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Sample records for fuel-cladding chemical interaction

  1. Fuel-cladding chemical interaction

    International Nuclear Information System (INIS)

    Gueneau, C.; Piron, J.P.; Dumas, J.C.; Bouineau, V.; Iglesias, F.C.; Lewis, B.J.

    2015-01-01

    The chemistry of the nuclear fuel is very complex. Its chemical composition changes with time due to the formation of fission products and depends on the temperature level history within the fuel pellet and the clad during operation. Firstly, in thermal reactors, zircaloy oxidation from reaction with UO 2 fuel under high-temperature conditions will be addressed. Then other fuel-cladding interaction phenomena occurring in fast reactors will be described. Large thermal gradients existing between the centre and the periphery of the pellet induce the radial redistribution of the fuel constituents. The fuel pellet can react with the clad by different corrosion processes which can involve actinide and/or fission product transport via gas, liquid or/and solid phases. All these phenomena are briefly described in the case of different kinds of fuels (oxide, carbide, nitride, metallic) to be used in fast reactors. The way these phenomena are taken into account in fuel performance codes is presented. (authors)

  2. Mechanisms of fuel-cladding chemical interaction: US interpretation

    International Nuclear Information System (INIS)

    Adamson, M.G.

    1977-01-01

    Proposed mechanisms of fuel-cladding chemical interaction (FCCI) in LMFBR fuel pins are reviewed and examined in terms of in-pile and out-of-pile data. From this examination several factors are identified which may govern the occurrence of localized deep intergranular penetrations of Type-316SS cladding. Using a plausible mechanistic hypothesis for FCCI, first steps have been taken towards developing a quantitative, physically-meaningful, mathematical method of predicting cladding wastage in operating fuel pins. Both kinetic and thermodynamic aspects of FCCI are considered in the development of this prediction method, together with a fuel chemistry model that describes the evolution of thermochemical conditions at the fuel-cladding gap. On the basis of results from recent fuel pin and laboratory tests a thermal transport mechanism has been proposed to explain the thermal gradient-induced migration of Fe, Cr, and Ni from cladding into the fuel. This mechanism involves chemical transport of the metallic cladding components (as tellurides) in liquid Cs-Te. (author)

  3. Mechanisms of fuel-cladding chemical interaction: US interpretation

    Energy Technology Data Exchange (ETDEWEB)

    Adamson, M G [General Electric Company, Vallecitos Nuclear Center, Pleasanton, CA (United States)

    1977-04-01

    Proposed mechanisms of fuel-cladding chemical interaction (FCCI) in LMFBR fuel pins are reviewed and examined in terms of in-pile and out-of-pile data. From this examination several factors are identified which may govern the occurrence of localized deep intergranular penetrations of Type-316SS cladding. Using a plausible mechanistic hypothesis for FCCI, first steps have been taken towards developing a quantitative, physically-meaningful, mathematical method of predicting cladding wastage in operating fuel pins. Both kinetic and thermodynamic aspects of FCCI are considered in the development of this prediction method, together with a fuel chemistry model that describes the evolution of thermochemical conditions at the fuel-cladding gap. On the basis of results from recent fuel pin and laboratory tests a thermal transport mechanism has been proposed to explain the thermal gradient-induced migration of Fe, Cr, and Ni from cladding into the fuel. This mechanism involves chemical transport of the metallic cladding components (as tellurides) in liquid Cs-Te. (author)

  4. Fuel-cladding chemical interaction in mixed-oxide fuels

    International Nuclear Information System (INIS)

    Lawrence, L.A.; Weber, J.W.; Devary, J.L.

    1978-10-01

    The character and extent of fuel-cladding chemical interaction (FCCI) was established for UO 2 -25 wt% PuO 2 clad with 20% cold worked Type 316 stainless steel irradiated at high cladding temperatures to peak burnups greater than 8 atom %. The data base consists of 153 data sets from fuel pins irradiated in EBR-II with peak burnups to 9.5 atom %, local cladding inner surface temperatures to 725 0 C, and exposure times to 415 equivalent full power days. As-fabricated oxygen-to-metal ratios (O/M) ranged from 1.938 to 1.984 with the bulk of the data in the range 1.96 to 1.98. HEDL P-15 pins provided data at low heat rates, approx. 200 W/cm, and P-23 series pins provided data at higher heat rates, approx. 400 W/cm. A design practice for breeder reactors is to consider an initial reduction of 50 microns in cladding thickness to compensate for possible FCCI. This approach was considered to be a conservative approximation in the absence of a comprehensive design correlation for extent of interaction. This work provides to the designer a statistically based correlation for depth of FCCI which reflects the influences of the major fuel and operating parameters on FCCI

  5. Fuel clad chemical interactions in fast reactor MOX fuels

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, R., E-mail: rvis@igcar.gov.in

    2014-01-15

    Clad corrosion being one of the factors limiting the life of a mixed-oxide fast reactor fuel element pin at high burn-up, some aspects known about the key elements (oxygen, cesium, tellurium, iodine) in the clad-attack are discussed and many Fuel–Clad-Chemical-Interaction (FCCI) models available in the literature are also discussed. Based on its relatively superior predictive ability, the HEDL (Hanford Engineering Development Laboratory) relation is recommended: d/μm = ({0.507 ⋅ [B/(at.% fission)] ⋅ (T/K-705) ⋅ [(O/M)_i-1.935]} + 20.5) for (O/M){sub i} ⩽ 1.98. A new model is proposed for (O/M){sub i} ⩾ 1.98: d/μm = [B/(at.% fission)] ⋅ (T/K-800){sup 0.5} ⋅ [(O/M){sub i}-1.94] ⋅ [P/(W cm{sup −1})]{sup 0.5}. Here, d is the maximum depth of clad attack, B is the burn-up, T is the clad inner surface temperature, (O/M){sub i} is the initial oxygen-to-(uranium + plutonium) ratio, and P is the linear power rating. For fuels with [n(Pu)/n(M = U + Pu)] > 0.25, multiplication factors f are recommended to consider the potential increase in the depth of clad-attack.

  6. General considerations on the oxide fuel-cladding chemical interaction

    International Nuclear Information System (INIS)

    Pascard, R.

    1977-01-01

    Since the very first experimental irradiations in thermal reactors, performed in view of the future Rapsodie fuel general study, corrosion cladding anomalies were observed. After 10 years of Rapsodie and more than two years of Phenix, performance brought definite confirmation of the chemical reactions between the irradiated fuel and cladding. That is the reason for which the fuel designers express an urgent need for determining the corrosion rates. Semi-empirical laws and mechanisms describing corrosion processes are proposed. Erratic conditions for appearance of the oxide-cladding corrosion are stressed upon. Obviously such a problem can be fully appreciated only by a statistical approach based on a large number of observations on the true LMFBR fuel pins

  7. Implications and control of fuel-cladding chemical interaction for LMFBR fuel pin design

    International Nuclear Information System (INIS)

    Roake, W.E.

    1977-01-01

    Fuel-cladding-chemical-interaction (FCCI) is typically incorporated into the design of an LMFBR fuel pin as a wastage allowance. Several interrelated factors are considered during the evolution of an LMFBR fuel pin design. Those which are indirectly affected by FCCI include: allowable pin power, fuel restructuring, fission gas migration and release from the fuel, fuel cracking, fuel swelling, in-reactor cladding creep, cladding swelling, and the cladding mechanical strain. Chemical activity of oxygen is the most readily controlled factor in FCCI. Two methods are being investigated: control of total oxygen inventory by limiting fuel O/M, and control of oxygen activity with buffer metals

  8. Implications and control of fuel-cladding chemical interaction for LMFBR fuel pin design

    Energy Technology Data Exchange (ETDEWEB)

    Roake, W E [Westinghouse-Hanford Co., Richland, WA (United States)

    1977-04-01

    Fuel-cladding-chemical-interaction (FCCI) is typically incorporated into the design of an LMFBR fuel pin as a wastage allowance. Several interrelated factors are considered during the evolution of an LMFBR fuel pin design. Those which are indirectly affected by FCCI include: allowable pin power, fuel restructuring, fission gas migration and release from the fuel, fuel cracking, fuel swelling, in-reactor cladding creep, cladding swelling, and the cladding mechanical strain. Chemical activity of oxygen is the most readily controlled factor in FCCI. Two methods are being investigated: control of total oxygen inventory by limiting fuel O/M, and control of oxygen activity with buffer metals.

  9. Development of Cr Electroplated Cladding Tube for preventing Fuel-Cladding Chemical Interaction (FCCI)

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jun Hwan; Woo, Je Woong; Kim, Sung Ho; Cheon, Jin Sik; Lee, Byung Oon; Lee, Chan Bock [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    Metal fuel has been selected as a candidate fuel in the SFR because of its superior thermal conductivity as well as enhanced proliferation resistance in connection with the pyroprocessing. However, metal fuel suffers eutectic reaction (Fuel Cladding Chemical Interaction, FCCI) with the fuel cladding made of stainless steel at reactor operating temperature so that cladding thickness gradually reduces to endanger reactor safety. In order to mitigate FCCI, barrier concept has been proposed between the fuel and the cladding in designing fuel rod. Regarding this, KAERI has initiated barrier cladding development to prevent interdiffusion process as well as enhance the SFR fuel performance. Previous study revealed that Cr electroplating has been selected as one of the most promising options because of its technical and economic viability. This paper describes the development status of the Cr electroplating technology for the usage of fuel rod in SFR. This paper summarizes the status of Cr electroplating technology to prevent FCCI in metal fuel rod. It has been selected for the ease of practical application at the tube inner surface. Technical scoping, performance evaluation and optimization have been carried out. Application to the tube inner surface and in-pile test were conducted which revealed as effective.

  10. Status Report on the Fabrication of Fuel Cladding Chemical Interaction Test Articles for ATR Irradiations

    Energy Technology Data Exchange (ETDEWEB)

    Field, Kevin G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Howard, Richard H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-09-28

    FeCrAl alloys are a promising new class of alloys for light water reactor (LWR) applications due to their superior oxidation and corrosion resistance in high temperature environments. The current R&D efforts have focused on the alloy composition and processing routes to generate nuclear grade FeCrAl alloys with optimized properties for enhanced accident tolerance while maintaining properties needed for normal operation conditions. Therefore, the composition and processing routes must be optimized to maintain the high temperature steam oxidation (typically achieved by increasing the Cr and Al content) while still exhibiting properties conducive to normal operation in a LWR (such as radiation tolerance where reducing Cr content is favorable). Within this balancing act is the addition of understanding the influence on composition and processing routes on the FeCrAl alloys for fuel-cladding chemical interactions (FCCI). Currently, limited knowledge exists on FCCI for the FeCrAl-UO2 clad-fuel system. To overcome the knowledge gaps on the FCCI for the FeCrAl-UO2 clad-fuel system a series of fueled irradiation tests have been developed for irradiation in the Advanced Test Reactor (ATR) housed at the Idaho National Laboratory (INL). The first series of tests has already been reported. These tests used miniaturized 17x17 PWR fuel geometry rodlets of second-generation FeCrAl alloys fueled with industrial Westinghouse UO2 fuel. These rodlets were encapsulated within a stainless steel housing.To provide high fidelity experiments and more robust testing, a new series of rodlets have been developed deemed the Accident Tolerant Fuel Experiment #1 Oak Ridge National Laboratory FCCI test (ATF-1 ORNL FCCI). The main driving factor, which is discussed in detail, was to provide a radiation environment where prototypical fuel-clad interface temperatures are met while still maintaining constant contact between industrial fuel and the candidate cladding alloys

  11. Development of Diffusion barrier coatings and Deposition Technologies for Mitigating Fuel Cladding Chemical Interactions (FCCI)

    Energy Technology Data Exchange (ETDEWEB)

    Sridharan, Kumar; Allen, Todd; Cole, James

    2013-02-27

    The goal of this project is to develop diffusion barrier coatings on the inner cladding surface to mitigate fuel-cladding chemical interaction (FCCI). FCCI occurs due to thermal and radiation enhanced inter-diffusion between the cladding and fuel materials, and can have the detrimental effects of reducing the effective cladding wall thickness and lowering the melting points of the fuel and cladding. The research is aimed at the Advanced Burner Reactor (ABR), a sodium-cooled fast reactor, in which higher burn-ups will exacerbate the FCCI problem. This project will study both diffusion barrier coating materials and deposition technologies. Researchers will investigate pure vanadium, zirconium, and titanium metals, along with their respective oxides, on substrates of HT-9, T91, and oxide dispersion-strengthened (ODS) steels; these materials are leading candidates for ABR fuel cladding. To test the efficacy of the coating materials, the research team will perform high-temperature diffusion couple studies using both a prototypic metallic uranium fuel and a surrogate the rare-earth element lanthanum. Ion irradiation experiments will test the stability of the coating and the coating-cladding interface. A critical technological challenge is the ability to deposit uniform coatings on the inner surface of cladding. The team will develop a promising non-line-of-sight approach that uses nanofluids . Recent research has shown the feasibility of this simple yet novel approach to deposit coatings on test flats and inside small sections of claddings. Two approaches will be investigated: 1) modified electrophoretic deposition (MEPD) and 2) boiling nanofluids. The coatings will be evaluated in the as-deposited condition and after sintering.

  12. In-reactor performance of methods to control fuel-cladding chemical interaction

    International Nuclear Information System (INIS)

    Weber, E.T.; Gibby, R.L.; Wilson, C.N.; Lawrence, L.A.; Adamson, M.G.

    1979-01-01

    Inner surface corrosion of austenitic stainless steel cladding by oxygen and reactive fission product elements requires a 50 μm wastage allowance in current FBR reference oxide fuel pin design. Elimination or reduction of this wastage allowance could result in better reactor efficiency and economics through improvements in fuel pin performance and reliability. Reduction in cladding thickness and replacement of equivalent volume with fuel result in improved breeding capability. Of the factors affecting fuel-cladding chemical interaction (FCCI), oxygen activity within the fuel pin can be most readily controlled and/or manipulated without degrading fuel pin performance or significantly increasing fuel fabrication costs. There are two major approaches to control oxygen activity within an oxide fuel pin: (1) control of total oxygen inventory and chemical activity (Δ anti GO 2 ) by use of low oxygen-to-metal ratio (O/M) fuel; and (2) incorporation of a material within the fuel pin to provide in-situ control of oxygen activity (Δ anti GO 2 ) and fixation of excess oxygen prior to, or in preference to reaction with the cladding. The paper describes irradiation tests which were conducted in EBR-II and GETR incorporating oxygen buffer/getter materials and very low O/M fuel to control oxygen activity in sealed fuel pins

  13. Vanadium diffusion coating on HT-9 cladding for mitigating the fuel cladding chemical interactions

    Science.gov (United States)

    Lo, Wei-Yang; Yang, Yong

    2014-08-01

    Fuel cladding chemical interaction (FCCI) has been identified as one of the crucial issues for developing Ferritic/Martensitic (F/M) stainless steel claddings for metallic fuels in a fast reactor. The anticipated elevated temperature and high neutron flux can significantly aggravate the FCCI, in terms of formation of inter-diffusion and lower melting point eutectic phases. To mitigate the FCCI, vanadium carbide coating as a diffusion barrier was deposited on the HT-9 substrate using a pack cementation diffusion coating (PCDC) method, and the processing temperature was optimized down to 730 °C. A solid metallurgical bonding between the coating layer and substrate was achieved, and the coating is free from through depth cracks. The microstructural characterizations using SEM and TEM show a nanostructured grain structure. EDS/WDS and XRD analysis confirm the phase of coating layer as V2C. Diffusion couple tests at 660 °C for 100 h demonstrate that V2C layer with a thickness of less than 5 μm can effectively eliminate the inter-diffusion between the lanthanide cerium and HT-9 steel.

  14. Vanadium diffusion coating on HT-9 cladding for mitigating the fuel cladding chemical interactions

    Energy Technology Data Exchange (ETDEWEB)

    Lo, Wei-Yang; Yang, Yong, E-mail: yongyang@ufl.edu

    2014-08-01

    Fuel cladding chemical interaction (FCCI) has been identified as one of the crucial issues for developing Ferritic/Martensitic (F/M) stainless steel claddings for metallic fuels in a fast reactor. The anticipated elevated temperature and high neutron flux can significantly aggravate the FCCI, in terms of formation of inter-diffusion and lower melting point eutectic phases. To mitigate the FCCI, vanadium carbide coating as a diffusion barrier was deposited on the HT-9 substrate using a pack cementation diffusion coating (PCDC) method, and the processing temperature was optimized down to 730 °C. A solid metallurgical bonding between the coating layer and substrate was achieved, and the coating is free from through depth cracks. The microstructural characterizations using SEM and TEM show a nanostructured grain structure. EDS/WDS and XRD analysis confirm the phase of coating layer as V{sub 2}C. Diffusion couple tests at 660 °C for 100 h demonstrate that V{sub 2}C layer with a thickness of less than 5 μm can effectively eliminate the inter-diffusion between the lanthanide cerium and HT-9 steel.

  15. Out-of-pile experiments of fuel-cladding chemical interaction, (2)

    International Nuclear Information System (INIS)

    Konashi, Kenji; Yato, Tadao; Kaneko, Hiromitsu; Honda, Yutaka

    1980-01-01

    Cesium seems to be one of the most important fission products in the fuel-cladding chemical interaction of fuel pins for LMFBRs. However the FCCI under irradiation cannot always be explained by considering only cesium-oxygen system as the corrosive, since attack does not occur in the cesium-oxygen system unless oxygen potential is sufficiently high. Cesium-tellurium-oxygen system has been proposed to account for heavy cladding attack which was sometimes found in hypostoichiometric mixed oxide fuel pins. In this paper, the experiment on the reaction of liquid tellurium with stainless steel is reported. The type 316 stainless steel claddings for Monju type fuel pins were used as the test specimens. Tellurium was contained into the cladding tubes with end plugs. The temperature dependence of the attack by tellurium was examined in the range from 450 to 900 deg C for 30 min, and the heating time dependence was examined from 5 min to 200 hr at 725 deg C. An infrared lamp furnace was used for the experiment within 7 hr, and a resistance furnace for longer experiment. The character of corrosion was matrix attack, and the reaction products on the stainless steel surfaces consisted of chrome rich inner phase and iron and nickel rich outer phase. The results are reported. (Kako, I.)

  16. High Temperature Fuel Cladding Chemical Interactions Between TRIGA Fuels and 304 Stainless Steel

    Energy Technology Data Exchange (ETDEWEB)

    Perez, Emmanuel [Idaho National Lab. (INL), Idaho Falls, ID (United States); Keiser, Jr., Dennis D. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Forsmann, Bryan [Boise State Univ., ID (United States); Janney, Dawn E. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Henley, Jody [Idaho National Lab. (INL), Idaho Falls, ID (United States); Woolstenhulme, Eric C. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-02-01

    High-temperature fuel-cladding chemical interactions (FCCI) between TRIGA (Training, Research, Isotopes, General Atomics) fuel elements and the 304 stainless steel (304SS) are of interest to develop an understanding of the fuel behavior during transient reactor scenarios. TRIGA fuels are composed of uranium (U) particles dispersed in a zirconium-hydride (Zr-H) matrix. In reactor, the fuel is encased in 304-stainless-steel (304SS) or Incoloy 800 clad tubes. At high temperatures, the fuel can readily interact with the cladding, resulting in FCCI. A number of FCCI can take place in this system. Interactions can be expected between the cladding and the Zr-H matrix, and/or between the cladding and the U-particles. Other interactions may be expected between the Zr-H matrix and the U-particles. Furthermore, the fuel contains erbium-oxide (Er-O) additions. Interactions can also be expected between the Er-O, the cladding, the Zr-H and the U-particles. The overall result is that very complex interactions may take place as a result of fuel and cladding exposures to high temperatures. This report discusses the characterization of the baseline fuel microstructure in the as-received state (prior to exposure to high temperature), characterization of the fuel after annealing at 950C for 24 hours and the results from diffusion couple experiments carries out at 1000C for 5 and 24 hours. Characterization was carried out via scanning electron microscopy (SEM) and transmission electron microscopy (TEM) with sample preparation via focused ion beam in situ-liftout-technique.

  17. High Temperature Fuel Cladding Chemical Interactions Between TRIGA Fuels and 304 Stainless Steel

    International Nuclear Information System (INIS)

    Perez, Emmanuel; Keiser Jr, Dennis D.; Forsmann, Bryan; Janney, Dawn E.; Henley, Jody; Woolstenhulme, Eric C.

    2016-01-01

    High-temperature fuel-cladding chemical interactions (FCCI) between TRIGA (Training, Research, Isotopes, General Atomics) fuel elements and the 304 stainless steel (304SS) are of interest to develop an understanding of the fuel behavior during transient reactor scenarios. TRIGA fuels are composed of uranium (U) particles dispersed in a zirconium-hydride (Zr-H) matrix. In reactor, the fuel is encased in 304-stainless-steel (304SS) or Incoloy 800 clad tubes. At high temperatures, the fuel can readily interact with the cladding, resulting in FCCI. A number of FCCI can take place in this system. Interactions can be expected between the cladding and the Zr-H matrix, and/or between the cladding and the U-particles. Other interactions may be expected between the Zr-H matrix and the U-particles. Furthermore, the fuel contains erbium-oxide (Er-O) additions. Interactions can also be expected between the Er-O, the cladding, the Zr-H and the U-particles. The overall result is that very complex interactions may take place as a result of fuel and cladding exposures to high temperatures. This report discusses the characterization of the baseline fuel microstructure in the as-received state (prior to exposure to high temperature), characterization of the fuel after annealing at 950C for 24 hours and the results from diffusion couple experiments carries out at 1000C for 5 and 24 hours. Characterization was carried out via scanning electron microscopy (SEM) and transmission electron microscopy (TEM) with sample preparation via focused ion beam in situ-liftout-technique.

  18. Analysis of fuel cladding chemical interaction in mixed oxide fuel pins

    International Nuclear Information System (INIS)

    Weber, J.W.; Dutt, D.S.

    1976-01-01

    An analysis is presented of the observed interaction between mixed oxide 75 wt percent UO 2 --25 wt percent PuO 2 fuel and 316--20 percent CW stainless steel cladding in LMFBR type fuel pins irradiated in EBR-II. A description is given of the test pins and their operating conditions together with, metallographic observations and measurements of the fuel/cladding reaction, and a correlation equation is developed relating depth of cladding attack to temperature and burnup. Some recent data on cladding reaction in fuel pins with low initial O/M in the fuel are given and compared with the correlation equation curves

  19. Investigations of fuel cladding chemical interaction in irradiated LMFBR type oxide fuel pins

    International Nuclear Information System (INIS)

    Roake, W.E.; Adamson, M.G.; Hilbert, R.F.; Langer, S.

    1977-01-01

    Understanding and controlling the chemical attack of fuel pin cladding by fuel and fission products are major objectives of the U.S. LMFBR Mixed Oxide Irradiation Testing Program. Fuel-cladding chemical interaction (FCCI) has been recognized as an important factor in the ability to achieve goal peak burnups of 8% (80.MWd/kg) in FFTF and in excess of 10% (100.MWd/kg) in the LMFBR demonstration reactors while maintaining coolant bulk outlet temperatures up to ∼60 deg. C (1100 deg. F). In this paper we review pertinent parts of the irradiation program and describe recent observation of FCCI in the fuel pins of this program. One goal of the FCCI investigations is to obtain a sufficiently quantitative understanding of FCCI such that correlations can be developed relating loss of effective cladding thickness to irradiation and fuel pin fabrication parameters. Wastage correlations being developed using different approaches are discussed. Much of the early data on FCCI obtained in the U.S. Mixed Oxide Fuel Program came from capsule tests irradiated in both fast and thermal flux facilities. The fast flux irradiated encapsulated fuel pins continue to provide valuable data and insight into FCCI. Currently, however, bare pins with prototypic fuels and cladding irradiated in the fast flux Experimental Breeder Reactor-II (EBR-II) as multiple pin assemblies under prototypic powers, temperatures and thermal gradients are providing growing quantities of data on FCCI characteristics and cladding thickness losses from FCCI. A few special encapsulated fuel pin tests are being conducted in the General Electric Test Reactor (GETR) and EBR-II, but these are aimed at providing specific information under irradiation conditions not achievable in the fast flux bare pin assemblies or because EBR-II Operation or Safety requirements dictate that the pins be encapsulated. The discussion in this paper is limited to fast flux irradiation test results from encapsulated pins and multiple pin

  20. Investigations of fuel cladding chemical interaction in irradiated LMFBR type oxide fuel pins

    Energy Technology Data Exchange (ETDEWEB)

    Roake, W E [Westinghouse-Hanford Co., Richland, WA (United States); Adamson, M G [General Electric Company, Vallecitos Nuclear Center, Pleasanton, CA (United States); Hilbert, R F; Langer, S

    1977-04-01

    Understanding and controlling the chemical attack of fuel pin cladding by fuel and fission products are major objectives of the U.S. LMFBR Mixed Oxide Irradiation Testing Program. Fuel-cladding chemical interaction (FCCI) has been recognized as an important factor in the ability to achieve goal peak burnups of 8% (80.MWd/kg) in FFTF and in excess of 10% (100.MWd/kg) in the LMFBR demonstration reactors while maintaining coolant bulk outlet temperatures up to {approx}60 deg. C (1100 deg. F). In this paper we review pertinent parts of the irradiation program and describe recent observation of FCCI in the fuel pins of this program. One goal of the FCCI investigations is to obtain a sufficiently quantitative understanding of FCCI such that correlations can be developed relating loss of effective cladding thickness to irradiation and fuel pin fabrication parameters. Wastage correlations being developed using different approaches are discussed. Much of the early data on FCCI obtained in the U.S. Mixed Oxide Fuel Program came from capsule tests irradiated in both fast and thermal flux facilities. The fast flux irradiated encapsulated fuel pins continue to provide valuable data and insight into FCCI. Currently, however, bare pins with prototypic fuels and cladding irradiated in the fast flux Experimental Breeder Reactor-II (EBR-II) as multiple pin assemblies under prototypic powers, temperatures and thermal gradients are providing growing quantities of data on FCCI characteristics and cladding thickness losses from FCCI. A few special encapsulated fuel pin tests are being conducted in the General Electric Test Reactor (GETR) and EBR-II, but these are aimed at providing specific information under irradiation conditions not achievable in the fast flux bare pin assemblies or because EBR-II Operation or Safety requirements dictate that the pins be encapsulated. The discussion in this paper is limited to fast flux irradiation test results from encapsulated pins and multiple pin

  1. Out-of-pile experiments performed in the U.S. Fuel Cladding Chemical Interaction (FCCI) program

    Energy Technology Data Exchange (ETDEWEB)

    Adamson, M G [General Electric Company, Vallecitos Nuclear Center, Pleasanton, CA (United States)

    1977-04-01

    Since 1972 a variety of out-of-pile experiments have been performed as part of the U.S. National Fuel-Cladding Chemical Interaction (FCCI) Program. In the present paper results from these experiments are presented together with descriptions of many of the experimental techniques employed to obtain them. Although the main emphasis of the paper is on experiments designed to characterize FCCI with Type-316-SS cladding, considerable attention is also paid to the following FCCI-related topics: thermodynamics of and phase equilibria in mixed oxide fuel and fission product compounds, fission product and cladding component thermo-transport, and chemical behavior of candidate oxygen-absorber materials (buffer/getters). Detailed interpretations of these results in terms of FCCI mechanisms are presented in a companion paper. (author)

  2. Investigation on fuel-cladding chemical interaction in metal fuel for FBR

    International Nuclear Information System (INIS)

    Inagaki, Kenta; Nakamura, Kinya; Ogata, Takanari; Uwaba, Tomoyuki

    2013-01-01

    During steady-state irradiation of metallic fuel in fast reactors, rare-earth fission products can react with stainless steel cladding at the fuel-cladding interface. The authors conducted isothermal annealing tests with some diffusion couples to investigate the structure of the wastage layer formed at the interface. Candidate cladding alloys, ferritic-martensitic steel (PNC-FMS) and oxide-dispersion-strengthened (ODS) steel were assembled with rare-earth alloys, RE5 : La-Ce-Pr-Nd-Sm, which simulate the fission yield of rare-earth fission products. The diffusion couples were isothermally annealed in the temperature range of 500-650°C for up to 170 h. In both RE5/ODS-steel and RE5/PNC-FMS couples, the wastage layer of the two-phase region of the (Fe, Cr) 17 RE 2 matrix phase with the precipitation of the (Fe, RE, Cr) phase was formed. The structure was similar to that formed in RE5/Fe-12Cr and RE5/HT9 couples, which implies that the reaction between REs and steel is not significantly influenced by the minor alloying elements within the candidate cladding materials. It was also clarified that the increase in the wastage layer thickness was diffusion-controlled. The temperature dependence of the reaction rate constants were formulated, which can be the basis for the quantification of the wastage layer growth. (author)

  3. Fuel cladding mechanical interaction during power ramps

    International Nuclear Information System (INIS)

    Guerin, Y.

    1985-01-01

    Mechanical interaction between fuel and cladding may occur as a consequence of two types of phenomenon: i) fuel swelling especially at levels of caesium accumulation, and ii) thermal differential expansion during power changes. Slow overpower ramps which may occur during incidental events are of course one of the circumstances responsible for this second type of fuel cladding mechanical interaction (FCMI). Experiments and analysis of this problem that have been done at C.E.A. allow to determine the main parameters which will fix the level of stress and the risk of damage induced by the fuel in the cladding during overpower transients

  4. Fuel-cladding chemical interaction correlation for mixed-oxide fuel pins

    International Nuclear Information System (INIS)

    Lawrence, L.A.

    1986-10-01

    A revised wastage correlation was developed for FCCI with fabrication and operating parameters. The expansion of the data base to 305 data sets provided sufficient data to employ normal statistical techniques for calculation of confidence levels without unduly penalizing predictions. The correlation based on 316 SS cladding also adequately accounts for limited measured depths of interaction for fuel pins with D9 and HTq cladding

  5. Investigation on fuel-cladding chemical interaction in metal fuel for FBR. Reaction of rare earth elements with Fe-Cr alloy

    International Nuclear Information System (INIS)

    Inagaki, Kenta; Ogata, Takanari

    2010-01-01

    Rare-earth fission product (FP) elements generated in the metal fuel interact with cladding alloy and result in the wastage of the cladding (Fuel-Cladding Chemical Interaction (FCCI)). To evaluate FCCI quantitatively, several influential factors must be considered. They are temperature, temperature gradient, time, composition of the cladding and the behavior of rare-earth FP. In this research, the temperature and time dependencies are investigated with tests in the simplified system. Fe-12wt%Cr was used as stimulant material of cladding and rare-earth alloy 13La -24Ce -12Pr -39Nd -12Sm (RE) as a rare-earth FP. A diffusion couple Fe-Cr/RE was made and annealed at 923K, 853K, 773K or 693K. The structures of reaction layers were analyzed with Electron Probe Micro Analyzer (EPMA) and the details of the structures were clarified. The width of the reaction layer in the Fe-Cr alloy grew in proportion to the square root of time. The reaction rate constants K=(square of the width of reaction layer / time) were evaluated. It was confirmed that the relation between K and the inverse of the temperature showed linearity above 773 K. (author)

  6. Experimental assessment of fuel-cladding interactions

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Elizabeth Sooby [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-06-29

    A range of fuel concepts designed to better tolerate accident scenarios and reactor transients are currently undergoing fundamental development at national laboratories as well as university and industrial partners. Pellet-clad mechanical and chemical interaction can be expected to affect fuel failure rates experienced during steady state operation, as well as dramatically impact the response of the fuel form under loss of coolant and other accident scenarios. The importance of this aspect of fuel design prompted research initiated by AFC in FY14 to begin exploratory efforts to characterize this phenomenon for candidate fuelcladding systems of immediate interest. Continued efforts in FY15 and FY17 aimed to better understand and simulate initial pellet-clad interaction with little-to-no pressure on the pellet-clad interface. Reported here are the results from 1000 h heat treatments at 400, 500, and 600°C of diffusion couples pairing UN with a FeCrAl alloy, SiC, and Zr-based cladding candidate sealed in evacuated quartz ampoules. No gross reactions were observed, though trace elemental contaminants were identified.

  7. Innovative coating of nanostructured vanadium carbide on the F/M cladding tube inner surface for mitigating the fuel cladding chemical interactions

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yong [Univ. of Florida, Gainesville, FL (United States); Phillpot, Simon [Univ. of Florida, Gainesville, FL (United States)

    2017-11-29

    Fuel cladding chemical interactions (FCCI) have been acknowledged as a critical issue in a metallic fuel/steel cladding system due to the formation of low melting intermetallic eutectic compounds between the fuel and cladding steel, resulting in reduction in cladding wall thickness as well as a formation of eutectic compounds that can initiate melting in the fuel at lower temperature. In order to mitigate FCCI, diffusion barrier coatings on the cladding inner surface have been considered. In order to generate the required coating techniques, pack cementation, electroplating, and electrophoretic deposition have been investigated. However, these methods require a high processing temperature of above 700 oC, resulting in decarburization and decomposition of the martensites in a ferritic/martensitic (F/M) cladding steel. Alternatively, organometallic chemical vapor deposition (OMCVD) can be a promising process due to its low processing temperature of below 600 oC. The aim of the project is to conduct applied and fundamental research towards the development of diffusion barrier coatings on the inner surface of F/M fuel cladding tubes. Advanced cladding steels such as T91, HT9 and NF616 have been developed and extensively studied as advanced cladding materials due to their excellent irradiation and corrosion resistance. However, the FCCI accelerated by the elevated temperature and high neutron exposure anticipated in fast reactors, can have severe detrimental effects on the cladding steels through the diffusion of Fe into fuel and lanthanides towards into the claddings. To test the functionality of developed coating layer, the diffusion couple experiments were focused on using T91 as cladding and Ce as a surrogate lanthanum fission product. By using the customized OMCVD coating equipment, thin and compact layers with a few micron between 1.5 µm and 8 µm thick and average grain size of 200 nm and 5 µm were successfully obtained at the specimen coated between 300oC and

  8. State-of-the-technology review of fuel-cladding interaction

    International Nuclear Information System (INIS)

    Bailey, W.J.; Wilson, C.L.; MacGowan, L.J.; Pankaskie, P.J.

    1977-12-01

    A literature survey and a summarization of postulated fuel-cladding-interaction mechanisms and associated supportive data are reported. The results of that activity are described in the report and include comments on experience with power-ramped fuel, fuel-cladding mechanical interaction, stress-corrosion cracking and fission-product embrittlement, potential remedial actions, fuel-cladding-interaction mechanistic considerations, other ongoing programs, and related patents of interest. An assessment of the candidate fuel concepts to be evaluated as part of this program is provided

  9. Fuel-cladding interaction. Framatome CEA experiment on pencils preirradiated in nuclear power plants

    International Nuclear Information System (INIS)

    Atabek, Rosemarie; Vignesoult, Nicole

    1979-01-01

    The study of the fuel-cladding interaction is the subject of an important joint research programme between Framatome and the CEA. Tests are performed either on whole fuel rods, not exceeding two metres in length, from BR3 or the CAP (PRISCA experiment) or on fuel rods refabricated in hot cells from fuel rods of power reactors (FABRICE experiment). The first results reveal the two mechanical and chemical aspects of the interaction phenomenon: the permissible power surge of the fuel elements passes through a minimum for an integrated fast dose (E>1MeV) of around 1.5x10 21 n/cm 2 ; a study made with the electronic microprobe and the scanning microscope shows that the Te, I and Cs fission products are the corrosive agents of the cladding [fr

  10. Raman and XPS characterization of fuel-cladding interactions using miniature specimens

    International Nuclear Information System (INIS)

    Windisch, C.F.; Henager, C.H.; Engelhard, M.H.; Bennett, W.D.

    2009-01-01

    A combination of laser Raman spectroscopy and X-ray photoelectron spectroscopy was applied in a study of fuel-cladding chemical interactions on miniature oxide-coated HT-9 disks at elevated temperature. The experiments were intended as a preliminary step toward the development of a quick-screening technique for candidate alloys for cladding materials and actinide-based mixed oxide fuel mixtures. The results indicated that laser Raman spectroscopy was capable of determining the major oxides on HT-9 and how they changed in composition due to heating. However, X-ray photoelectron spectroscopy was necessary to identify the role of the metallic phases and provide depth resolution. Using the two techniques the kinetics of chromia growth were shown to be affected by the presence of an applied oxide coating. A single replacement reaction involving residual reduced metal within the coating was also identified

  11. Fuel-cladding mechanical interaction effects in fast reactor mixed oxide fuel

    Energy Technology Data Exchange (ETDEWEB)

    Boltax, A [Westinghouse Electric Corporation, Advanced Reactor Division, Madison, PA (United States); Biancheria, A

    1977-04-01

    Thermal and fast reactor irradiation experiments on mixed oxide fuel pins under steady-state and power change conditions reveal evidence for significant fuel-cladding mechanical interaction (FCMI) effects. Analytical studies with the LIFE-III fuel performance code indicate that high cladding stresses can be produced by general and local FCMI effects. Also, evidence is presented to show that local cladding strains can be caused by the accumulation of cesium at the fuel-cladding interface. Although it is apparent that steady-state FCMI effects have not given rise to cladding breaches in current fast reactors, it is anticipated that FCMI may become more important in the future because of interest in: higher fuel burnups; increased power ramp rates; load follow operation; and low swelling cladding alloys. (author)

  12. Fuel-cladding mechanical interaction effects in fast reactor mixed oxide fuel

    International Nuclear Information System (INIS)

    Boltax, A.; Biancheria, A.

    1977-01-01

    Thermal and fast reactor irradiation experiments on mixed oxide fuel pins under steady-state and power change conditions reveal evidence for significant fuel-cladding mechanical interaction (FCMI) effects. Analytical studies with the LIFE-III fuel performance code indicate that high cladding stresses can be produced by general and local FCMI effects. Also, evidence is presented to show that local cladding strains can be caused by the accumulation of cesium at the fuel-cladding interface. Although it is apparent that steady-state FCMI effects have not given rise to cladding breaches in current fast reactors, it is anticipated that FCMI may become more important in the future because of interest in: higher fuel burnups; increased power ramp rates; load follow operation; and low swelling cladding alloys. (author)

  13. Effect of chemical composition on corrosion resistance of Zircaloy fuel cladding tube for BWR

    International Nuclear Information System (INIS)

    Inagaki, Masahisa; Akahori, Kimihiko; Kuniya, Jirou; Masaoka, Isao; Suwa, Masateru; Maru, Akira; Yasuda, Teturou; Maki, Hideo.

    1990-01-01

    Effects of Fe and Ni contents on nodular corrosion susceptibility and hydrogen pick-up of Zircaloy were investigated. Total number of 31 Zr alloys having different chemical compositions; five Zr-Sn-Fe-Cr alloys, eight Zr-Sn-Fe-Ni alloys and eighteen Zr-Sn-Fe-Ni-Cr alloys, were melted and processed to thin plates for the corrosion tests in the environments of a high temperature (510degC) steam and a high temperature (288degC) water. In addition, four 450 kg ingots of Zr-Sn-Fe-Ni-Cr alloys were industrially melted and BWR fuel cladding tubes were manufactured through a current material processing sequence to study their producibility, tensile properties and corrosion resistance. Nodular corrosion susceptibility decreased with increasing Fe and Ni contents of Zircaloys. It was seen that the improved Zircaloys having Fe and Ni contents in the range of 0.30 [Ni]+0.15[Fe]≥0.045 (w%) showed no susceptibility to nodular corrosion. An increase of Fe content resulted in a decrease of hydrogen pick-up fraction in both steam and water environments. An increase of Fe and Ni content of Zircaloys in the range of Fe≤0.25 w% and Ni≤0.1 w% did not cause the changes in tensile properties and fabricabilities of fuel cladding tube. The fuel cladding tube of improved Zircaloy, containing more amount of Fe and Ni than the upper limit of Zircaloy-2 specification showed no susceptibility to nodular corrosion even in the 530degC steam test. (author)

  14. Fuel cladding interaction with water coolant in power reactors

    International Nuclear Information System (INIS)

    1985-11-01

    Water coolant chemistry and corrosion processes are important factors in reliable operation of NPP's, as at elevated temperatures water is aggressive towards structural materials. Water regimes for commercial Pressurized Water Reactors and Boiling Water Reactors were developed and proved to be satisfactory. Nevertheless, studies of operation experience continue and an amount of new Research and Development work is being conducted for further improvements of technology and better understanding of the physicochemical nature of those processes. In this report information is presented on the IAEA programme on fuel element cladding interaction with water coolant. Some results of this survey and recommendations made by the group of consultants who participated in this work are given as well as recommendations for continuation of this study. Separate abstracts were prepared for 6 papers of this report

  15. Characterization and modeling of the thermal hydraulic and chemical environment of fuel claddings of PWR reactors during boiling

    International Nuclear Information System (INIS)

    March, Ph.

    1999-01-01

    In pressurised water reactors (PWR), nucleate boiling can strongly influence the oxidation rate of the fuel cladding. To improve our understanding of the effect of the boiling phenomenon on corrosion kinetics, information about the chemical and thermal hydraulic boundary conditions at the heating rod surface is needed. Moreover, very few data are available in the range of thermal hydraulic parameters of PWR cores (15,5 MPa and 340 deg C) concerning the two-phase flow pattern close to the fuel cladding. A visualization device has been adapted on an out-of-pile loop Reggae to obtain both qualitative and quantitative data. These observations provide a direct access to the geometrical properties of the vapor inclusions, the onset of nucleate boiling and the gas velocity and trajectory. An image processing method has been validated to measure both void fraction and interfacial area concentration in a bubbly two-phase flow. Thus, the visualization device proves to be a suitable and accurate instrumentation to characterize nucleate boiling in PWR conditions. The experimental results analysis indicates that a local approach is needed for the modelling of the fuel rod chemical environment. To simulate the chemical additives enrichment, a new model is proposed where the vapor bubbles are now considered as physical obstacles for the liquid access to the rod surface. The influence of the two-phase flow pattern appears to be of major importance for the enrichment phenomenon. This study clearly demonstrates the existence of strong interactions between the two-phase flow pattern, the rod surface condition, the corrosion process and the water chemistry. (author)

  16. Thermochemical aspects of fuel-cladding and fuel-coolant interactions in LMFBR oxide fuel pins

    International Nuclear Information System (INIS)

    Adamson, M.G.; Aitken, E.A.; Caputi, R.W.; Potter, P.E.; Mignanelli, M.A.

    1979-01-01

    This paper examines several thermochemical aspects of the fuel-cladding, fuel-coolant and fuel-fission product interactions that occur in LMFBR austenitic stainless steel-clad mixed (U,Pu)-oxide fuel pins during irradiation under normal operating conditions. Results are reported from a variety of high temperature EMF cell experiments in which continuous oxygen activity measurements on reacting and equilibrium mixtures of metal oxides and (excess) liquid alkali metal (Na, K, Cs) were performed. Oxygen potential and 0:M thresholds for Na-fuel reactions are re-evaluated in the light of new measurements and newly-assessed thermochemical data, and the influence on oxygen potential of possible U-Pu segregation between oxide and urano-plutonate (equilibrium) phases has been analyzed. (orig./RW) [de

  17. Advanced LWR Nuclear Fuel Cladding Development

    International Nuclear Information System (INIS)

    Bragg-Sitton, S.; Griffith, G.

    2012-01-01

    The Advanced Light Water Reactor (LWR) Nuclear Fuel Development Research and Development (R and D) Pathway encompasses strategic research focused on improving reactor core economics and safety margins through the development of an advanced fuel cladding system. To achieve significant operating improvements while remaining within safety boundaries, significant steps beyond incremental improvements in the current generation of nuclear fuel are required. Fundamental enhancements are required in the areas of nuclear fuel composition, cladding integrity, and fuel/cladding interaction to allow improved fuel economy via power uprates and increased fuel burn-up allowance while potentially improving safety margin through the adoption of an 'accident tolerant' fuel system that would offer improved coping time under accident scenarios. In a staged development approach, the LWRS program will engage stakeholders throughout the development process to ensure commercial viability of the investigated technologies. Applying minimum performance criteria, several of the top-ranked materials and fabrication concepts will undergo a rigorous series of mechanical, thermal and chemical characterization tests to better define their properties and operating potential in a relatively low-cost, nonnuclear test series. A reduced number of options will be recommended for test rodlet fabrication and in-pile nuclear testing under steady-state, transient and accident conditions. (author)

  18. Nuclear fuel cladding material

    International Nuclear Information System (INIS)

    Nakahigashi, Shigeo.

    1982-01-01

    Purpose: To largely improve the durability and the safety of fuel cladding material. Constitution: Diffusion preventive layers, e.g., aluminum or the like are covered on both sides of a zirconium alloy base layer of thin material, and corrosion resistant layers, e.g., copper or the like are covered thereon. This thin plate material is intimately wound in a circularly tubular shape in a plurality of layers to form a fuel cladding tube. With such construction, corrosion of the tube due to fuel and impurity can be prevented by the corrosion resistant layers, and the diffusion of the corrosion resistant material to the zirconium alloy can be prevented by the diffusion preventive layers. Since a plurality of layers are cladded, even if the corrosion resistant layers are damaged or cracked due to stress corrosion, only one layer is damaged or cracked, but the other layers are not affected. (Sekiya, K.)

  19. Chemical thermodynamics of the system Cs--U--Zr--H--I--O in the LWR fuel-clad gap

    International Nuclear Information System (INIS)

    Besmann, T.M.; Lindemer, T.B.

    1978-01-01

    Equilibrium thermodynamic calculations were performed on the are Cs-U-Zr-H-I-O system that is assumed to exist in the fuel-clad gap of light water reactor fuel under in-reactor, steam, and 50% steam--50% air conditions. The in-reactor oxygen potential is assumed to be controlled by UO/sub 2+x/ rather than Zr + ZrO 2 . Thus, the important condensed phases present are UO/sub 2+x/, Cs 2 UO 4 , and CsI, and the major gaseous species are Cs, CsI, and Cs 2 I 2 . The presence of steam does not alter the species present, although CsOH also becomes a major gaseous species. In a 50% steam--50% air mixture, the condensed phases U 3 O 8 or UO 3 , Cs 2 U 15 O 46 , and ZrI 3 or liquid ZrI 2 are present at equilibrium, and the gaseous species ZrI 2 , ZrI 3 , and ZrI 4 have large partial pressures

  20. Characterization of LWRS Hybrid SiC-CMC-Zircaloy-4 Fuel Cladding after Gamma Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Isabella J van Rooyen

    2012-09-01

    The purpose of the gamma irradiation tests conducted at the Idaho National Laboratory (INL) was to obtain a better understanding of chemical interactions and potential changes in microstructural properties of a mock-up hybrid nuclear fuel cladding rodlet design (unfueled) in a simulated PWR water environment under irradiation conditions. The hybrid fuel rodlet design is being investigated under the Light Water Reactor Sustainability (LWRS) program for further development and testing of one of the possible advanced LWR nuclear fuel cladding designs. The gamma irradiation tests were performed in preparation for neutron irradiation tests planned for a silicon carbide (SiC) ceramic matrix composite (CMC) zircaloy-4 (Zr-4) hybrid fuel rodlet that may be tested in the INL Advanced Test Reactor (ATR) if the design is selected for further development and testing

  1. Prevention of nuclear fuel cladding materials corrosion

    International Nuclear Information System (INIS)

    Yang, K.R.; Yang, J.C.; Lee, I.C.; Kang, H.D.; Cho, S.W.; Whang, C.K.

    1983-01-01

    The only way which could be performed by the operator of nuclear power plant to minimizing the degradation of nuclear fuel cladding material is to control the water quality of primary coolant as specified standard conditions which dose not attack the cladding material. If the water quality of reactor coolant does not meet far from the specification, the failure will occure not only cladding material itself but construction material of primary system which contact with the coolant. The corrosion product of system material are circulate through the whole primary system with the coolant and activated by the neutron near the reactor core. The activated corrosion products and fission products which released from fuel rod to the coolant, so called crud, will repeate deposition and redeposition continuously on the fuel rod and construction material surface. As a result we should consider heat transfer problem. In this study following activities were performed; 1. The crud sample was taken from the spent fuel rod surface of Kori unit one and analized for radioactive element and non radioactive chemical species. 2. The failure mode of nuclear fuel cladding material was estimated by the investigation of releasing type of fission products from the fuel rod to the reactor coolant using the iodine isotopes concentration of reactor coolants. 3. A study was carried out on the sipping test results of spent fuel and a discussion was made on the water quality control records through the past three cycle operation period of Kori unit one plant. (Author)

  2. Progress in Understanding of Fuel-Cladding Chemical interaction in Metal Fuel

    International Nuclear Information System (INIS)

    Inagaki, Okenta; Nakamura, Kinya; Ogata, Takanari

    2013-01-01

    Conclusion: Representative phases formed in FCCI were identified: • The reaction between lanthanide elements and cladding; • The reaction between U-PU-Zr and cladding (Fe). Characteristics of the wastage layer were clarified: • Time and temperature dependency of the growth ratio of the wastage layer formed by lanthanide elements; • Threshold temperature of the liquid phase formation in the reaction between U-Pu-Zr and Fe. These results are used: - as a basis for the FCCI modeling; - as a reference data in post-irradiation examination of irradiated metallic fuels

  3. MODELLING OF NUCLEAR FUEL CLADDING TUBES CORROSION

    Directory of Open Access Journals (Sweden)

    Miroslav Cech

    2016-12-01

    Full Text Available This paper describes materials made of zirconium-based alloys used for nuclear fuel cladding fabrication. It is focused on corrosion problems their theoretical description and modeling in nuclear engineering.

  4. Method of processing spent fuel cladding tubes

    International Nuclear Information System (INIS)

    Nakatsuka, Masafumi; Ouchi, Atsuhiro; Imahashi, Hiromichi.

    1986-01-01

    Purpose: To decrease the residual activity of spent fuel cladding tubes in a short period of time and enable safety storage with simple storage equipments. Constitution: Spent fuel cladding tubes made of zirconium alloys discharged from a nuclear fuel reprocessing step are exposed to a grain boundary embrittling atmosphere to cause grain boundary destruction. This causes grain boundary fractures to the zirconium crystal grains as the matrix of nuclear fuels and then precipitation products precipitated to the grain boundary fractures are removed. The zirconium constituting the nuclear fuel cladding tube and other ingredient elements contained in the precipitation products are separated in this removing step and they are separately stored respectively. As a result, zirconium constituting most part of the composition of the spent nuclear fuel cladding tubes can be stored safely at a low activity level. (Takahashi, M.)

  5. Simulations of Failure via Three-Dimensional Cracking in Fuel Cladding for Advanced Nuclear Fuels

    International Nuclear Information System (INIS)

    Lu, Hongbing; Bukkapatnam, Satish; Harimkar, Sandip; Singh, Raman; Bardenhagen, Scott

    2014-01-01

    Enhancing performance of fuel cladding and duct alloys is a key means of increasing fuel burnup. This project will address the failure of fuel cladding via three-dimensional cracking models. Researchers will develop a simulation code for the failure of the fuel cladding and validate the code through experiments. The objective is to develop an algorithm to determine the failure of fuel cladding in the form of three-dimensional cracking due to prolonged exposure under varying conditions of pressure, temperature, chemical environment, and irradiation. This project encompasses the following tasks: 1. Simulate 3D crack initiation and growth under instantaneous and/or fatigue loads using a new variant of the material point method (MPM); 2. Simulate debonding of the materials in the crack path using cohesive elements, considering normal and shear traction separation laws; 3. Determine the crack propagation path, considering damage of the materials incorporated in the cohesive elements to allow the energy release rate to be minimized; 4. Simulate the three-dimensional fatigue crack growth as a function of loading histories; 5. Verify the simulation code by comparing results to theoretical and numerical studies available in the literature; 6. Conduct experiments to observe the crack path and surface profile in unused fuel cladding and validate against simulation results; and 7. Expand the adaptive mesh refinement infrastructure parallel processing environment to allow adaptive mesh refinement at the 3D crack fronts and adaptive mesh merging in the wake of cracks. Fuel cladding is made of materials such as stainless steels and ferritic steels with added alloying elements, which increase stability and durability under irradiation. As fuel cladding is subjected to water, chemicals, fission gas, pressure, high temperatures, and irradiation while in service, understanding performance is essential. In the fast fuel used in advanced burner reactors, simulations of the nuclear

  6. Simulations of Failure via Three-Dimensional Cracking in Fuel Cladding for Advanced Nuclear Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Hongbing [Univ. of Texas, Austin, TX (United States); Bukkapatnam, Satish; Harimkar, Sandip; Singh, Raman; Bardenhagen, Scott

    2014-01-09

    Enhancing performance of fuel cladding and duct alloys is a key means of increasing fuel burnup. This project will address the failure of fuel cladding via three-dimensional cracking models. Researchers will develop a simulation code for the failure of the fuel cladding and validate the code through experiments. The objective is to develop an algorithm to determine the failure of fuel cladding in the form of three-dimensional cracking due to prolonged exposure under varying conditions of pressure, temperature, chemical environment, and irradiation. This project encompasses the following tasks: 1. Simulate 3D crack initiation and growth under instantaneous and/or fatigue loads using a new variant of the material point method (MPM); 2. Simulate debonding of the materials in the crack path using cohesive elements, considering normal and shear traction separation laws; 3. Determine the crack propagation path, considering damage of the materials incorporated in the cohesive elements to allow the energy release rate to be minimized; 4. Simulate the three-dimensional fatigue crack growth as a function of loading histories; 5. Verify the simulation code by comparing results to theoretical and numerical studies available in the literature; 6. Conduct experiments to observe the crack path and surface profile in unused fuel cladding and validate against simulation results; and 7. Expand the adaptive mesh refinement infrastructure parallel processing environment to allow adaptive mesh refinement at the 3D crack fronts and adaptive mesh merging in the wake of cracks. Fuel cladding is made of materials such as stainless steels and ferritic steels with added alloying elements, which increase stability and durability under irradiation. As fuel cladding is subjected to water, chemicals, fission gas, pressure, high temperatures, and irradiation while in service, understanding performance is essential. In the fast fuel used in advanced burner reactors, simulations of the nuclear

  7. Fuel assembly and fuel cladding tube

    International Nuclear Information System (INIS)

    Tsutsumi, Shinro; Ito, Ken-ichi; Inagaki, Masatoshi; Nakajima, Junjiro.

    1996-01-01

    A fuel cladding tube is a zirconium liner tube formed by lining a pure zirconium layer on the inner side of a zirconium alloy tube. The fuel cladding tube is formed by extrusion molding of a composite billet formed by inserting a pure zirconium billet into a zirconium alloy billet. Accordingly, the pure zirconium layer and the zirconium alloy tube are strongly joined by metal bond. The fuel cladding tube has an external oxide film on the outer surface of the zirconium alloy tube and an internal oxide film on the inner side of the pure zirconium layer. The external oxide film has a thickness preferably of about 1μm. The internal oxide film has a thickness of not more than 10μm, preferably, from 1 to 5μm. With such a constitution, flaws to be formed on both inner and outer surfaces of the cladding tube upon assembling a fuel assembly can be reduced thereby enabling to reduce the amount of hydrogen absorbed to the cladding tube. (I.N.)

  8. Pressurized water reactor fuel performance problems connected with fuel cladding corrosion processes

    International Nuclear Information System (INIS)

    Dobrevski, I.; Zaharieva, N.

    2008-01-01

    Generally, Pressurized Water Reactor (WWER, PWR) Fuel Element Performance is connected with fuel cladding corrosion and crud deposition processes. By transient to extended fuel cycles in nuclear power reactors, aiming to achieve higher burnup and better fuel utilization, the role of these processes increases significantly. This evolution modifies the chemical and electrochemical conditions in the reactor primary system, including change of fuel claddings' environment. The higher duty cores are always attended with increased boiling (sub-cooled nucleate boiling) mainly on the feed fuel assemblies. This boiling process on fuel cladding surfaces can cause different consequences on fuel element cladding's environment characteristics. In the case of boiling at the cladding surfaces without or with some cover of corrosion product deposition, the behavior of gases dissolved in water phase is strongly influenced by the vapor generation. The increase of vapor partial pressure will reduce the partial pressures of dissolved gases and will cause their stripping out. By these circumstances the concentrations of dissolved gases in cladding wall water layer can dramatically decrease, including also the case by which all dissolved gases to be stripped out. On the other hand it is known that the hydrogen is added to primary coolant in order to avoid the production of oxidants by radiolysis of water. It is clear that if boiling strips out dissolved hydrogen, the creation of oxidizing conditions at the cladding surfaces will be favored. In this case the local production of oxidants will be a result from local processes of water radiolysis, by which not only both oxygen (O 2 ) and hydrogen (H 2 ) but also hydrogen peroxide (H 2 O 2 ) will be produced. While these hydrogen and oxygen will be stripped out preferentially by boiling, the bigger part of hydrogen peroxide will remain in wall water phase and will act as the most important factor for creation of oxidizing conditions in fuel

  9. Instrument for measuring fuel cladding strain

    International Nuclear Information System (INIS)

    Billeter, T.R.

    1976-01-01

    Development work to provide instrumentation for the continuous measurement of strain of material specimens such as nuclear fuel cladding has shown that a microwave sensor and associated instrumentation hold promise. The cylindrical sensor body enclosing the specimen results in a coaxial resonator absorbing microwave energy at frequencies dependent upon the diameter of the specimen. Diametral changes of a microinch can be resolved with use of the instrumentation. Very reasonable values of elastic strain were measured at 75 0 F and 1000 0 F for an internally pressurized 20 percent C.W. 316 stainless steel specimen simulating nuclear fuel cladding. The instrument also indicated the creep strain of the same specimen pressurized at 6500 psi and at a temperature of 1000 0 F for a period of 700 hours. Although the indicated strain appears greater than actual, the sensor/specimen unit experienced considerable oxidation even though an inert gas purge persisted throughout the test duration. By monitoring at least two modes of resonance, the measured strain was shown to be nearly independent of sensor temperature. To prevent oxidation, a second test was performed in which the specimen/sensor units were contained in an evacuated enclosure. The strain of the two prepressurized specimens as indicated by the microwave instrumentation agreed very closely with pre- and post-test measurements obtained with use of a laser interferometer

  10. Fuel cladding tube leak detection device

    International Nuclear Information System (INIS)

    Naito, Makoto.

    1992-01-01

    The device of the present invention can detect even a minute leakage or a continuous leakage during reactor operation. That is, the device of the present invention comprises a detector for analyzing nuclides of gases incorporated in a gas waste processing system, and a calculation device connected to the detector and detecting leakage from a fuel cladding tube by calculation for variation coefficient of long-life nuclides. By using theses devices, radioactivity contained in gases incorporated in the gas waste processing system is analyzed for the nuclides. Among the analized nuclides, if the amount of the long-life nuclides exceeds a predetermined value, it is judged as leakage of the fuel cladding tube. For example, the long-life nuclides include Xe-133. The device of the present invention can certainly detect occurrence of leakage even when it is minute or continues leakage. Accordingly, countermeasures can be taken in an early stage, thereby enabling to contribute improvement for the safety of a nuclear power plant. (I.S.)

  11. The ballooning of fuel cladding tubes: theory and experiment

    International Nuclear Information System (INIS)

    Shewfelt, R.S.W.

    1988-01-01

    Under some conditions, fuel clad ballooning can result in considerable strain before rupture. If ballooning were to occur during a loss-of-coolant accident (LOCA), the resulting substantial blockage of the sub-channel would restrict emergency core cooling. However, circumferential temperature gradients that would occur during a LOCA may significantly limit the average strain at failure. Understandably, the factors that control ballooning and rupture of fuel clad are required for the analysis of a LOCA. Considerable international effort has been spent on studying the deformation of Zircaloy fuel cladding under conditions that would occur during a LOCA. This effort has established a reasonable understanding of the factors that control the ballooning, failure time, and average failure strain of fuel cladding. In this paper, both the experimental and theoretical studies of the fuel clad ballooning are reviewed. (author)

  12. Creep collapse of TAPS fuel cladding

    International Nuclear Information System (INIS)

    Chaudhry, S.M.; Anand, A.K.

    1975-01-01

    Densification of UO 2 can cause axial gaps between fuel pelets and cladding in unsupported (internally) at these regions. An analysis is carried out regarding the possibility of creep collapse in these regions. The analysis is based on Timoshenko's theory of collapse. At various times during the residence of fuel in reactor following parameters are calculated : (1) inelastic collapse of perfectly circular tubes (2) plastic instability in oval tubes (3) effect of creep on ovality. Creep is considered to be a non-linear combination of the following : (a) thermal creep (b) intresenic creep (c) stress aided radiation enhanced (d) stress free growth (4) Critical pressure ratio. The results obtained are compared with G.E. predictions. The results do not predict collapse of TAPS fuel cladding for five year residence time. (author)

  13. Facility for in-reactor creep testing of fuel cladding

    International Nuclear Information System (INIS)

    Kohn, E.; Wright, M.G.

    1976-11-01

    A biaxial stress creep test facility has been designed and developed for operation in the WR-1 reactor. This report outlines the rationale for its design and describes its construction and the operating experience with it. The equipment is optimized for the determination of creep data on CANDU fuel cladding. Typical results from Zr-2.5 wt% Nb fuel cladding are used to illustrate the accuracy and reliability obtained. (author)

  14. Development of advanced zirconium fuel cladding

    International Nuclear Information System (INIS)

    Jeong, Young Hwan; Park, S. Y.; Lee, M. H.

    2007-04-01

    This report includes the manufacturing technology developed for HANA TM claddings, a series of their characterization results as well as the results of their in-pile and out-of pile performances tests which were carried out to develop some fuel claddings for a high burn-up (70,000MWd/mtU) which are competitive in the world market. Some of the HANA TM claddings, which had been manufactured based on the results from the 1st and 2nd phases of the project, have been tested in a research reactor in Halden of Norway for an in-pile performance qualification. The results of the in-pile test showed that the performance of the HANA TM claddings for corrosion and creep was better than 50% compared to that of Zircaloy-4 or A cladding. It was also found that the out-of pile performance of the HANA TM claddings for such as LOCA and RIA in some accident conditions corrosion creep, tensile, burst and fatigue was superior or equivalent to that of the Zircaloy-4 or A cladding. The project also produced the other many data which were required to get a license for an in-pile test of HANA TM claddings in a commercial reactor. The data for the qualification or characterization were provided for KNFC to assist their activities to get the license for the in-pile test of HANA TM Lead Test Rods(LTR) in a commercial reactor

  15. DECONTAMINATION OF ZIRCALOY SPENT FUEL CLADDING HULLS

    International Nuclear Information System (INIS)

    Rudisill, T; John Mickalonis, J

    2006-01-01

    The reprocessing of commercial spent nuclear fuel (SNF) generates a Zircaloy cladding hull waste which requires disposal as a high level waste in the geologic repository. The hulls are primarily contaminated with fission products and actinides from the fuel. During fuel irradiation, these contaminants are deposited in a thin layer of zirconium oxide (ZrO 2 ) which forms on the cladding surface at the elevated temperatures present in a nuclear reactor. Therefore, if the hulls are treated to remove the ZrO 2 layer, a majority of the contamination will be removed and the hulls could potentially meet acceptance criteria for disposal as a low level waste (LLW). Discard of the hulls as a LLW would result in significant savings due to the high costs associated with geologic disposal. To assess the feasibility of decontaminating spent fuel cladding hulls, two treatment processes developed for dissolving fuels containing zirconium (Zr) metal or alloys were evaluated. Small-scale dissolution experiments were performed using the ZIRFLEX process which employs a boiling ammonium fluoride (NH 4 F)/ammonium nitrate (NH 4 NO 3 ) solution to dissolve Zr or Zircaloy cladding and a hydrofluoric acid (HF) process developed for complete dissolution of Zr-containing fuels. The feasibility experiments were performed using Zircaloy-4 metal coupons which were electrochemically oxidized to produce a thin ZrO 2 layer on the surface. Once the oxide layer was in place, the ease of removing the layer using methods based on the two processes was evaluated. The ZIRFLEX and HF dissolution processes were both successful in removing a 0.2 mm (thick) oxide layer from Zircaloy-4 coupons. Although the ZIRFLEX process was effective in removing the oxide layer, two potential shortcomings were identified. The formation of ammonium hexafluorozirconate ((NH 4 ) 2 ZrF 6 ) on the metal surface prior to dissolution in the bulk solution could hinder the decontamination process by obstructing the removal of

  16. Development of advanced LWR fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Yong Hwan; Park, S. Y.; Lee, M. H. [and others

    2000-04-01

    This report describes the results from evaluating the preliminary Zr-based alloys to develop the advanced Zr-based alloys for the nuclear fuel claddings, which should have good corrosion resistance and mechanical properties at high burn-up over 70,000MWD/MTU. It also includes the results from the basic studies for optimizing the processes which are involved in the development of the advanced Zr-based alloys. Ten(10) kinds of candidates for the alloys of which performance is over that of the existing Zircaloy-4 or ZIRLO alloy were selected out of the preliminary alloys of 150 kinds which were newly designed and repeatedly manufactured and evaluated to find out the promising alloys. First of all, the corrosion tests on the preliminary alloys were carried out to evaluate their performance in both pure water and LiOH solution at 360 deg C and in steam at 400 deg C. The tensile tests were performed on the alloys which proved to be good in the corrosion resistance. The creep behaviors were tested at 400 deg C for 10 days with the application of constant load on the samples which showed good performance in the corrosion resistance and tensile properties. The effect of the final heat treatment and A-parameters as well as Sn or Nb on the corrosion resistance, tensile properties, hardness, microstructures of the alloys was evaluated for some alloys interested. The other basic researches on the oxides, electrochemical properties, corrosion mechanism, and the establishment of the phase diagrams of some alloys were also carried out.

  17. Development of advanced LWR fuel cladding

    International Nuclear Information System (INIS)

    Jeong, Yong Hwan; Park, S. Y.; Lee, M. H.

    2000-04-01

    This report describes the results from evaluating the preliminary Zr-based alloys to develop the advanced Zr-based alloys for the nuclear fuel claddings, which should have good corrosion resistance and mechanical properties at high burn-up over 70,000MWD/MTU. It also includes the results from the basic studies for optimizing the processes which are involved in the development of the advanced Zr-based alloys. Ten(10) kinds of candidates for the alloys of which performance is over that of the existing Zircaloy-4 or ZIRLO alloy were selected out of the preliminary alloys of 150 kinds which were newly designed and repeatedly manufactured and evaluated to find out the promising alloys. First of all, the corrosion tests on the preliminary alloys were carried out to evaluate their performance in both pure water and LiOH solution at 360 deg C and in steam at 400 deg C. The tensile tests were performed on the alloys which proved to be good in the corrosion resistance. The creep behaviors were tested at 400 deg C for 10 days with the application of constant load on the samples which showed good performance in the corrosion resistance and tensile properties. The effect of the final heat treatment and A-parameters as well as Sn or Nb on the corrosion resistance, tensile properties, hardness, microstructures of the alloys was evaluated for some alloys interested. The other basic researches on the oxides, electrochemical properties, corrosion mechanism, and the establishment of the phase diagrams of some alloys were also carried out

  18. Fuel cladding behavior under rapid loading conditions

    Science.gov (United States)

    Yueh, K.; Karlsson, J.; Stjärnsäter, J.; Schrire, D.; Ledergerber, G.; Munoz-Reja, C.; Hallstadius, L.

    2016-02-01

    A modified burst test (MBT) was used in an extensive test program to characterize fuel cladding failure behavior under rapid loading conditions. The MBT differs from a normal burst test with the use of a driver tube to simulate the expansion of a fuel pellet, thereby producing a partial strain driven deformation condition similar to that of a fuel pellet expansion in a reactivity insertion accident (RIA). A piston/cylinder assembly was used to pressurize the driver tube. By controlling the speed and distance the piston travels the loading rate and degree of sample deformation could be controlled. The use of a driver tube with a machined gauge section localizes deformation and allows for continuous monitoring of the test sample diameter change at the location of maximum hoop strain, during each test. Cladding samples from five irradiated fuel rods were tested between 296 and 553 K and loading rates from 1.5 to 3.5/s. The test rods included variations of Zircaloy-2 with different liners and ZIRLO, ranging in burn-up from 41 to 74 GWd/MTU. The test results show cladding ductility is strongly temperature and loading rate dependent. Zircaloy-2 cladding ductility degradation due to operational hydrogen pickup started to recover at approximately 358 K for test condition used in the study. This recovery temperature is strongly loading rate dependent. At 373 K, ductility recovery was small for loading rates less than 8 ms equivalent RIA pulse width, but longer than 8 ms the ductility recovery increased exponentially with increasing pulse width, consistent with literature observations of loading rate dependent brittle-to-ductile (BTD) transition temperature. The cladding ductility was also observed to be strongly loading rate/pulse width dependent for BWR cladding below the BTD temperature and Pressurized Water Reactor (PWR) cladding at both 296 and 553 K.

  19. Advanced LWR Nuclear Fuel Cladding System Development Trade-Off Study

    Energy Technology Data Exchange (ETDEWEB)

    Kristine Barrett; Shannon Bragg-Sitton

    2012-09-01

    The Advanced Light Water Reactor (LWR) Nuclear Fuel Development Research and Development (R&D) Pathway encompasses strategic research focused on improving reactor core economics and safety margins through the development of an advanced fuel cladding system. To achieve significant operating improvements while remaining within safety boundaries, significant steps beyond incremental improvements in the current generation of nuclear fuel are required. Fundamental improvements are required in the areas of nuclear fuel composition, cladding integrity, and the fuel/cladding interaction to allow power uprates and increased fuel burn-up allowance while potentially improving safety margin through the adoption of an “accident tolerant” fuel system that would offer improved coping time under accident scenarios. With a development time of about 20 – 25 years, advanced fuel designs must be started today and proven in current reactors if future reactor designs are to be able to use them with confidence.

  20. Fuel cladding tube and fuel rod for BWR type reactor

    International Nuclear Information System (INIS)

    Urata, Megumu; Mitani, Shinji.

    1995-01-01

    A fuel cladding tube has grooves fabricated, on the surface thereof, with a predetermined difference between crest and bottom (depth of the groove) in the circumferential direction. The cross sectional shape thereof is sinusoidal. The distribution of the grain size of iron crud particles in coolants is within a range about from 2μm to 12μm. If the surface roughness of the fuel cladding tube (depth of the groove) is determined greater than 1.6μm and less than 12.5, iron cruds in coolants can be positively deposited on the surface of the fuel cladding tube. In addition, once deposited iron cruds can be prevented from peeling from the surface of the fuel cladding tube. With such procedures, iron cruds deposited and radioactivated on the fuel cladding tube can be prevented from peeling, to prevent and reduce the increase of radiation dose on the surface of the pipelines without providing any additional device. (I.N.)

  1. Preliminary study of mechanical behavior for Cr coated Zr-4 Fuel Cladding

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Do-Hyoung; Kim, Hak-Sung [Hanyang Univ., Seoul (Korea, Republic of); Kim, Hyo-Chan; Yang, Yong-Sik [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    To decrease the oxidation rate of Zr-based alloy components, many concepts of accident tolerant fuel (ATF) such as Mo-Zr cladding, SiC/SiCf cladding and iron-based alloy cladding are under development. One of the promised concept is the coated cladding which can remarkably increase the corrosion and wear resistance. Recently, KAERI is developing the Cr coated Zircaloy cladding as accident tolerance cladding. To coat the Cr powder on the Zircaloy, 3D laser coating technology has been employed because it is possible to make a coated layer on the tubular cladding surface by controlling the 3-diminational axis. Therefore, for this work, the mechanical integrity of Cr coated Zircaloy should be evaluated to predict the safety of fuel cladding during the operating or accident of nuclear reactor. In this work, the mechanical behavior of the Cr coated Zircaloy cladding has been studied by using finite element analysis (FEA). The ring compression test (RCT) of fuel cladding was simulated to evaluate the validity of mechanical properties of Zr-4 and Cr, which were referred from the literatures and experimental reports. In this work, the mechanical behavior of the Cr coated Zircaloy cladding has been studied by using finite element analysis (FEA). The ring compression test (RCT) of fuel cladding was simulated to evaluate the validity of mechanical properties of Zr-4 and Cr. The pellet-clad mechanical interaction (PCMI) properties of Cr coated Zr-4 cladding were investigated by thermo-mechanical finite element analysis (FEA) simulation. The mechanical properties of Zr-4 and Cr was validated by simulation of ring compression test (RCT) of fuel cladding.

  2. Accident tolerant fuel cladding development: Promise, status, and challenges

    Science.gov (United States)

    Terrani, Kurt A.

    2018-04-01

    The motivation for transitioning away from zirconium-based fuel cladding in light water reactors to significantly more oxidation-resistant materials, thereby enhancing safety margins during severe accidents, is laid out. A review of the development status for three accident tolerant fuel cladding technologies, namely coated zirconium-based cladding, ferritic alumina-forming alloy cladding, and silicon carbide fiber-reinforced silicon carbide matrix composite cladding, is offered. Technical challenges and data gaps for each of these cladding technologies are highlighted. Full development towards commercial deployment of these technologies is identified as a high priority for the nuclear industry.

  3. Pie technique of LWR fuel cladding fracture toughness test

    International Nuclear Information System (INIS)

    Endo, Shinya; Usami, Koji; Nakata, Masahito; Fukuda, Takuji; Numata, Masami; Kizaki, Minoru; Nishino, Yasuharu

    2006-01-01

    Remote-handling techniques were developed by cooperative research between the Department of Hot Laboratories in the Japan Atomic Energy Research Institute (JAERI) and the Nuclear Fuel Industries Ltd. (NFI) for evaluating the fracture toughness on irradiated LWR fuel cladding. The developed techniques, sample machining by using the electrical discharge machine (EDM), pre-cracking by fatigue tester, sample assembling to the compact tension (CT) shaped test fixture gave a satisfied result for a fracture toughness test developed by NFL. And post-irradiation examination (PIE) using the remote-handling techniques were carried out to evaluate the fracture toughness on BWR spent fuel cladding in the Waste Safety Testing Facility (WASTEF). (author)

  4. WWER water chemistry related to fuel cladding behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Kysela, J; Zmitko, M [Nuclear Research Inst. plc., Rez (Czech Republic); Vrtilkova, V [Nuclear Fuel Inst., Prague (Czech Republic)

    1997-02-01

    Operational experience in WWER primary water chemistry and corrosion related to the fuel cladding is reviewed. Insignificant corrosion of fuel cladding was found which is caused by good corrosion resistance of Zr1Nb material and relatively low coolant temperature at WWER-440 reactor units. The differences in water chemistry control is outlined and an attention to the question of compatibility of Zircaloys with WWER water chemistry is given. Some results of research and development in field of zirconium alloy corrosion behaviour are discussed. Experimental facility for in-pile and out-of-pile cladding material corrosion testing is shown. (author). 14 refs, 5 figs, 3 tabs.

  5. Chemical interaction of fuel and cladding tubes

    International Nuclear Information System (INIS)

    Kirihara, Tomoo; Yamawaki, Michio; Obata, Naomi; Handa, Muneo.

    1983-01-01

    It was attempted to take up the behavior of nuclear fuel in cores and summarize it by the expert committee on the irradiation behavior of nuclear fuel from fiscal 1978 to fiscal 1980 from the following viewpoints. The behavior of nuclear fuel in cores has been treated separately according to each reactor type, accordingly this point is reconsidered. The clearly understood points and the uncertain points are discriminated. It is made more easily understandable for people in other fields of atomic energy. This report is that of the group on the chemical interaction, and the first report of this committee. The chemical interaction as the behavior of fuel in cores is in the unseparable relation to the mechanical interaction, but this relation is not included in this report. The chemical interaction of fuel and cladding tubes under irradiation shows different phenomena in LWRs and FBRs, and is called SCC and FCC, respectively. But this point of causing the difference must be understood to grasp the behavior of fuel. The mutual comparison of oxide fuels for FBRs and LWRs, the stress corrosion cracking of zircaloy tubes, and fuel-cladding chemical interaction in FBRs are reported. (Kako, I.)

  6. Achilles tests finally nail PWR fuel clad ballooning fears

    International Nuclear Information System (INIS)

    Dore, P.; McMinn, K.

    1992-01-01

    A conclusive series of experiments carried out by AEA Reactor Services at its Achilles rig in the UK has finally allayed fears that fuel clad ballooning is a major safety problem for Sizewell B, Britain's first Pressurized Water Reactor. The experiments are described in this article. (author)

  7. Delayed hydride cracking of Zircaloy-4 fuel cladding

    International Nuclear Information System (INIS)

    Pizarro, Luis M.; Fernandez, Silvia; Lafont, Claudio; Mizrahi, Rafael; Haddad, Roberto

    2007-01-01

    Crack propagation rates, grown by the delayed hydride cracking mechanism, were measured in Zircaloy-4 fuel cladding, according to a Coordinated Research Project (CRP) sponsored by the International Atomic Energy Agency (IAEA). During the first stage of the program a Round Robin Testing was performed on fuel cladding samples provided by Studsvik (Sweden), of the type used in PWR reactors. Crack growth in the axial direction is obtained through the specially developed 'pin load testing' (PLT) device. In these tests, crack propagation rates were determined at 250 C degrees on several samples of the material described above, obtaining a mean value of about 2.5 x 10 -8 m s -1 . The results were analyzed and compared satisfactorily with those obtained by the other laboratories participating in the CRP. At the present moment, similar tests on CANDU and Atucha I type fuel cladding are being performed. It is thought that the obtained results will give valuable information concerning the analysis of possible failures affecting fuel cladding under reactor operation. (author) [es

  8. BISON Investigation of the Effect of the Fuel- Cladding Contact Irregularities on the Peak Cladding Temperature and FCCI Observed in AFC-3A Rodlet 4

    Energy Technology Data Exchange (ETDEWEB)

    Medvedev, Pavel G. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-09-01

    The primary objective of this report is to document results of BISON analyses supporting Fuel Cycle Research and Development (FCRD) activities. Specifically, the present report seeks to provide explanation for the microstructural features observed during post irradiation examination of the helium-bonded annular U-10Zr fuel irradiated during the AFC-3A experiment. Post irradiation examination of the AFC-3A rodlet revealed microstructural features indicative of the fuel-cladding chemical interaction (FCCI) at the fuel-cladding interface. Presence of large voids was also observed in the same locations. BISON analyses were performed to examine stress and temperature profiles and to investigate possible correlation between the voids and FCCI. It was found that presence of the large voids lead to a formation of circumferential temperature gradients in the fuel that may have redirected migrating lanthanides to the locations where fuel and cladding are in contact. Resulting localized increase of lanthanide concentration is expected to accelerate FCCI. The results of this work provide important guidance to the post irradiation examination studies. Specifically, the hypothesis of lanthanides being redirected from the voids to the locations where the fuel and the cladding are in contact should be verified by conducting quantitative electron microscopy or Electron Probe Micro-Analyzer (EPMA). The results also highlight the need for computer models capable of simulating lanthanide diffusion in metallic fuel and establish a basis for validation of such models.

  9. Interim report on the creepdown of Zircaloy fuel cladding

    International Nuclear Information System (INIS)

    Hobson, D.O.; Dodd, C.V.

    1977-01-01

    This report describes the creepdown phenomenon in Zircaloy fuel cladding and the methods by which it will be measured and analyzed. Instrumentation for monitoring radial deformation in the cladding is described in detail--in terms of theory, design, and stability. The programs that control the microcomputer are listed, both to document the level of sophistication of the instrumentation and to indicate the flexibility of the test equipment

  10. POST CRITICAL HEAT TRANSFER AND FUEL CLADDING OXIDATION

    Directory of Open Access Journals (Sweden)

    Vojtěch Caha

    2016-12-01

    Full Text Available The knowledge of heat transfer coefficient in the post critical heat flux region in nuclear reactor safety is very important. Although the nuclear reactors normally operate at conditions where critical heat flux (CHF is not reached, accidents where dryout occur are possible. Most serious postulated accidents are a loss of coolant accident or reactivity initiated accident which can lead to CHF or post CHF conditions and possible disruption of core integrity. Moreover, this is also influenced by an oxide layer on the cladding surface. The paper deals with the study of mathematical models and correlations used for heat transfer calculation, especially in post dryout region, and fuel cladding oxidation kinetics of currently operated nuclear reactors. The study is focused on increasing of accuracy and reliability of safety limit calculations (e.g. DNBR or fuel cladding temperature. The paper presents coupled code which was developed for the solution of forced convection flow in heated channel and oxidation of fuel cladding. The code is capable of calculating temperature distribution in the coolant, cladding and fuel and also the thickness of an oxide layer.

  11. Nuclear-powered pacemaker fuel cladding study

    International Nuclear Information System (INIS)

    Shoup, R.L.

    1976-01-01

    The composite of metals and alloys used in the fabrication of 238 Pu cardiac pacemaker fuel capsules resists the effects of high temperatures, high mechanical forces, and chemical corrosives and provides more than adequate protection to the fuel pellet even from deliberate attempts to dissolve the cladding in inorganic acids. This does not imply that opening a pacemaker fuel capsule by inorganic acids is impossible but that it would not be a wise choice

  12. Properties of light water reactor spent fuel cladding. Interim report

    International Nuclear Information System (INIS)

    Farwick, D.G.; Moen, R.A.

    1979-08-01

    The Commercial Waste and Spent Fuel Packaging Program will provide containment packages for the safe storage or disposal of spent Light Water Reactor (LWR) fuel. Maintaining containment of radionuclides during transportation, handling, processing and storage is essential, so the best understanding of the properties of the materials to be stored is necessary. This report provides data collection, assessment and recommendations for spent LWR fuel cladding materials properties. Major emphasis is placed on mechanical properties of the zircaloys and austenitic stainless steels. Limited information on elastic constants, physical properties, and anticipated corrosion behavior is also provided. Work is in progress to revise these evaluations as the program proceeds

  13. Development Status of Accident Tolerant Fuel Cladding for LWRs

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyun-Gil; Kim, Il-Hyun; Jung, Yang-Il; Park, Dong-Jun; Park, Jung-Hwan; Yang, Jae-Ho; Koo, Yang-Hyun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    Hydrogen explosions and the release of radionuclides are caused by severe damage of current nuclear fuels, which are composed of fuel pellets and fuel cladding, during an accident. To reduce the damage to the public, the fuels have to enhance their integrity under an accident environment. Enhanced accident tolerance fuels (ATFs) can tolerate a loss of active cooling in the reactor core for a considerably longer time period during design-basis and beyond design-basis events while maintaining or improving the fuel performance during normal operations as well as operational transients, in comparison with the current UO{sub 2}-Zr alloy system used in the LWR. Surface modified Zr cladding as a new concept was suggested to apply an enhanced ATF cladding. The aim of the partial ODS treatment is to increase the high-temperature strength to suppress the ballooning/rupture behavior of fuel cladding during an accident event. The target of the surface coating is to increase the corrosion resistance during normal operation and increase the oxidation resistance during an accident event. The partial ODS treatment of Zircaloy-4 cladding can be produced using a laser beam scanning method with Y2O3 powder, and the surface Cr-alloy and Cr/FeCrAl coating on Zircaloy-4 cladding can be obtained after the development of 3D laser coating and arc ion plating technologies.

  14. Microbial biofilm growth on irradiated, spent nuclear fuel cladding

    International Nuclear Information System (INIS)

    Bruhn, D.F.; Frank, S.M.; Roberto, F.F.; Pinhero, P.J.; Johnson, S.G.

    2009-01-01

    A fundamental criticism regarding the potential for microbial influenced corrosion in spent nuclear fuel cladding or storage containers concerns whether the required microorganisms can, in fact, survive radiation fields inherent in these materials. This study was performed to unequivocally answer this critique by addressing the potential for biofilm formation, the precursor to microbial-influenced corrosion, in radiation fields representative of spent nuclear fuel storage environments. This study involved the formation of a microbial biofilm on irradiated spent nuclear fuel cladding within a hot cell environment. This was accomplished by introducing 22 species of bacteria, in nutrient-rich media, to test vessels containing irradiated cladding sections and that was then surrounded by radioactive source material. The overall dose rate exceeded 2 Gy/h gamma/beta radiation with the total dose received by some of the bacteria reaching 5 x 10 3 Gy. This study provides evidence for the formation of biofilms on spent-fuel materials, and the implication of microbial influenced corrosion in the storage and permanent deposition of spent nuclear fuel in repository environments

  15. Future possibilities of SUSEN technologies for R&D of nuclear fuel cladding

    International Nuclear Information System (INIS)

    Mikloš, M.

    2015-01-01

    R&D possibilities with nuclear fuel cladding were discussed in this paper. The availability of 10 MWT reactor with BWR and PWR loops having chemistry control was described. Activity transport and fuel cladding corrosion can be investigated in this facility including PIE. The facility has hot cells and the laboratory is expected to start in 2017

  16. Compatibility studies on Mo-coating systems for nuclear fuel cladding applications

    Science.gov (United States)

    Koh, Huan Chin; Hosemann, Peter; Glaeser, Andreas M.; Cionea, Cristian

    2017-12-01

    To improve the safety factor of nuclear power plants in accident scenarios, molybdenum (Mo), with its high-temperature strength, is proposed as a potential fuel-cladding candidate. However, Mo undergoes rapid oxidation and sublimation at elevated temperatures in oxygen-rich environments. Thus, it is necessary to coat Mo with a protective layer. The diffusional interactions in two systems, namely, Zircaloy-2 (Zr2) on a Mo tube, and iron-chromium-aluminum (FeCrAl) on a Mo rod, were studied by aging coated Mo substrates in high vacuum at temperatures ranging from 650 °C to 1000° for 1000 h. The specimens were characterized using scanning electron microscopy (SEM), energy-dispersive spectrometry (EDS) and nanoindentation. In both systems, pores in the coating increased in size and number with increasing temperature over time, and cracks were also observed; intermetallic phases formed between the Mo and its coatings.

  17. Probabilistic assessment of spent-fuel cladding breach

    International Nuclear Information System (INIS)

    Foadian, H.; Rashid, Y.R.; Seager, K.D.

    1991-01-01

    A methodology for determining the probability spent-fuel cladding breach due to normal and accident class B cask transport conditions is introduced. This technique uses deterministic stress analysis results as well as probabilistic cladding material properties, initial flaws, and breach criteria. Best estimates are presented for the probability distributions of irradiated Zircaloy properties such as ductility and fracture toughness, and for fuel rod initial conditions such as manufacturing flaws and PCI part-wall cracks. Example analyses are used to illustrate the implementation of this methodology for a BWR (GE 7 x 7) and a PWR (B ampersand W 15 x 15) assembly. The cladding breach probabilities for each assembly are tabulated for regulatory normal and accident transport conditions including fire

  18. Manufacturing process for the metal ceramic hybrid fuel cladding tube

    International Nuclear Information System (INIS)

    Jung, Yang Il; Kim, Sun Han; Park, Jeong Yong

    2012-01-01

    For application in LWRs with suppressed hydrogen release, a metal-ceramic hybrid cladding tube has been proposed. The cladding consists of an inner zirconium tube and outer SiC fiber matrix SiC ceramic composite. The inner zirconium allows the matrix to remain fully sealed even if the ceramic matrix cracks through. The outer SiC composite can increase the safety margin by taking the merits of the SiC itself. However, it is a challenging task to fabricate the metal-ceramic hybrid tube. Processes such as filament winding, matrix impregnation, and surface costing are additionally required for the existing Zr based fuel cladding tubes. In the current paper, the development of the manufacturing process will be introduced

  19. Manufacturing process for the metal ceramic hybrid fuel cladding tube

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Yang Il; Kim, Sun Han; Park, Jeong Yong [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2012-10-15

    For application in LWRs with suppressed hydrogen release, a metal-ceramic hybrid cladding tube has been proposed. The cladding consists of an inner zirconium tube and outer SiC fiber matrix SiC ceramic composite. The inner zirconium allows the matrix to remain fully sealed even if the ceramic matrix cracks through. The outer SiC composite can increase the safety margin by taking the merits of the SiC itself. However, it is a challenging task to fabricate the metal-ceramic hybrid tube. Processes such as filament winding, matrix impregnation, and surface costing are additionally required for the existing Zr based fuel cladding tubes. In the current paper, the development of the manufacturing process will be introduced.

  20. Probabilistic assessment of spent-fuel cladding breach

    International Nuclear Information System (INIS)

    Foadian, H.; Rashid, Y.R.; Seager, K.D.

    1992-01-01

    In this paper a methodology for determining the probability of spent-fuel cladding breach due to normal and accident class B cask transport conditions is introduced. This technique uses deterministic stress analysis results as well as probabilistic cladding material properties, initial flaws, and breach criteria. Best estimates are presented for the probability distributions of irradiated Zircaloy properties such as ductility and fracture toughness, and for fuel rod initial conditions such as manufacturing flaws and PCI part-wall cracks. Example analyses are used to illustrate the implementation of this methodology for a BWR (GE 7 x 7) and a PWR (B and W 15 x 15) assembly. The cladding breach probabilities for each assembly are tabulated for regulatory normal and accident transport conditions including fire

  1. Study on the improvement of nuclear fuel cladding reliability

    International Nuclear Information System (INIS)

    Rheem, Karp Soon; Han, Jung Ho; Jeong, Yong Hwan; Lee, Deok Hyun

    1987-12-01

    In order to improve the nuclear fuel cladding reliability for high burn-up fuels, the corrosion resistance of laser beam surface treated and β-quenched zircaloys and the mechanical characteristics including fatigue, burst, and out-of-pile PCMI characteristics of heat treated zircaloys were investigated. In addition, the inadiation characteristics of Ko-Ri reactor fuel claddings was examined. It was found that the wasteside corrosion resistance of commercial zircaloys was improved remarkably by laser beam surface treatment. The out-of-pile transient cladding failures were investigated in terms of hoop stress versus time-to-failures by means of mandrel loading units at 25 deg C and 325 deg C. Fatigue characteristics of the β-quenched and as-received zircaloy cladding were investigated by using an internal oil pressurization method which can simulate the load-following operation cycle. The results were in good agreement with the existing data obtained by conventional methods for commercial zircaloys. Burst tests were performed with commercial and the β-quenched zircaloys in high pressure argon gas atmosphere as a function of burst temperature. The burst stress decreased linearly in the α phase region up to 600 deg C and hereafter the decrement of the burst stress decreased gradually with temperature in the β-phase region. For the first time, the burst characteristic of the irradiated zircaloy-4 cladding tubes released from Ko-Ri nuclear power unit 1 was investigated, and attempts were made to trace the cause of cladding failures by examining the failed structure and fret marks by debris. (Author)

  2. A state of the Art report on Manufacturing technology of high burn-up fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kyeong Ho; Nam, Cheol; Baek, Jong Hyuk; Choi, Byung Kwon; Park, Sang Yoon; Lee, Myung Ho; Jeong, Yong Hwan

    1999-09-01

    In order to manufacturing the prototype fuel cladding, overall manufacturing processes and technologies should be thoroughly understood on the manufacturing processes and technologies of foreign cladding tubes. Generally, the important technology related to fuel cladding tube manufacturing processes for PWRs/PHWRs is divided into three stages. The first stage is to produce the zirconium sponge from zirconium sand, the second stage is to produce the zircaloy shell or TREX from zirconium sponge ingot and finally, cladding is produced from TREX or zircaloy shell. Therefore, the manufacturing processes including the first and second stages are described in brief in this technology report in order to understand the whole fuel cladding manufacturing processes. (author)

  3. An integrated approach to selecting materials for fuel cladding in advanced high-temperature reactors

    Energy Technology Data Exchange (ETDEWEB)

    Rangacharyulu, C., E-mail: chary.r@usask.ca [Univ. of Saskatchewan, Saskatoon, SK (Canada); Guzonas, D.A.; Pencer, J.; Nava-Dominguez, A.; Leung, L.K.H. [Atomic Energy of Canada Limited, Chalk River, ON (Canada)

    2014-07-01

    An integrated approach has been developed for selection of fuel cladding materials for advanced high-temperature reactors. Reactor physics, thermalhydraulic and material analyses are being integrated in a systematic study comparing various candidate fuel-cladding alloys. The analyses established the axial and radial neutron fluxes, power distributions, axial and radial temperature distributions, rates of defect formation and helium production using AECL analytical toolsets and experimentally measured corrosion rates to optimize the material composition for fuel cladding. The project has just been initiated at University of Saskatchewan. Some preliminary results of the analyses are presented together with the path forward for the project. (author)

  4. Safety of some fuel cladding materials, alternative to Zr-alloys

    International Nuclear Information System (INIS)

    Hache, Georges; Clement, Bernard; Barrachin, Marc

    2013-01-01

    The Fukushima accident underlined the impact of hydrogen production on LWR core melt accident behaviour. New fuel cladding and structural materials are under development by the industry. IRSN performed a bibliographic study on the behaviour of these materials during LWR core melt accidents. Method This presentation is focused on cladding oxidation by steam and more precisely on: - number of H 2 moles produced per cladding length unit at thermochemical equilibrium; - oxidation kinetics; - heat of reaction; - physic-chemical interactions between material or oxidation products and fuel. Silicon carbide (SiC) - During SiC oxidation by steam, nearly 3 times more explosive gases (CO+H 2 ) moles are produced per cladding length unit at thermochemical equilibrium than for Zr-alloys. - SiC oxidation kinetics below 1700 deg. C: According to early tests performed by NASA and ORNL, the oxidation is linear but slow, there is an effective protection by a thin vitreous SiO 2 layer; these tests underlined the importance of the steam pressure and flow rate. Recently, published MIT and ORNL tests confirm that under large break LOCA conditions (∼5 bars) and up to 1200 deg. C, SiC recession is much slower than for Zr-alloys. Tests under small break conditions (3 inches LOCA: ∼40 bars) were not performed or not published. - SiC oxidation kinetics above 1700 deg. C (melting point of SiO 2 ): Molten SiO 2 loses its protective effect; this is known in the literature as 'catastrophic oxidation by molten oxides'. There will be a cliff-edge effect. For un-inerted containments, H 2 recombiners will be saturated, leading to a risk of CO+H 2 explosion in these containments. - During SiC oxidation by steam, the heat of reaction produced per cladding length unit at thermochemical equilibrium is of the same order of magnitude as for Zr alloys. Molten SiO 2 will interact with UO 2 to form molten mixtures at temperatures well below UO 2 melting temperature. - Calculations were

  5. Characterization of Cassini GPHS fueled clad production girth welds

    International Nuclear Information System (INIS)

    Franco-Ferreira, E.A.; Moyer, M.W.; Reimus, M.A.H.; Placr, A.; Howard, B.D.

    2000-01-01

    Fueled clads for radioisotope power systems are produced by encapsulating 238 PuO 2 in iridium alloy cups, which are joined at their equators by gas tungsten arc welding. Cracking problems at the girth weld tie-in area during production of the Galileo/Ulysses GPHS capsules led to the development of a first-generation ultrasonic test for girth weld inspection at the Savannah River Plant. A second-generation test and equipment with significantly improved sensitivity and accuracy were jointly developed by the Oak Ridge Y-12 Plant and Westinghouse Savannah River Company for use during the production of Cassini GPHS capsules by the Los Alamos National Laboratory. The test consisted of Lamb wave ultrasonic scanning of the entire girth weld from each end of the capsule combined with a time-of-flight evaluation to aid in characterizing nonrelevant indications. Tangential radiography was also used as a supplementary test for further evaluation of reflector geometry. Each of the 317 fueled GP HS capsules, which were girth welded for the Cassini Program, was subjected to a series of nondestructive tests that included visual, dimensional, helium leak rate, and ultrasonic testing. Thirty-three capsules were rejected prior to ultrasonic testing. Of the 44 capsules rejected by the standard ultrasonic test, 22 were upgraded to flight quality through supplementary testing for an overall process acceptance rate of 82.6%. No confirmed instances of weld cracking were found

  6. Production and quality control of fuel cladding tubes for LWRs

    International Nuclear Information System (INIS)

    Matsuda, Katsuhiko; Hagi, Shigeki; Anada, Hiroyuki; Abe, Hideaki; Hyodo, Shigetoshi

    1994-01-01

    This paper reviews the recent fabrication technology and corrosion resistance study of fuel cladding tubes for LWRs conducted by Sumitomo Metal Industries Ltd. started the research on zircaloy in 1957. In 1980, the factory exclusively for the production of cladding tubes was founded, and the mass production system on full scale was established. Thereafter, the various improvement of the production technology, the development of new products, and the heightening of the performance mainly on the corrosion resistance have been tested and studied. Recently, the works in the production processes were almost automated, and the installation of the production lines advanced, and the stabilization of product quality and the rationalization of costs are promoted. Moreover, the development of the zircaloy cladding tubes having high corrosion resistance has been advanced to cope with the long term cycle operation of LWRs hereafter. The features of zircaloy cladding tubes, the manufacturing processes, the improvement of the manufacturing technology, the improvement of the corrosion resistance and so on are reported. (K.I.)

  7. Strength analysis of fast gas cooled reactor fuel element in conditions of fuel-cladding interraction and non-uniform azimuthal heating

    International Nuclear Information System (INIS)

    Kulikov, I.S.; Tverkovkin, B.E.

    1984-01-01

    The technique and the PRORT mathematical program in FORTRAN language for determining mechanical properties of a fuel element with motionless fuel-cladding interaction taking into account circular temperature non-uniformity in gas-cooled fast reactor conditions are proposed. The calculation results of the fuel element of dissociating gas cooled fast reactor are presented for seven cross-sections over the height of the core. The obtained data testify to appreciable swelling of Cr16Ni15Mo3Nb steel fuel cladding in the conditions of dissociating gas cooled fast reactor through the allowance for the effect of stresses on this essential parameter shows, that its value is lower in comparison with swelling, wherein stresses are not taken into account

  8. Statistics of the acoustic emission signals parameters from Zircaloy-4 fuel cladding

    International Nuclear Information System (INIS)

    Oliveto, Maria E.; Lopez Pumarega, Maria I.; Ruzzante, Jose E.

    2000-01-01

    Statistic analysis of acoustic emission signals parameters: amplitude, duration and risetime was carried out. CANDU type Zircaloy-4 fuel claddings were pressurized up to rupture, one set of five normal pieces and six with defects included, acoustic emission was used on-line. Amplitude and duration frequency distributions were fitted with lognormal distribution functions, and risetime with an exponential one. Using analysis of variance, acoustic emission was appropriated to distinguish between defective and non-defective subsets. Clusters analysis applied on mean values of acoustic emission signal parameters were not effective to distinguish two sets of fuel claddings studied. (author)

  9. The anisotropic creep behaviour of zircaloy-4 fuel cladding at 1073 K

    International Nuclear Information System (INIS)

    Rosinger, H.E.; Bowden, J.; Shewfelt, R.S.W.

    1982-04-01

    The anisotropy coefficients (F, G and H) of Hill's equation, suitably modified for creep deformation, have been determined for Zircaloy-4 fuel cladding from steady-state creep tests at an elevated temperature. Creep specimens were subjected to both uniaxial and biaxial loads (via internal pressure) at 1073 K and the strain measured concurrently in the axial and tangential directions. It has been found that Zircaloy-4 fuel cladding is almost, but not completely, isotropic at 1073 K; the values of F, G and H are 0.57, 0.48 and 0.45 respectively

  10. Evolution of processing of GE fuel clad tubing for corrosion resistance in boiling water reactors

    Energy Technology Data Exchange (ETDEWEB)

    Williams, C.D. [GE Nuclear Energy, Wilmington, NC (United States); Adamson, R.B. [GE Nuclear Energy, Wilmington, NC (United States); Marlowe, M.O. [GE Nuclear Energy, Wilmington, NC (United States); Plaza-Meyer, E. [GE Nuclear Energy, Wilmington, NC (United States); Proebstle, R.A. [GE Nuclear Energy, Wilmington, NC (United States); White, D.W. [GE Nuclear Energy, Wilmington, NC (United States)

    1996-05-01

    The current modification of the primary GE in-process solution-quench heat treatment, an (alpha+beta) solution-quench carried out at a tube diameter requiring only two subsequent reduction and anneal cycles, is applicable to Zr barrier fuel clad tubing, to non-barrier fuel clad tubing, and to the TRICLAD tubing product. A combination of good in-reactor corrosion performance and degradation resistance is anticipated for these products, based on knowledge of metallurgical characteristics and supported by the demonstrated performance capability of the Zircaloy-2 materials used. (orig.)

  11. Study on the influence of water chemistry on fuel cladding behaviour of LWR in Japan

    International Nuclear Information System (INIS)

    Mishima, Y.

    1983-01-01

    This article presents the results of the study on the influence of water chemistry on fuel cladding behaviour, which has been performed for more than ten years on BWRs and PWRs in Japan. The post irradiation examination (P.I.E.) program of commercial reactor fuel assembly which was explained at Tokyo meeting in 1981 includes an investigation of the characteristics and build-up conditions of crud deposited on mainly BWR fuel cladding. This article also provides a summary of the results of the investigation and shows how the results are utilized for establishing effective water chemistry measures

  12. Corrosion effect of fast reactor fuel claddings on their mechanical properties

    International Nuclear Information System (INIS)

    Davydov, E.F.; Krykov, F.N.; Shamardin, V.K.

    1985-01-01

    Fast reactor fuel cladding corrosion effect on its mechanical properties was investigated. UO 2 fuel elements were irradiated in the BOP-60 reactor at the linear heat rate of 42 kw/m. Fuel cladding is made of stainless steel OKh16N15M3BR. Calculated maximum cladding temperature is 920 K. Neutron fluence in the central part of fuel elements is 6.3x10 26 m+H- 2 . To investigate the strength changes temperature dependence of corrossion depth, cladding strength reduction factors was determined. Samples plasticity reduction with corrosion layer increase is considered to be a characteristic feature

  13. Effect of zinc injection on BWR fuel cladding corrosion. Pt. 1. Study on an accelerated corrosion condition to evaluate corrosion resistance of zircaloy-2 fuel cladding

    International Nuclear Information System (INIS)

    Kawamura, Hirotaka; Kanbe, Hiromu; Furuya, Masahiro

    2002-01-01

    Japanese BWR utilities have a plan to apply zinc injection to the primary coolant in order to reduce radioactivity accumulation on the structure. Prior to applying the zinc injection to BWR plants, it is necessary to evaluate the effect of zinc injection on corrosion resistance of fuel cladding. The objective of this report was to examine the accelerated corrosion condition for evaluation of BWR fuel cladding corrosion resistance under non-irradiated conditions, as the first step of a zinc injection evaluation study. A heat transfer corrosion test facility, in which a two phase flow condition could be achieved, was designed and constructed. The effects of heat flux, void fraction and solution temperature on BWR fuel cladding corrosion resistance were quantitatively investigated. The main findings were as follows. (1) In situ measurements using high speed camera and a void sensor together with one dimensional two phase flow analysis results showed that a two phase flow simulated BWR core condition can be obtained in the corrosion test facility. (2) The heat transfer corrosion test results showed that the thickness of the zirconium oxide layer increased with increasing solution temperature and was independent of heat flux and void fraction. The corrosion accelerating factor was about 2.5 times in the case of a temperature increase from 288degC to 350degC. (author)

  14. Delayed hydride cracking of zirconium alloy fuel cladding

    International Nuclear Information System (INIS)

    2010-10-01

    This report describes the work performed in a coordinated research project on Hydrogen and Hydride Degradation of the Mechanical and Physical Properties of Zirconium Alloys. It is the second in the series. In 2005-2009 that work was extended within a new CRP called Delayed Hydride Cracking in Zirconium Alloy Fuel Cladding. The project consisted of adding hydrogen to samples of Zircaloy-4 claddings representing light water reactors (LWRs), CANDU and Atucha, and measuring the rates of delayed hydride cracking (DHC) under specified conditions. The project was overseen by a supervisory group of experts in the field who provided advice and assistance to participants as required. All of the research work undertaken as part of the CRP is described in this report, which includes details of the experimental procedures that led to a consistent set of data for LWR cladding. The participants and many of their co-workers in the laboratories involved in the CRP contributed results and material used in this report, which compiles the results, their analysis, discussions of their interpretation and conclusions and recommendations for future work. The research was coordinated by an advisor and by representatives in three laboratories in industrialized Member States. Besides the basic goal to transfer the technology of the testing technique from an experienced laboratory to those unfamiliar with the methods, the CRP was set up to harmonize the experimental procedures to produce consistent sets of data, both within a single laboratory and between different laboratories. From the first part of this project it was demonstrated that by following a standard set of experimental protocols, consistent results could be obtained. Thus, experimental vagaries were minimized by careful attention to detail of microstructure, temperature history and stress state in the samples. The underlying idea for the test programme was set out at the end of the first part of the project on pressure tubes. The

  15. A Multi-Layered Ceramic Composite for Impermeable Fuel Cladding for COmmercial Wate Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Feinroth, Herbert

    2008-03-03

    A triplex nuclear fuel cladding is developed to further improve the passive safety of commercial nuclear plants, to increase the burnup and durablity of nuclear fuel, to improve the power density and economics of nuclear power, and to reduce the amount of spent fuel requiring disposal or recycle.

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

    International Nuclear Information System (INIS)

    Zmitko, M.

    1999-01-01

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

  17. Characteristics of hydride precipitation and reorientation in spent-fuel cladding

    International Nuclear Information System (INIS)

    Chung, H. M.; Strain, R. V.; Billone, M. C.

    2000-01-01

    The morphology, number density, orientation, distribution, and crystallographic aspects of Zr hydrides in Zircaloy fuel cladding play important roles in fuel performance during all phases before and after discharge from the reactor, i.e., during normal operation, transient and accident situations in the reactor, temporary storage in a dry cask, and permanent storage in a waste repository. In the past, partly because of experimental difficulties, hydriding behavior in irradiated fuel cladding has been investigated mostly by optical microscopy (OM). In the present study, fundamental metallurgical and crystallographic characteristics of hydride precipitation and reorientation were investigated on the microscopic level by combined techniques of OM and transmission electron and scanning electron microscopy (TEM and SEM) of spent-fuel claddings discharged from several boiling and pressurized water reactors (BWRs and PWRs). Defueled sections of standard and Zr-lined Zircaloy-2 fuel claddings, irradiated to fluences of ∼3.3 x 10 21 n cm -2 and ∼9.2 x 10 21 n cm -2 (E > 1 MeV), respectively, were obtained from spent fuel rods discharged from two BWRs. Sections of standard and low-tin Zircaloy-4 claddings, irradiated to fluences of ∼4.4 x 10 21 n cm -2 , ∼5.9 x 10 21 n cm -2 , and ∼9.6 x 10 21 n cm -2 (E > 1 MeV) in three PWRs, were also obtained. Microstructural characteristics of hydrides were analyzed in as-irradiated condition and after gas-pressurization-burst or expanding-mandrel tests at 292-325 C in Ar for some of the spent-fuel claddings. Analyses were also conducted of hydride habit plane, morphology, and reorientation characteristics on unirradiated Zircaloy-4 cladding that contained dense radial hydrides. Reoriented hydrides in the slowly cooled unirradiated cladding were produced by expanding-mandrel loading

  18. FeCrAl/Zr dual layer fuel cladding for improved safety margin under accident scenario

    International Nuclear Information System (INIS)

    Park, D.J.; Park, J.H.; Jung, Y.I.; Kim, H.G.; Park, J.Y.; Koo, Y.H.

    2014-01-01

    For application of advanced steel as a cladding material in light water reactor (LWR), FeCrAl/Zr dual layer tube was manufactured by using a hot isostatic pressing (HIP) method. To optimize HIP condition for joining both FeCrAl and Zr alloys, HIP was carried out under various temperature conditions. Tensile test and 3-point bend test performed for measuring mechanical properties of HIPed sample. To better understand microstructural characteristics in interface region between two alloys, SEM and TEM study were conducted by using HIPed sample with different process conditions. Based on this optimization study and analyzed results, optimized HIP condition was determined and FeCrAl/Zr dual layer fuel cladding having same wall thickness with current LWR fuel cladding was manufactured. Simulated loss-of-coolant accident test was carried out using FeCrAl/Zr dual layer cladding sample and fuel integrity was measured by mechanical test. (authors)

  19. Occurence and prediction of sigma phase in fuel cladding alloys for breeder reactors

    International Nuclear Information System (INIS)

    Anantatmula, R.P.

    1982-01-01

    In sodium-cooled fast reactor systems, fuel cladding materials will be exposed for several thousand hours to liquid sodium. Satisfactory performance of the materials depends in part on the sodium compatibility and phase stability of the materials. This paper mainly deals with the phase stability aspect, with particular emphasis on sigma phase formation of the cladding materials upon extended exposures to liquid sodium. A new method of predicting sigma phase formation is proposed for austenitic stainless steels and predictions are compared with the experimental results on fuel cladding materials. Excellent agreement is obtained between theory and experiment. The new method is different from the empirical methods suggested for superalloys and does not suffer from the same drawbacks. The present method uses the Fe-Cr-Ni ternary phase diagram for predicting the sigma-forming tendencies and exhibits a wide range of applicability to austenitic stainless steels and heat-resistant Fe-Cr-Ni alloys

  20. About criteria of inadmissible embrittlement of zirconium fuel cladding during LOCA in the PWRs

    International Nuclear Information System (INIS)

    Osmachkin, V.S.

    1999-01-01

    According the licensing procedures the designers of the PWRs reactor have to prove the meeting of special safety requirements. One criteria on effectiveness of the Emergency Core Cooling System is not to exceeding some limited conditions of the fuel cladding during LOCA accidents (typical example T m ax o C, ECR<0,17 and oth.). The damage of fuel element in the core during LOCA is caused by the oxidation of the cladding, its embrittlement and thermal shock stresses after initiation of the heat removal by a cold water from emergency core cooling system. In the paper the conservatism in criteria to avoid brittle ruptures of the fuel elements is discussed. Taking into account the influence of fuel burnup on the property of the cladding and a potential presence of air in the steam, it is believed that criteria of survivability of the zircaloy fuel cladding during LOCA may not be enough conservative.(author)

  1. Construction of in-situ creep strain test facility for the SFR fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sang Gyu; Heo, Hyeong Min; Kim, Jun Hwan; Kim, Sung Ho [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    In this study, in-situ laser inspection creep test machine was developed for the measuring the creep strain of SFR fuel cladding materials. Ferritic-martensitic steels are being considered as an attractive candidate material for a fuel cladding of a SFR due to their low expansion coefficients, high thermal conductivities and excellent irradiation resistances to a void swelling. HT9 steel (12CrMoVW) is initially developed as a material for power plants in Europe in the 1960. This steel has experienced to expose up to 200dpa in FFTE and EBR-II. Ferritic-Martensitic steel's maximum creep strength in existence is 180Mpa for 106 hour 600 .deg., but HT9 steel is 60Mpa. Because SFR is difficult to secure in developing and applying materials, HT9 steel has accumulated validated data and is suitable for SFR component. And also, because of its superior dimensional stability against fast neutron irradiation, Ferritic-martensitic steel of 9Cr and 12Cr steels, such as HT9 and FC92(12Cr-2W) are preferable to utilize in the fuel cladding of an SFR in KAERI. The pressurized thermal creep test of HT9 and FC92 claddings are being conducted in KAERI, but the change of creep strain in cladding is not easy to measure during the creep test due to its pressurized and closed conditions. In this paper, in-situ laser inspection pressurized creep test machine developed for SFR fuel cladding specimens is described. Moreover, the creep strain rate of HT9 at 650 .deg. C was examined from the in-situ laser inspection pressurized creep test machine.

  2. Characteristics of hydride precipitation and reorientation in spent-fuel cladding

    International Nuclear Information System (INIS)

    Chung, H.M.; Daum, R.S.; Hiller, J.M.; Billone, M.C.

    2002-01-01

    Transmission electron microscopy (TEM) was used to examine Zircaloy fuel cladding, either discharged from several PWRs and a BWR after irradiation to fluence levels of 3.3 to 8.6 X 10 21 n cm -2 (E > 1 MeV) or hydrogen-charged and heat-treated under stress to produce radial hydrides; the goal was to determine the microstructural and crystallographic characteristics of hydride precipitation. Morphologies, distributions, and habit planes of various types of hydrides were determined by stereo-TEM. In addition to the normal macroscopic hydrides commonly observed by optical microscopy, small 'microscopic' hydrides are present in spent-fuel cladding in number densities at least a few orders of magnitude greater than that of macroscopic hydrides. The microscopic hydrides, observed to be stable at least up to 333 deg C, precipitate in association with -type dislocations. While the habit plane of macroscopic tangential hydrides in the spent-fuel cladding is essentially the same as that of unirradiated unstressed Zircaloys, i.e., the [107] Zr plane, the habit plane of tangential hydrides that precipitate under high tangential stress is the [104] Zr plane. The habit plane of radial hydrides that precipitate under tangential stress is the [011] Zr pyramidal plane, a naturally preferred plane for a cladding that has 30 basal-pole texture. Effects of texture on the habit plane and the threshold stress for hydride reorientation are also discussed. (authors)

  3. A comparison of Zircaloy oxide thicknesses on Millstone-3 and North Anna-1 PWR fuel cladding

    International Nuclear Information System (INIS)

    Polley, M.V.; Evans, H.E.

    1993-08-01

    High concentrations of lithium in the coolant may enhance the corrosion rate of Zircaloy fuel cladding. In the present work, oxide thicknesses on fuel cladding from the Millstone 3 PWR were compared with those from the North Anna 1 PWR. The intention was to identify whether the higher lithium levels (up to 3.5 ppM) in the Millstone 3 primary coolant during cycles 2 and 3 led to significantly greater oxidation rates than in North Anna 1 which operated generally with lithium levels lower than 2.2 ppM. The comparisons were made by comparing the measurements with code predictions of Zircaloy oxidation in order to factor out the effect of operational variables on the oxide thicknesses achieved. Overall, Millstone 3 oxide thicknesses were found to be approximately 14% greater than North Anna 1 values. However, approximately 29% lower oxide thicknesses were found on reload Millstone 3 rods exposed to one cycle of elevated lithium chemistry than on Millstone 3 initial fuel exposed to one cycle of normal lithium chemistry during cycle 1. Furthermore, oxide thicknesses on Millstone 3 rods exposed to two cycles of elevated lithium chemistry were approximately 36% lower than on Millstone 3 rods exposed to one cycle of normal lithium chemistry plus one cycle of elevated lithium chemistry. Therefore, it cannot be concluded that elevated lithium operation in Millstone 3 led to enhanced Zircaloy fuel clad corrosion

  4. An internal conical mandrel technique for fracture toughness measurements on nuclear fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Sainte Catherine, C.; Le Boulch, D.; Carassou, S. [CEA Saclay, DEN/DMN, Bldg 625 P, Gif-Sur-Yvette, F-91191 (France); Lemaignan, C. [CEA Grenoble, 17 rue des Martyrs, Grenoble, F-38054 (France); Ramasubramanian, N. [ECCATEC Inc., 92 Deburn Drive, Toronto, Ontario (Canada)

    2006-07-01

    An understanding of the limiting stress level for crack initiation and propagation in a fuel cladding material is a fundamental requirement for the development of water reactor clad materials. Conventional tests, in use to evaluate fracture properties, are of limited help, because they are adapted from ASTM standards designed for thick materials, which differ significantly from fuel cladding geometry (small diameter thin-walled tubing). The Internal Conical Mandrel (ICM) test described here is designed to simulate the effect of fuel pellet diametrical increase on a cladding with an existing axial through-wall crack. It consists in forcing a cone, having a tapered increase in diameter, inside the Zircaloy cladding with an initial axial crack. The aim of this work is to quantify the crack initiation and propagation criteria for fuel cladding material. The crack propagation is monitored by a video system for obtaining crack extension {delta}a. A finite-element (FE) simulation of the ICM test is performed in order to derive J integrals. A node release technique is applied during the FE simulation for crack propagation and the J-resistance curves (J-{delta}a) are generated. This paper presents the test methodology, the J computation validation, and results for cold-worked stress relieved Zircaloy-4 cladding at 20 deg. and 300 deg. C and also for Al 7050-T7651 aluminum alloy tubing at 20 deg. C. (authors)

  5. Study on the Standard Establishment for the Integrity Assessment of Nuclear Fuel Cladding Materials

    Energy Technology Data Exchange (ETDEWEB)

    Kang, S-S; Kim, S-H; Jung, Y-K; Yang, C-Y; Kim, I-G; Choi, Y-H; Kim, H-J; Kim, M-W; Rho, B-H [KINS, Daejeon (Korea, Republic of)

    2008-02-15

    Fuel cladding material plays important role as a primary structure under the high temperature, high pressure and neutron environment of nuclear power plant. According to this environment, cladding material can be experienced several type aging phenomena including the neutron irradiation embrittlement. On the other hand, although the early nuclear power plant was designed to fitting into the 40MWd/KgU burn-up, the currently power plant intends to go to the high burn-up range. In this case, the safety criteria which was established at low burn-up needs to conform the applicability at the high burn-up. In this study, the safety criteria of fuel cladding material was reviewed to assess the cladding material integrity, and the material characteristics of cladding were reviewed. The current LOCA criterial was also reviewed, and the basic study for re-establishment of LOCA criteria was performed. The time concept safety criteria was also discussed to prevent the breakaway oxidation. Through the this study, safety issues will be produced and be helpful for integrity insurance of nuclear fuel cladding material. This report is the final report.

  6. Study on the standard establishment for the integrity assessment of nuclear fuel cladding Materials

    Energy Technology Data Exchange (ETDEWEB)

    Kang, S. S.; Kim, S. H.; Jung, Y. K.; Yang, C. Y.; Kim, I. G.; Choi, Y. H.; Kim, H. J.; Kim, M. W.; Rho, B. H. [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

    2007-02-15

    Fuel cladding material plays important role as a primary structure under the high temperature, high pressure and neutron environment of nuclear power plant. According to this environment, cladding material can be experienced several type aging phenomena including the neutron irradiation embrittlement. On the other hand, although the early nuclear power plant was designed to fitting into the 40MWd/KgU burn-up, the currently power plant intends to go to the high burn-up range. In this case, the safety criteria which was established at low burn-up needs to conform the applicability at the high burn-up. In this study, the safety criteria of fuel cladding material was reviewed to assess the cladding material integrity, and the material characteristics of cladding were reviewed. The current LOCA criterial was also reviewed, and the basic study for re-establishment of LOCA criteria was performed. The time concept safety criteria was also discussed to prevent the breakaway oxidation. Through the this study, safety issues will be produced and be helpful for integrity insurance of nuclear fuel cladding material. This report is 2nd term report.

  7. Nuclear fuel clad clothed with burnable poison and obtainment process

    International Nuclear Information System (INIS)

    Diez, P.; Netter, P.

    1994-01-01

    This clad has preferentially on its inner surface a boron compound such boron carbide or boron nitrogen deposited by Chemical Vapor Deposition or by Physical Vapor Deposition without any temperature elevation injurious to its mechanical properties. 3 figs

  8. Incorporation of Integral Fuel Burnable Absorbers Boron and Gadolinium into Zirconium-Alloy Fuel Clad Material

    International Nuclear Information System (INIS)

    Sridharan, K.; Renk, T.J.; Lahoda, E.J.; Corradini, M.L

    2004-01-01

    Long-lived fuels require the use of higher enrichments of 235U or other fissile materials. Such high levels of fissile material lead to excessive fuel activity at the beginning of life. To counteract this excessive activity, integral fuel burnable absorbers (IFBA) are added to some rods in the fuel assembly. The two commonly used IFBA elements are gadolinium, which is added as gadolinium-oxide to the UO2 powder, and boron, which is applied as a zirconium-diboride coating on the UO2 pellets using plasma spraying or chemical vapor deposition techniques. The incorporation of IFBA into the fuel has to be performed in a nuclear-regulated facility that is physically separated from the main plant. These operations tend to be very costly because of their small volume and can add from 20 to 30% to the manufacturing cost of the fuel. Other manufacturing issues that impact cost and performance are maintaining the correct levels of dosing, the reduction in fuel melting point due to gadolinium-oxide additions, and parasitic neutron absorption at fuel's end-of-life. The goal of the proposed research is to develop an alternative approach that involves incorporation of boron or gadolinium into the outer surface of the fuel cladding material rather than as an additive to the fuel pellets. This paradigm shift will allow for the introduction of the IFBA in a non-nuclear regulated environment and will obviate the necessity of additional handling and processing of the fuel pellets. This could represent significant cost savings and potentially lead to greater reproducibility and control of the burnable fuel in the early stages of the reactor operation. The surface alloying is being performed using the IBEST (Ion Beam Surface Treatment) process developed at Sandia National Laboratories. IBEST involves the delivery of energetic ion beam pulses onto the surface of a material, near-surface melting, and rapid solidification. The non-equilibrium nature of such processing allows f or surface

  9. Numerical Ballooning and Burst Prediction of Fuel Cladding During LOCA Transients in LWR

    International Nuclear Information System (INIS)

    Landau, E.; Weiss, Y.; Szanto, M.

    2014-01-01

    Modeling of nuclear fuel cladding behavior during a Loss of Coolant accident (LOCA) is a principal requirement in reactor safety analysis, most former safety criteria were obtained from experiments during the 1970's, conducted mainly with fresh fuels. Changes in modern fuel design, introduction of new cladding materials and motivation towards higher burn-ups have generated a need to re-examine safety criteria and their continued validity. This led to the growing development of both experiments and simulations meant to address this need. The Halden IFA-650 series of experiments for example, beginning in the early 2000's have clearly shown that existing criteria and experimental data are insufficient for the growing demand for higher burn-ups. Several codes for reactor core and fuel rod analysis exist nowadays, such as FRAPTRAN1.4 or RELAP5-3D . These are tailor-made codes, designed to predict general core behavior and fuel performance, and while they are also used in predicting core components behavior during accident conditions, including those of cladding ballooning and failure with good accuracy, they contain several limitations on modeling the full transient cladding thermo mechanical phenomena. Limitations such as mechanical models being one dimensional or in axisymmetric geometries only, relying mostly on analytical models therefore having further restricting assumptions in return for accuracy, etc. These limitations disable the simulation of several important aspects, such as modeling 3D azimuthal behavior for example. The objective of the current work is to develop a comprehensive numerical model for predicting zircalloy cladding thermo mechanical behavior during a LOCA. The model will eventually predicts full cladding ballooning and burst behavior followed by fuel relocation, for fuel rods that can be subjected to 3D distributed flux. The model is fully three dimensional and is created using the commercial FEM numerical simulation software ABAQUS© applying

  10. Mechanical modelling of transient- to- failure SFR fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Feria, F.; Herranz, L. E.

    2014-07-01

    The response of Sodium Fast Reactor (SFR) fuel rods to transient accident conditions is an important safety concern. During transients the cladding strain caused by the stress due to pellet cladding mechanical interaction (PCMI) can lead to failure. Due to the fact that SFR fuel rods are commonly clad with strengthened material made of stainless steel (SS), cladding is usually treated as an elastic-perfectly-plastic material. However, viscoplastic behaviour can contribute to mechanical strain at high temperature (> 1000 K). (Author)

  11. Thermal-Hydraulic Aspects of Changing the Nuclear Fuel-Cladding Materials from Zircaloy to Silicon Carbides

    International Nuclear Information System (INIS)

    Niceno, Bojan; Pouchon, Manuel

    2014-01-01

    The accident in Fukushima has drastically shown the drawbacks of Zircaloy claddings despite their beneficial properties in normal use. The effect of the lack of cooling and the production of hydrogen would not have been so strong if the fuel cladding had not consisted of a zirconium (or metal) alloy. International activities have been started to search for an alternative to Zircaloy, however, still on a limited basis. A project sponsored by Swissnuclear has been conducted at Paul Scherrer Institute (PSI) with the aim to close the gap in knowledge on application of silicon carbides (SiC) as potential replacement for Zircaloys as material for nuclear fuel cladding. The work was interdisciplinary, result of collaboration between different laboratories at PSI, and has focused on SiC cladding material properties, implication of its usage on neutronics and on thermal-hydraulics. This paper summarizes thermal-hydraulic aspects of changing Zircaloy for SiC as the cladding material. The change of cladding material inevitably changes the surface properties thus making a significant impact on boiling curve, and critical heat flux (CHF). Low chemical reactivity of SiC means fewer particles in the flow (less crud), which leads to fewer failures, but also decreases the CHF. Due to differences in physical properties between SiC and Zircaloys, higher brittleness of SiC in particular, might have impact on fuel-rod assembly design, which has direct influence on flow patterns and heat transfer in the fuel assembly. Higher melting (i.e. decomposition) point for SiC means that severe accident management guidelines (SAMG) should have to be re-assessed. Not only would the core degrade later than in the case of conventional fuels, but the production of hydrogen would be quite different as well. All these issues are explored in this work in two steps; first the SiC properties which may have influence on thermal-hydraulics are outlined, then each thermal-hydraulic issues is explained from

  12. Modeling of mechanical behavior of quenched zirconium-based nuclear fuel claddings after a high temperature oxidation

    International Nuclear Information System (INIS)

    Cabrera-Salcedo, A.

    2012-01-01

    During the second stage of Loss Of Coolant Accident (LOCA) in Pressurized Water Reactors (PWR) zirconium-based fuel claddings undergo a high temperature oxidation (up to 1200 C), then a water quench. After a single-side steam oxidation followed by a direct quench, the cladding is composed of three layers: an oxide (Zirconia) outer layer (formed at HT), always brittle at Room Temperature (RT), an intermediate oxygen stabilized alpha layer, always brittle at RT, called alpha(O), and an inner 'prior-beta' layer, which is the only layer able to keep some significant Post Quench (PQ) ductility at RT. However, hydrogen absorbed because of service exposure or during the LOCA transient, concentrates in this layer and may leads to its embrittlement. To estimate the PQ mechanical properties of these materials, Ring Compression Tests (RCT) are widely used because of their simplicity. Small sample size makes RCTs advantageous when a comparison with irradiated samples is required. Despite their good reproducibility, these tests are difficult to interpret as they often present two or more load drops on the engineering load-displacement curve. Laboratories disagree about their interpretation. This study proposes an original fracture scenario for a stratified PQ cladding tested by RCT, and its associated FE model. Strong oxygen content gradient effect on layers mechanical properties is taken into account in the model. PQ thermal stresses resulting from water quench of HT oxidized cladding are investigated, as well as progressive damage of three layers during an RCT. The proposed scenario is based on interrupted RCT analysis, post- RCT sample's outer layers observation for damage evaluation, RCTs of prior-beta single-layer rings, and mechanical behavior of especially chemically adjusted samples. The force displacement curves appearance is correctly reproduced using the obtained FE model. The proposed fracture scenario elucidates RCTs of quenched zirconium-based nuclear fuel

  13. The quest for safe and reliable fuel cladding materials

    International Nuclear Information System (INIS)

    Pino, Eddy S.; Abe, Alfredo Y.; Giovedi, Claudia

    2015-01-01

    The tragic Fukushima Daiichi Nuclear Plant accident of March, 2011, has brought great unrest and challenge to the nuclear industry, which, in collaboration with universities and nuclear research institutes, is making great efforts to improve the safety in nuclear reactors developing accident tolerant fuels (ATF). This involves the study of different materials to be applied as cladding and, also, the improvement in the fuel properties in order to enhance the fuel performance and safety, specifically under accident conditions. Related to the cladding, iron based alloys and silicon carbide (SiC) materials have been studied as a good alternative. In the case of austenitic stainless steel, there is the advantage that the austenitic stainless steel 304 was used as cladding material in the first PWR (Pressurized Water Reactor) registering a good performance. Then, alternated cladding materials such as iron based alloys (304, 310, 316, 347) should be used to replace the zirconium-based alloys in order to improve safety. In this paper, these cladding materials are evaluated in terms of their physical and chemical properties; among them, strength and creep resistance, thermal conductivity, thermal stability and corrosion resistance. Additionally, these properties are compared with those of conventional zirconium-based alloys, the most used material in actual PWR, to assess the advantages and disadvantages of each material concerning to fuel performance and safety contribution. (author)

  14. The quest for safe and reliable fuel cladding materials

    Energy Technology Data Exchange (ETDEWEB)

    Pino, Eddy S.; Abe, Alfredo Y., E-mail: eddypino132@hotmail.com [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Giovedi, Claudia, E-mail: claudia.giovedi@labrisco.usp.br [Universidade de Sao Paulo (POLI/USP), Sao Paulo, SP (Brazil). Lab. de Analise, Avaliacao e Gerenciamento de Risco

    2015-07-01

    The tragic Fukushima Daiichi Nuclear Plant accident of March, 2011, has brought great unrest and challenge to the nuclear industry, which, in collaboration with universities and nuclear research institutes, is making great efforts to improve the safety in nuclear reactors developing accident tolerant fuels (ATF). This involves the study of different materials to be applied as cladding and, also, the improvement in the fuel properties in order to enhance the fuel performance and safety, specifically under accident conditions. Related to the cladding, iron based alloys and silicon carbide (SiC) materials have been studied as a good alternative. In the case of austenitic stainless steel, there is the advantage that the austenitic stainless steel 304 was used as cladding material in the first PWR (Pressurized Water Reactor) registering a good performance. Then, alternated cladding materials such as iron based alloys (304, 310, 316, 347) should be used to replace the zirconium-based alloys in order to improve safety. In this paper, these cladding materials are evaluated in terms of their physical and chemical properties; among them, strength and creep resistance, thermal conductivity, thermal stability and corrosion resistance. Additionally, these properties are compared with those of conventional zirconium-based alloys, the most used material in actual PWR, to assess the advantages and disadvantages of each material concerning to fuel performance and safety contribution. (author)

  15. Influence of processing variables and alloy chemistry on the corrosion behavior of ZIRLO nuclear fuel cladding

    International Nuclear Information System (INIS)

    Comstock, R.J.; Sabol, G.P.; Schoenberger, G.

    1996-01-01

    Variations in the thermal heat treatments used during the fabrication of ZIRLO (Zr-1Nb-1Sn-0.1Fe) fuel clad tubing and in ZIRLO alloy chemistry were explored to develop a further understanding of the relationship between processing, microstructure, and cladding corrosion performance. Heat treatment variables included intermediate tube annealing temperatures as well as a beta-phase heat treatment during the latter stages of the tube reduction schedule. Chemistry variables included deviations in niobium and tin content from the nominal composition. The effects of both heat treatment and chemistry on corrosion behavior were assessed by autoclave tests in both pure and lithiated water and high-temperature steam. Analytical electron microscopy demonstrated that the best out-reactor corrosion performance is obtained for microstructures containing a fine distribution of beta-niobium and Zr-Nb-Fe particles. Deviations from this microstructure, such as the presence of beta-zirconium phase, tend to degrade corrosion resistance. ZIRLO fuel cladding was irradiated in four commercial reactors. In all cases, the microstructure in the cladding included beta-niobium and Zr-Nb-Fe particles. ZIRLO fuel cladding processed with a late-stage beta heat treatment to further refine the second-phase particle size exhibited in-reactor corrosion behavior that was similar to reference ZIRLO cladding. Variations of the in-reactor corrosion behavior of ZIRLO were correlated to tin content, with higher oxide thickness observed in the ZIRLO cladding containing higher tin. The results of these studies indicate that optimum corrosion performance of ZIRLO is achieved by maintaining a uniform distribution of fine second-phase particles and controlled levels of tin

  16. Fast, quantitative, and nondestructive evaluation of hydrided LWR fuel cladding by small angle incoherent neutron scattering of hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Y.; Qian, S.; Littrell, K.; Parish, C.M. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Plummer, L.K. [University of Oregon, Eugene, OR 97403 (United States)

    2015-05-15

    A nondestructive neutron scattering method to precisely measure the uptake of hydrogen and the distribution of hydride precipitates in light water reactor (LWR) fuel cladding was developed. Zircaloy-4 cladding used in commercial LWRs was used to produce hydrided specimens. The hydriding apparatus consists of a closed stainless-steel vessel that contains Zr alloy specimens and hydrogen gas. Following hydrogen charging, the hydrogen content of the hydrided specimens was measured using the vacuum hot extraction method, by which the samples with desired hydrogen concentrations were selected for the neutron study. Optical microscopy shows that our hydriding procedure results in uniform distribution of circumferential hydrides across the wall thickness. Small angle neutron incoherent scattering was performed in the High Flux Isotope Reactor at Oak Ridge National Laboratory. Our study demonstrates that the hydrogen in commercial Zircaloy-4 cladding can be measured very accurately in minutes by this nondestructive method over a wide range of hydrogen concentrations from a very small amount (≈20 ppm) to over 1000 ppm. The hydrogen distribution in a tube sample was obtained by scaling the neutron scattering rate with a factor determined by a calibration process using standard, destructive direct chemical analysis methods on the specimens. This scale factor can be used in future tests with unknown hydrogen concentrations, thus providing a nondestructive method for determining absolute hydrogen concentrations.

  17. Development of ODS (oxide dispersion strengthened) ferritic-martensitic steels for fast reactor fuel cladding

    International Nuclear Information System (INIS)

    Ukai, Shigeharu

    2000-01-01

    In order to attain higher burnup and higher coolant outlet temperature in fast reactor, oxide dispersion strengthened (ODS) ferritic-martensitic steels were developed as a long life fuel cladding. The improvement in formability and ductility, which are indispensable in the cold-rolling method for manufacturing cladding tube, were achieved by controlling the microstructure using techniques such as recrystallization heat-treatment and α to γ phase transformation. The ODS ferritic-martensitic cladding tubes manufactured using these techniques have the highest internal creep rupture strength in the world as ferritic stainless steels. Strength level approaches adequate value at 700degC, which meets the requirement for commercial fast reactors. (author)

  18. Evaluation of simulated-LOCA tests that produced large fuel cladding ballooning

    International Nuclear Information System (INIS)

    Powers, D.A.; Meyer, R.O.

    1979-02-01

    A description is given of the NRC review and evaluation of simulated-LOCA tests that produced large axially extended ballooing in Zircaloy fuel cladding. Technical summaries are presented on the likelihood of the transient that was used in the tests, the effects of temperature variations on strain localization, and the results of other similar experiments. It is concluded that (a) the large axially extended deformations were an artifact of the experimental technique, (b) current NRC licensing positions are not invalidated by this new information, and (c) no new research programs are needed to study this phenomenon

  19. Advanced LMFBR fuel cladding susceptability to stress corrosion due to reprocessing impurities

    International Nuclear Information System (INIS)

    Henslee, S.P.

    1987-03-01

    The potential degradation of LMFBR fuel cladding alloys by chlorides, when used in metallic fuel systems, was evaluated. The alloys tested were D-9 and HT-9 stainless steels, austenitic and ferritic alloys respectively. These two alloys were tested in parallel with and their performance compared to the austenitic stainless steel Type 316. All alloys were tested for 7400 hours in a stress rupture environment with chloride exposure at either 550/degree/C 650/degree/C. None of the alloys tested were found to exhibit any degradation in time-to-rupture by the presence of chlorides under the conditions imposed during testing. 8 refs., 4 figs., 2 tabs

  20. Neutron imaging of Zr-1%Nb fuel cladding material containing hydrogen

    International Nuclear Information System (INIS)

    Svab, E.; Meszaros, Gy.; Somogyvari, Z.; Balasko, M.; Koeroesi, F.

    2004-01-01

    Hydrogen distribution and hydride phases were analyzed in reactor fuel cladding pressure tube Zr-1%Nb material up to 13,300 ppm. From neutron diffraction measurements, formation of cubic δ-ZrH 2 and a small amount of tetragonal γ-ZrH was established. Texture effects were analyzed by imaging plate technique. From neutron radiography images a linear model was set up that adequately described the relationship between gray levels and nominal H-concentrations. The H-distribution was unveiled by 3D intensity histograms and fractal analysis of multilevel-segmented neutron radiography images

  1. Plastic deformation and fracture behavior of zircaloy-2 fuel cladding tubes under biaxial stress

    International Nuclear Information System (INIS)

    Maki, Hideo; Ooyama, Masatosi

    1975-01-01

    Various combinations of biaxial stress were applied on five batches of recrystallized zircaloy-2 fuel cladding tubes with different textures; elongation in both axial and circumferential directions of the specimen was measured continuously up to 5% plastic deformation. The anisotropic theory of plasticity proposed by Hill was applied to the resulting data, and anisotropy constants were obtained through the two media of plastic strain loci and plastic strain ratios. Comparison of the results obtained with the two methods proved that the plastic strain loci provide data that are more effective in predicting quantitatively the plastic deformation behavior of the zircaloy-2 tubes. The anisotropy constants change their value with progress of plastic deformation, and judicious application of the effective stress and effective strain obtained on anisotropic materials will permit the relationship between stress and strain under various biaxialities of stresses to be approximated by the work hardening law. The test specimens used in the plastic deformation experiments were then stressed to fracture under the same combination of biaxial stress as in the proceeding experiments, and the deformation in the fractured part was measured. The result proved that the tilt angle of the c-axis which serves as the index of texture is related to fracture ductility under biaxial stress. Based on this relationship, it was concluded that material with a tilt angle ranging from 10 0 to 15 0 is the most suitable for fuel cladding tubes, from the viewpoint of fracture ductility, at least in the case of unirradiated material. (auth.)

  2. Advanced Fuel/Cladding Testing Capabilities in the ORNL High Flux Isotope Reactor

    International Nuclear Information System (INIS)

    Ott, Larry J.; Ellis, Ronald James; McDuffee, Joel Lee; Spellman, Donald J.; Bevard, Bruce Balkcom

    2009-01-01

    The ability to test advanced fuels and cladding materials under reactor operating conditions in the United States is limited. The Oak Ridge National Laboratory (ORNL) High Flux Isotope Reactor (HFIR) and the newly expanded post-irradiation examination (PIE) capability at the ORNL Irradiated Fuels Examination Laboratory provide unique support for this type of advanced fuel/cladding development effort. The wide breadth of ORNL's fuels and materials research divisions provides all the necessary fuel development capabilities in one location. At ORNL, facilities are available from test fuel fabrication, to irradiation in HFIR under either thermal or fast reactor conditions, to a complete suite of PIEs, and to final product disposal. There are very few locations in the world where this full range of capabilities exists. New testing capabilities at HFIR have been developed that allow testing of advanced nuclear fuels and cladding materials under prototypic operating conditions (i.e., for both fast-spectrum conditions and light-water-reactor conditions). This paper will describe the HFIR testing capabilities, the new advanced fuel/cladding testing facilities, and the initial cooperative irradiation experiment that begins this year.

  3. Reactor fuel cladding tube with excellent corrosion resistance and method of manufacturing the same

    International Nuclear Information System (INIS)

    Okuda, Takanari; Kanehara, Mitsuo; Abe, Katsuhiro; Nishimura, Takashi.

    1995-01-01

    The present invention provides a fuel cladding tube having an excellent corrosion resistance and thus a long life, and a suitable manufacturing method therefor. Namely, in the fuel cladding tube, the outer circumference of an inner layer made of a zirconium base alloy is coated with an outer layer made of a metal more corrosion resistant than the zirconium base alloy. Ti or a titanium alloy is suitable for the corrosion resistant metal. In addition, the outer layer can be coated by a method such as vapor deposition or plating, not limited to joining of the inner layer material and the outer layer material. Specifically, a composite material having an inner layer made of a zirconium alloy coated by the outer material made of a titanium alloy is applied with hot fabrication at a temperature within a range of from 500 to 850degC and at a fabrication rate of not less than 5%. The fabrication method includes any of extrusion, rolling, drawing, and casting. As the titanium-base alloy, a Ti-Al alloy or a Ti-Nb alloy containing Al of not more than 20wt%, or Nb of not more than 20wt% is preferred. (I.S.)

  4. Deformation, oxidation and embrittlement of PWB fuel cladding in a loss-of-coolant accident

    Energy Technology Data Exchange (ETDEWEB)

    Parsons, P.D.; Hindle, E.D.; Mann, C.A.

    1986-09-01

    The scope of this report is limited to the oxidation, embrittlement and deformation of PWB fuel in a loss of coolant accident in which the emergency core coolant systems operate in accordance with the design, ie accidents within the design basis of the plant. A brief description is given of the thermal hydraulic events during large and small breaks of the primary circuit, followed by the correct functioning and remedial action of the emergency core cooling systems. The possible damage to the fuel cladding during these events is also described. The basic process of oxidation of zircaloy-4 fuel cladding by steam, and the reaction kinetics of the oxidation are reviewed in detail. Variables having a possible influence on the oxidation kinetics are also considered. The embrittlement of zircaloy-4 cladding by oxidation is also reviewed in detail. It is related to fracture during the thermal shock of rewetting or by the ambient impact forces as a result of post-accident fuel handling. Criteria based both on total oxidation and on the detailed distribution of oxygen through the oxidised cladding wall are considered. The published computer codes for the calculation of oxygen concentration are reviewed in terms of the model employed and the limitations apparent in these models when calculating oxygen distribution in cladding in the actual conditions of a loss of coolant accident. The factors controlling the deformation and rupture of cladding in a loss of coolant accident are reviewed in detail.

  5. Technique Comparison of the Fracture Toughness Tests for Irradiated Fuel Claddings in a Hot Cell

    International Nuclear Information System (INIS)

    Ahn, Sangbok; Kim, Dosik; Jung, Yanghong; Choo, Yongsun; Ryu, Wooseog

    2007-01-01

    The degradation of a fracture toughness in a fuel cladding is a important factor to restrict the operation safety in nuclear power plants. The fracture properties of claddings were traditionally measured through a rubber bung test, a burst test, etc. Those results were the qualitative fracture characteristics, and could not be used as design or operation safety evaluation data. We need to evaluate the quantitative characteristics of claddings under normal operation and in accidents. The application of a fracture mechanics concept in testing a fuel cladding is restricted by the cladding geometry and creating the correct stress-state conditions. The geometry of claddings does not meet the requirement of the ASTM Standards for a specimen configuration and an applied load. The specimen may be produced from previously flattened claddings, but the flattening causes some uncertainties in the results due to changes in the microstructure of the material and a new distribution of the internal stresses. Therefore many efforts have been devoted to developing new test techniques, to quantify the fracture characteristics of claddings. Researchers from JAEA and NFI in Japan, Studsvik Company Ltd in Sweden, IAEA in Australia, and KAERI in Korea have independently developed fracture test techniques. This study is designed to review the independently developed techniques and to compare of their merits. Finally we shall apply the other techniques to upgrade our developing techniques

  6. Rupture behaviour of nuclear fuel cladding during loss-of-coolant accident

    Energy Technology Data Exchange (ETDEWEB)

    Suman, Siddharth [Department of Mechanical Engineering, Indian Institute of Technology Patna, Patna 801 103 (India); Khan, Mohd Kaleem, E-mail: mkkhan@iitp.ac.in [Department of Mechanical Engineering, Indian Institute of Technology Patna, Patna 801 103 (India); Pathak, Manabendra [Department of Mechanical Engineering, Indian Institute of Technology Patna, Patna 801 103 (India); Singh, R.N.; Chakravartty, J.K. [Mechanical Metallurgy Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2016-10-15

    Highlights: • Modelling of nuclear fuel cladding during loss-of-coolant accident transient. • Phase transformation, corrosion, and creep combined to evaluate burst criterion. • Effect of oxygen concentration on burst stress and burst strain. • Effect of heating rate, internal pressure fluctuation, shear modulus incorporated. - Abstract: A burst criterion model accounting the simultaneous phenomena of corrosion, solute-strengthening effect of oxygen, oxygen concentration based non-isothermal phase transformation, and thermal creep has been developed to predict the rupture behaviour of zircaloy-4 nuclear fuel cladding during the loss-of-coolant accident transients. The present burst criterion model has been validated using experimental data obtained from single-rod transient burst tests performed in steam environment. The predictions are in good agreement with the experimental results. A detailed computational analysis has been performed to assess the role of different parameters in the rupture of zircaloy cladding during loss-of-coolant accidents. This model reveals that at low temperatures, lower heating rates produce higher burst strains as oxidation effect is nominal. For high temperatures, the lower heating rates produce less burst strains, whereas higher heating rates yield greater burst strains.

  7. Development of Cold Spray Coatings for Accident-Tolerant Fuel Cladding in Light Water Reactors

    Science.gov (United States)

    Maier, Benjamin; Yeom, Hwasung; Johnson, Greg; Dabney, Tyler; Walters, Jorie; Romero, Javier; Shah, Hemant; Xu, Peng; Sridharan, Kumar

    2018-02-01

    The cold spray coating process has been developed at the University of Wisconsin-Madison for the deposition of oxidation-resistant coatings on zirconium alloy light water reactor fuel cladding with the goal of improving accident tolerance during loss of coolant scenarios. Coatings of metallic (Cr), alloy (FeCrAl), and ceramic (Ti2AlC) materials were successfully deposited on zirconium alloy flats and cladding tube sections by optimizing the powder size, gas preheat temperature, pressure and composition, and other process parameters. The coatings were dense and exhibited excellent adhesion to the substrate. Evaluation of the samples after high-temperature oxidation tests at temperatures up to 1300°C showed that the cold spray coatings significantly mitigate oxidation kinetics because of the formation of thin passive oxide layers on the surface. The results of the study indicate that the cold spray coating process is a viable near-term option for developing accident-tolerant zirconium alloy fuel cladding.

  8. Integrity assessment of research reactor fuel cladding and material testing using eddy current inspection

    International Nuclear Information System (INIS)

    Alencar, Donizete Anderson de

    2004-01-01

    A methodology to perform the integrity assessment of research reactors nuclear fuels cladding, such as those installed in IPR-Rl (TRIGA) and IEA-R1 (MTR), using nondestructive electromagnetic inspection (eddy current) is presented. This methodology is constituted by: the development of calibration reference standards, specific for each type of fuel; the development of special test probes; the recommendations for the inspection equipment calibration; the construction of voltage based evaluation curves and the inspection procedures developed for the characterization of detected flaws. The test probes development, specially those designed for the inspection of MTR fuels cladding, which present access difficulties due to the narrow gap between fuel plates (2,89 mm for IEAR-R1), constituted a challenge that demanded the introduction of unusual materials and constructive techniques. The operational performance of the developed resources, as well as the special operative characteristics of the test probes, such as their immunity to adjacent fuel plates interference and electrical resistivity changes of the fuels meat are experimentally demonstrated. The practical applicability of the developed methodology is verified in non radioactive environment, using a dummy MTR fuel element model, similar to an IEA-R1 reactor fuel element, produced and installed in IPEN, Sao Paulo. The efficacy of the proposed methodology was verified by the achieved results. (author)

  9. The deformation, oxidation and embrittlement of PWB fuel cladding in a loss-of-coolant accident

    International Nuclear Information System (INIS)

    Parsons, P.D.; Hindle, E.D.; Mann, C.A.

    1986-09-01

    The scope of this report is limited to the oxidation, embrittlement and deformation of PWB fuel in a loss of coolant accident in which the emergency core coolant systems operate in accordance with the design, ie accidents within the design basis of the plant. A brief description is given of the thermal hydraulic events during large and small breaks of the primary circuit, followed by the correct functioning and remedial action of the emergency core cooling systems. The possible damage to the fuel cladding during these events is also described. The basic process of oxidation of zircaloy-4 fuel cladding by steam, and the reaction kinetics of the oxidation are reviewed in detail. Variables having a possible influence on the oxidation kinetics are also considered. The embrittlement of zircaloy-4 cladding by oxidation is also reviewed in detail. It is related to fracture during the thermal shock of rewetting or by the ambient impact forces as a result of post-accident fuel handling. Criteria based both on total oxidation and on the detailed distribution of oxygen through the oxidised cladding wall are considered. The published computer codes for the calculation of oxygen concentration are reviewed in terms of the model employed and the limitations apparent in these models when calculating oxygen distribution in cladding in the actual conditions of a loss of coolant accident. The factors controlling the deformation and rupture of cladding in a loss of coolant accident are reviewed in detail. (author)

  10. Irradiation experiments on materials for core internals, pressure vessel and fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Tsukada, Takashi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    Materials degradation due to the aging phenomena is one of the key issues for the life assessment and extension of the light water reactors (LWRs). This presentation introduces JAERI`s activities in the field of LWR material researches which utilize the research and testing reactors for irradiation experiments. The activities are including the material studies for the core internals, pressure vessel and fuel cladding. These materials are exposed to the neutron/gamma radiation and high temperature water environments so that it is worth reviewing their degradation phenomena as the continuum. Three topics are presented; For the core internal materials, the irradiation assisted stress corrosion cracking (IASCC) of austenitic stainless steels is the present major concern. At JAERI the effects of alloying elements on IASCC have been investigated through the post-irradiation stress corrosion cracking tests in high-temperature water. The radiation embrittlement of pressure vessel steels is still a significant issue for LWR safety, and at JAERI some factors affecting the embrittlement behavior such as a dose rate have been investigated. Waterside corrosion of Zircaloy fuel cladding is one of the limiting factors in fuel rod performance and an in-situ measurement of the corrosion rate in high-temperature water was performed in JMTR. To improve the reliability of experiments and to extent the applicability of experimental techniques, a mutual utilization of the technical achievements in those irradiation experiments is desired. (author)

  11. High Temperature Steam Oxidation Testing of Candidate Accident Tolerant Fuel Cladding Materials

    Energy Technology Data Exchange (ETDEWEB)

    Pint, Bruce A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Terrani, Kurt A [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Nelson, Andrew [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Parker, Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Parkison, Adam [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2013-12-23

    The Fuel Cycle Research and Development (FCRD) program’s Advanced Fuels Campaign has initiated a multifold effort aimed at facilitating development of accident tolerant fuels in order to overcome the inherent shortcomings of light water reactor (LWR) fuels when exposed to beyond design basis accident conditions. The campaign has invested in development of experimental infrastructure within the Department of Energy complex capable of chronicling the performance of a wide range of concepts under prototypic accident conditions. This report summarizes progress made at Oak Ridge National Laboratory (ORNL) and Los Alamos National Laboratory (LANL) in FY13 toward these goals. Alternative fuel cladding materials to Zircaloy for accident tolerance and a significantly extended safety margin requires oxidation resistance to steam or steam-H2 environments at ≥1200°C for short times. At ORNL, prior work focused attention on SiC, FeCr and FeCrAl as the most promising candidates for further development. Also, it was observed that elevated pressure and H2 additions had minor effects on alloy steam oxidation resistance, thus, 1 bar steam was adequate for screening potential candidates. Commercial Fe-20Cr-5Al alloys remain protective up to 1475°C in steam and CVD SiC up to 1700°C in steam. Alloy development has focused on Fe-Cr-Mn-Si-Y and Fe-Cr-Al-Y alloys with the aluminaforming alloys showing more promise. At 1200°C, ferritic binary Fe-Cr alloys required ≥25% Cr to be protective for this application. With minor alloy additions to Fe-Cr, more than 20%Cr was still required, which makes the alloy susceptible to α’ embrittlement. Based on current results, a Fe-15Cr-5Al-Y composition was selected for initial tube fabrication and welding for irradiation experiments in FY14. Evaluations of chemical vapor deposited (CVD) SiC were conducted up to 1700°C in steam. The reaction of H2O with the alumina reaction tube at 1700°C resulted in Al(OH)3

  12. Biaxial creep deformation of Zircaloy-4 PWR fuel cladding in the alpha,(alpha + beta) and beta phase temperature ranges

    International Nuclear Information System (INIS)

    Donaldson, A.T.; Healey, T.; Horwood, R.A.L.

    1985-01-01

    The biaxial creep behaviour of Zircaloy-4 fuel cladding has been determined at temperatures between 973 - 1073 K in the alpha phase range, in the duplex (alpha + beta) region between 1098 - 1223 K and in the beta phase range between 1323 - 1473 K. This paper presents the creep data together with empirical equations which describe the creep deformation response within each phase region. (author)

  13. On LMFBR corrosion. Part II: Consideration of the in-reactor fuel-cladding system

    International Nuclear Information System (INIS)

    Bradbury, M.H.; Pickering, S.; Walker, C.T.; Whitlow, W.H.

    1976-05-01

    The scientific and technological aspects of LMFBR cladding corrosion are discussed in detail. Emphasis is placed on the influence of the irradiation environment and the effect of fuel and filler-gas impurities on the corrosion process. These studies are complemented by a concise review of out-of-pile simulation experiments that endeavour to clarify the role of the aggressive fission products cesium, tellurium and iodine. The principal models for cladding corrosion are presented and critically assessed. Areas of uncertainty are exposed and some pertinent experiments are suggested. Consideration is also given to some new observations regarding the role of stress in fuel-cladding reactions and the formation of ferrite in the corrosion zone of the cladding during irradiation. Finally, two technological solutions to the problem of cladding corrosion are proposed. These are based on the use of an oxygen buffer in the fuel and the application of a protective coating to the inner surface of the cladding

  14. Microstructural investigations of fast reactor irradiated austenitic and ferritic-martensitic stainless steel fuel cladding

    International Nuclear Information System (INIS)

    Agueev, V.S.; Medvedeva, E.A.; Mitrofanova, N.M.; Romanueev, V.V.; Tselishev, A.V.

    1992-01-01

    Electron microscopy has been used to characterize the microstructural changes induced in advanced fast reactor fuel claddings fabricated from Cr16Ni15Mo3NbB and Cr16Ni15Mo2Mn2TiVB austenitic stainless steels in the cold worked condition and Cr13Mo2NbVB ferritic -martensitic steel following irradiation in the BOR-60, BN-350 and BN-600 fast reactors. The data are compared with the results obtained from a typical austenitic commercial cladding material, Cr16Ni15Mo3Nb, in the cold worked condition. The results reveal a beneficial effect of boron and other alloying elements in reducing void swelling in 16Cr-15Ni type austenitic steels. The high resistance of ferritic-martensitic steels to void swelling has been confirmed in the Cr13Mo2NbVB steel. (author)

  15. SiC/SiC fuel cladding R and D Project 'SCARLET': Status and future plan

    International Nuclear Information System (INIS)

    Kishimoto, Hirotatsu; Kohyama, Akira

    2015-01-01

    This paper provides the recent progress in SiC/SiC development towards early utilisation for LWRs based on NITE method. After the March 11 Disaster in East-Japan, ensuring safe technology for LWR became a top priority R and D in nuclear energy policy of Japan. Along this line, replacement of Zircaloy claddings with SiC/SiC based fuel cladding is becoming one of the most attractive options and a MEXT fund based project, SCARLET, and a METI fund based project have been launched as 5-year termed projects at Muroran Institute of Technology. These projects care for NITE process for making long SiC/SiC fuel pins and connecting technology integration. The SCARLET project also includes coolant compatibility and irradiation effect evaluations as LWR and LMFBR materials. The outline and the present status of the SCARLET project will be briefly introduced in the present paper. (authors)

  16. Characterization of SiC–SiC composites for accident tolerant fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Deck, C.P., E-mail: Christian.Deck@ga.com; Jacobsen, G.M.; Sheeder, J.; Gutierrez, O.; Zhang, J.; Stone, J.; Khalifa, H.E.; Back, C.A.

    2015-11-15

    Silicon carbide (SiC) is being investigated for accident tolerant fuel cladding applications due to its high temperature strength, exceptional stability under irradiation, and reduced oxidation compared to Zircaloy under accident conditions. An engineered cladding design combining monolithic SiC and SiC–SiC composite layers could offer a tough, hermetic structure to provide improved performance and safety, with a failure rate comparable to current Zircaloy cladding. Modeling and design efforts require a thorough understanding of the properties and structure of SiC-based cladding. Furthermore, both fabrication and characterization of long, thin-walled SiC–SiC tubes to meet application requirements are challenging. In this work, mechanical and thermal properties of unirradiated, as-fabricated SiC-based cladding structures were measured, and permeability and dimensional control were assessed. In order to account for the tubular geometry of the cladding designs, development and modification of several characterization methods were required.

  17. Iodine-induced stress corrosion cracking of fixed deflection stressed slotted rings of Zircaloy fuel cladding

    International Nuclear Information System (INIS)

    Sejnoha, R.; Wood, J.C.

    1978-01-01

    Stress corrosion cracking of Zircaloy fuel cladding by fission products is thought to be an important mechanism influencing power ramping defects of water-reactor fuels. We have used the fixed-deflection stressed slotted-ring technique to demonstrate cracking. The results show both the sensitivity and limitations of the stressed slotted-ring method in determining the responses of tubing to stress corrosion cracking. They are interpreted in terms of stress relaxation behavior, both on a microscopic scale for hydrogen-induced stress-relief and on a macroscopic scale for stress-time characteristics. Analysis also takes account of nonuniform plastic deformation during loading and residual stress buildup on unloading. 27 refs

  18. FABRICATION AND MATERIAL ISSUES FOR THE APPLICATION OF SiC COMPOSITES TO LWR FUEL CLADDING

    Directory of Open Access Journals (Sweden)

    WEON-JU KIM

    2013-08-01

    Full Text Available The fabrication methods and requirements of the fiber, interphase, and matrix of nuclear grade SiCf/SiC composites are briefly reviewed. A CVI-processed SiCf/SiC composite with a PyC or (PyC-SiCn interphase utilizing Hi-Nicalon Type S or Tyranno SA3 fiber is currently the best combination in terms of the irradiation performance. We also describe important material issues for the application of SiC composites to LWR fuel cladding. The kinetics of the SiC corrosion under LWR conditions needs to be clarified to confirm the possibility of a burn-up extension and the cost-benefit effect of the SiC composite cladding. In addition, the development of end-plug joining technology and fission products retention capability of the ceramic composite tube would be key challenges for the successful application of SiC composite cladding.

  19. Capabilities to improve corrosion resistance of fuel claddings by using powerful laser and plasma sources

    Energy Technology Data Exchange (ETDEWEB)

    Borisov, V. M., E-mail: borisov@triniti.ru; Trofimov, V. N.; Sapozhkov, A. Yu.; Kuzmenko, V. A.; Mikhaylov, V. B.; Cherkovets, V. Ye.; Yakushkin, A. A. [Troitsk Institute for Innovation and Fusion Research (Russian Federation); Yakushin, V. L.; Dzhumayev, P. S. [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute) (Russian Federation)

    2016-12-15

    The treatment conditions of fuel claddings of the E110 alloy by using powerful UV or IR laser radiation, which lead to the increase in the corrosion resistance at the high-temperature (T = 1100°C) oxidation simulating a loss-of-coolant accident, are determined. The possibility of the complete suppression of corrosion under these conditions by using pulsed laser deposition of a Cr layer is demonstrated. The behavior of protective coatings of Al, Al{sub 2}O{sub 3}, and Cr planted on steel EP823 by pulsed laser deposition, which is planned to be used in the BREST-OD-300, is studied. The methods of the almost complete suppression of corrosion in liquid lead to the temperature of 720°C are shown.

  20. Effect of reactor chemistry and operating variables on fuel cladding corrosion in PWRs

    International Nuclear Information System (INIS)

    Park, Moon Ghu; Lee, Sang Hee

    1997-01-01

    As the nuclear industry extends the fuel cycle length, waterside corrosion of zircaloy cladding has become a limiting factor in PWR fuel design. Many plant chemistry factors such as, higher lithium/boron concentration in the primary coolant can influence the corrosion behavior of zircaloy cladding. The chemistry effect can be amplified in higher duty fuel, particularlywhen surface boiling occurs. Local boiling can result in increased crud deposition on fuel cladding which may induce axial power offset anomalies (AOA), recently reported in several PWR units. In this study, the effect of reactor chemistry and operating variables on Zircaloy cladding corrosion is investigated and simulation studies are performed to evaluate the optimal primary chemistry condition for extended cycle operation. (author). 8 refs., 3 tabs., 16 figs

  1. Thermal and irradiation effects on high-temperature mechanical properties of materials for SCWR fuel cladding

    International Nuclear Information System (INIS)

    Kano, F.; Tsuchiya, Y.; Oka, K.

    2009-01-01

    The thermal and irradiation effects on high-temperature mechanical properties are examined for candidate alloys for fuel cladding of supercritical water-cooled reactors (SCRWs). JMTR (Japan Materials Testing Reactor) and Experimental Fast Reactor JOYO were utilized for neutron irradiation tests, considering their fluence and temperature. Irradiation was performed with JMTR at 600degC up to 4x10 24 n/m 2 and with JOYO at 600degC and 700degC up to 6x10 25 n/m 2 . Tensile test, creep test and hardness measurement were carried out for high-temperature mechanical properties. Based on the uniaxial creep test, the extrapolation curves were drawn with time-temperature relationships utilizing the Larson and Miller Parameter. Several candidate alloys are expected to satisfy the design requirement from the estimation of the creep rupture stress for 50000 hours. Comparing the creep strengths under irradiated and unirradiated conditions, it was inferred that creep deformation was dominated by the thermal effect rather than the irradiation at SCWR core condition. The microstructure was examined using transmission electron microscope (TEM) analysis, focusing on void swelling and helium (He) bubble formation. Void formation was observed in the materials irradiated with JOYO at 600degC but not at 700degC. However, its effect on the deformation of components was estimated to be tolerable since their size and density were negligibly small. The manufacturability of the thin-wall, small-diameter tube was confirmed for the potential candidate alloys through the trial tests in the factory where the fuel cladding tube is manufactured. (author)

  2. Advanced in-situ characterisation of corrosion properties of LWR fuel cladding materials

    International Nuclear Information System (INIS)

    Arilahti, E.; Bojinov, M.; Beverskog, B.

    1999-01-01

    The trend towards higher fuel burnups imposes a demand for better corrosion and hydriding resistance of cladding materials. Development of new and improved cladding materials is a long process. There is a lack of fast and reliable in-situ techniques to investigate zirconium alloys in simulated or in-core LWR coolant conditions. This paper describes a Thin Layer Electrode (TLE) arrangement suitable for in-situ characterization of oxide films formed on fuel cladding materials. This arrangement enables us to carry out: Versatile Thin Layer Electrochemical measurements, including: (i) Thin Layer Electrochemical impedance Spectroscopic (TLEIS) measurements to characterize the oxidation kinetics and mechanisms of metals and the properties of their oxide films in aqueous environments. These measurements can also be performed in low conductivity electrolytes. (ii) Thin-Layer Wall-Jet (TLWJ) measurements, which give the possibility to detect soluble reaction products and to evaluate the influence of novel water chemistry additions on their release. Solid Contact measurements: (i) Contact Electric Resistance (CER) measurements to investigate the electronic properties of surface films on the basis of d.c. resistance measurements. (i) Contact Electric impedance (CEI) measurements to study the electronic properties of surface films using a.c. perturbation. All the above listed measurements can be performed using one single measurement device developed at VTT. This device can be conveniently inserted into an autoclave. Its geometry is currently being optimized in cooperation with the OECD Halden Reactor Project. In addition, the applicability of the device for in-core measurements has been investigated in a joint feasibility study performed by VTT and JRC Petten. Results of some autoclave studies of the effect of LiOH concentration on the stability of fuel cladding oxide films are presented in this paper. (author)

  3. 2nd Gen FeCrAl ODS Alloy Development For Accident-Tolerant Fuel Cladding

    Energy Technology Data Exchange (ETDEWEB)

    Dryepondt, Sebastien N. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Massey, Caleb P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Edmondson, Philip D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-08-01

    Extensive research at ORNL aims at developing advanced low-Cr high strength FeCrAl alloys for accident tolerant fuel cladding. One task focuses on the fabrication of new low Cr oxide dispersion strengthened (ODS) FeCrAl alloys. The first Fe-12Cr-5Al+Y2O3 (+ ZrO2 or TiO2) ODS alloys exhibited excellent tensile strength up to 800 C and good oxidation resistance in steam up to 1400 C, but very limited plastic deformation at temperature ranging from room to 800 C. To improve alloy ductility, several fabrication parameters were considered. New Fe-10-12Cr-6Al gas-atomized powders containing 0.15 to 0.5wt% Zr were procured and ball milled for 10h, 20h or 40h with Y2O3. The resulting powder was then extruded at temperature ranging from 900 to 1050 C. Decreasing the ball milling time or increasing the extrusion temperature changed the alloy grain size leading to lower strength but enhanced ductility. Small variations of the Cr, Zr, O and N content did not seem to significantly impact the alloy tensile properties, and, overall, the 2nd gen ODS FeCrAl alloys showed significantly better ductility than the 1st gen alloys. Tube fabrication needed for fuel cladding will require cold or warm working associated with softening heat treatments, work was therefore initiated to assess the effect of these fabrications steps on the alloy microstructure and properties. This report has been submitted as fulfillment of milestone M3FT 16OR020202091 titled, Report on 2nd Gen FeCrAl ODS Alloy Development for the Department of Energy Office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program.

  4. Study of the aqueous corrosion mechanisms and kinetics of the AlFeNi aluminium based alloy used for the fuel cladding in the Jules Horowitz research reactor

    International Nuclear Information System (INIS)

    Wintergerst, M.

    2009-05-01

    For the Jules Horowitz new material-testing reactor (JHR), an aluminium base alloy, called AlFeNi, will be used for the cladding of the fuel plates. This alloy (Al - 1% Fe - 1% Ni - 1 % Mg), which is already used as fuel cladding, was developed for its good corrosion resistance in water at high temperatures. However, few studies dealing with the alteration process in water and the relationships with irradiation effects have been performed on this alloy. The conception of the JHR fuel requires a better knowledge of the corrosion mechanisms. Corrosion tests were performed in autoclaves at 70 C, 165 C and 250 C on AlFeNi plates representative of the fuel cladding. Several techniques were used to characterize the corrosion scale: SEM, TEM, EPMA, XRD, Raman spectroscopy. Our observations show that the corrosion scale is made of two main layers: a dense amorphous scale close to the metal and a porous crystalline scale in contact with the water. More than the morphology, the chemical compositions of both layers are different. This duplex structure results from a mixed growth mechanism: an anionic growth to develop the inner oxide and a cationic diffusion followed by a dissolution-precipitation process to form the outer one. Dynamic experiments at 70 C and corrosion kinetics measurements have demonstrated that the oxide growth process is controlled by a diffusion step associated to a dissolution/precipitation process. A corrosion mechanism of the AlFeNi alloy in aqueous media has been proposed. Then post-irradiation exams performed on irradiated fuel plates were used to investigate the effects of the irradiation on the corrosion behaviour in the reactor core. (author)

  5. Study of radiation effects on zircaloy 4 microstructure (Impact on susceptibility to fuel pellet-cladding interaction in PWR)

    International Nuclear Information System (INIS)

    Lefebvre, F.

    1989-01-01

    In PWR the fast neutron flux is an important parameter for fuel can aging by modification of zircaloy-4 microstructure: amorphisation and dissolution of intermetallic precipitates. These phenomena are both analysed and their influence on fuel-cladding interaction is discussed. Irradiations by 1 MeV electrons, Ar ions, Kr ions and fast neutrons are realized for comparison of damages with different defect creation kinetics. Amorphisation is explained as the crystal amorphous state transformation allowing precipitate dissolution by creation of a chemical potential gradient between matrix and amorphous phase. Progressive dissolution of precipitates produced by irradiation decrease the number of potential sites for stress corrosion cracking, improving rupture resistance of the alloy by fuel-cladding interaction [fr

  6. Effect of surface oxidation of ZIRLO fuel cladding tube on crud deposition

    International Nuclear Information System (INIS)

    Park, Moon Sic; Baek, Seung Heon; Shim, Hee-Sang; Kim, Jung Gu; Hur, Do Haeng

    2016-01-01

    Crud has often led a lot of problems in the primary coolant system such as fuel cladding corrosion, power distortion and reduction, and radio-activity build-up of out-of-core [2-3]. Although a crud-induced localized corrosion (CILC) is a severe accident, in which fuel is leaked into the coolant, it is rarely happened but a crud-induced power shift (CIPS) has frequently occurred in worldwide PWR plants. CIPS, or power axial offset anomaly (AOA) has long been realized in the nuclear industry since early 1970s. In late 1980s, severe AOA phenomena were found in Callaway plants in U. S. and later in many power plants around the world. The axial offset (AO) is defined by the power distortion between the top half of the core and the bottom half of the core. When the plant exceeds acceptable limit of 3% in AO value, it is judged as AOA occurrence and this is forced to reduce power or shutdown. AOA is caused by a hideout for large accumulation of boron into porous crud and its formation is accelerated by increased sub-cooled nucleate boiling (SNB) with sufficient corrosion product supply. Crud has often led a lot of problems in the primary coolant system such as fuel cladding corrosion, power distortion and reduction, and radio-activity build-up of out-of-core. Although a crud-induced localized corrosion (CILC) is a severe accident, in which fuel is leaked into the coolant, it is rarely happened but a crud-induced power shift (CIPS) has frequently occurred in worldwide PWR plants. CIPS, or power axial offset anomaly (AOA) has long been realized in the nuclear industry since early 1970s. In late 1980s, severe AOA phenomena were found in Callaway plants in U. S. and later in many power plants around the world. The axial offset (AO) is defined by the power distortion between the top half of the core and the bottom half of the core. When the plant exceeds acceptable limit of 3% in AO value, it is judged as AOA occurrence and this is forced to reduce power or shutdown. AOA is

  7. Patent Analysis of Ferritic/Martensitic Steels for the Fuel Cladding in Sodium-cooled Fast Reactor

    International Nuclear Information System (INIS)

    Baek, Jong Hyuk; Kim, Sung Ho; Kim, Tae Kyu; Kim, Woo Gon; Jang, Jin Sung; Kim, Dae Whan; Han, Chang Hee; Lee, Chan Bock

    2007-09-01

    The Korean, Japanese, U.S. and European patents related to the ferritic/martensitic steels were systematically surveyed to evaluate their patent status, which would be applicable to the fuel cladding materials for the Sodium-cooled Fast Reactor (SFR). From the surveys, totally 38 patents were finally selected for the quantitative and qualitative analysis. Among them, 28 patents (74%) were processed by Japanese companies and Sumitomo Metal industries Ltd. was top-ranked in the number (9) of priority patents. On the basis of these surveys, most patents could be applicable to the fuel cladding materials for SFR and, especially, some useful patents as the cladding were registered by the Russian and the Korean

  8. Patent Analysis of Ferritic/Martensitic Steels for the Fuel Cladding in Sodium-cooled Fast Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Baek, Jong Hyuk; Kim, Sung Ho; Kim, Tae Kyu; Kim, Woo Gon; Jang, Jin Sung; Kim, Dae Whan; Han, Chang Hee; Lee, Chan Bock

    2007-09-15

    The Korean, Japanese, U.S. and European patents related to the ferritic/martensitic steels were systematically surveyed to evaluate their patent status, which would be applicable to the fuel cladding materials for the Sodium-cooled Fast Reactor (SFR). From the surveys, totally 38 patents were finally selected for the quantitative and qualitative analysis. Among them, 28 patents (74%) were processed by Japanese companies and Sumitomo Metal industries Ltd. was top-ranked in the number (9) of priority patents. On the basis of these surveys, most patents could be applicable to the fuel cladding materials for SFR and, especially, some useful patents as the cladding were registered by the Russian and the Korean.

  9. Super ODS steels R and D for fuel cladding of next generation nuclear systems. 4) Mechanical properties at elevated temperatures

    International Nuclear Information System (INIS)

    Furukawa, Tomohiro; Ohtsuka, Satoshi; Inoue, Masaki; Okuda, Takanari; Abe, Fujio; Ohnuki, Somei; Fujisawa, Toshiharu; Kimura, Akihiko

    2009-01-01

    As fuel cladding material for lead bismuth-cooled fast reactors and supercritical pressurized water-cooled fast reactors, our research group has been developing highly corrosion-resistant oxide dispersion strengthened ferritic steels with superior high-temperature strength. In this study, the mechanical properties of super ODS steel candidates at elevated temperature have been evaluated. Tensile tests, creep tests and low cycle fatigue tests were carried out for a total of 21 types of super ODS steel candidates which have a basic chemical composition of Fe-16Cr-4Al-0.1Ti- 0.35Y 2 O 3 , with small variations. The testing temperatures were 700degC (for tensile, creep and low cycle fatigue tests) and 450degC (for tensile test). The major alloying parameters of the candidate materials were the compositions of Cr, Al, W and the minor elements such as Hf, Zr and Ce etc. The addition of the minor elements is considered effective in the control of the formation of the Y-Al complex oxides, which improves high-temperature strength. The addition of Al was very effective for the improvement of corrosion resistance. However, the addition also caused a reduction in high-temperature tensile strength. Among the efforts aimed at increasing high-temperature strength, such as the low-temperature hot-extrusion process, solution strengthening by W and the addition of minor elements, a remarkable improvement of strength was observed in ODS steel with a basic chemical composition of 2W-0.6Hf steel (SOC-14) or 2W-0.6Zr steel (SOC-16). The same behavior was also observed in creep tests, and the creep rupture times of SOC-14 and SOC-16 at 700degC - 100MPa were greater than 10,000 h. The strength was similar to that of no-Al ODS steels. No detrimental effect by the additional elements on low-cycle fatigue strength was observed in this study. These results showed that the addition of Hf/Zr to ODS-Al steels was effective in improving high-temperature strength. (author)

  10. High Cr ODS steels R and D for high burnup fuel cladding

    International Nuclear Information System (INIS)

    Kimura, A.; Kasada, R.; Kishimoto, H.; Iwata, N.; Cho, H.-S.; Toda, N.; Yutani, K.; Ukai, S.; Fujiwara, M.

    2007-01-01

    High-performance cladding materials is essential to realize highly efficient and high-burnup operation over 150 GWd/t of so called Generation IV nuclear energy systems, such as supercritical-water-cooled reactor (SCWR) and lead-cooled fast reactor (LFR). Oxide dispersion strengthening (ODS) ferritic/ martensitic steels, which contain 9-12%Cr, show rather high resistance to neutron irradiation embrittlement and high strength at elevated temperatures. However, their corrosion resistance is not good enough in SCW and in lead at high temperatures. High-Cr ODS steels have been developed to improve corrosion resistance. An increase in Cr content an addition resulted in a drastic improvement of corrosion resistance in SCW and in lead. On the contrary, high-Cr steels often show an enhancement of aging embrittlement as well as irradiation embrittlement. Anisotropy in tensile properties is another issue. In order to overwhelm these issues, surveillance tests of the material performance have been performed for high Cr-ODS steels produced by new processing technologies. It is demonstrated that the dispersion of nono-sized oxide particles in high density is effective to attain high-performance and high-Cr ODS steels have a high potential as fuel cladding materials for SCWR and LFR with high efficiency and high burnup. (authors)

  11. Current status of materials development of nuclear fuel cladding tubes for light water reactors

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Zhengang, E-mail: duan_zg@imr.tohoku.ac.jp [Department of Quantum Science and Energy Engineering, Graduate School of Engineering, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Yang, Huilong [Department of Nuclear Engineering, School of Engineering, The University of Tokyo, Nakagun, Ibaraki 319-1188 (Japan); Satoh, Yuhki [Institute for Materials Research, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Murakami, Kenta; Kano, Sho; Zhao, Zishou; Shen, Jingjie [Department of Nuclear Engineering, School of Engineering, The University of Tokyo, Nakagun, Ibaraki 319-1188 (Japan); Abe, Hiroaki, E-mail: abe.hiroaki@n.t.u-tokyo.ac.jp [Department of Nuclear Engineering, School of Engineering, The University of Tokyo, Nakagun, Ibaraki 319-1188 (Japan)

    2017-05-15

    Zirconium-based (Zr-based) alloys have been widely used as materials for the key components in light water reactors (LWRs), such as fuel claddings which suffer from waterside corrosion, hydrogen uptakes and strength loss at elevated temperature, especially during accident scenarios like the lost-of-coolant accident (LOCA). For the purpose of providing a safer, nuclear leakage resistant and economically viable LWRs, three general approaches have been proposed so far to develop the accident tolerant fuel (ATF) claddings: optimization of metallurgical composition and processing of Zr-based alloys, coatings on existing Zr-based alloys and replacement of current Zr-based alloys. In this manuscript, an attempt has been made to systematically present the historic development of Zr-based cladding, including the impacts of alloying elements on the material properties. Subsequently, the research investigations on coating layer on the surface of Zr-based claddings, mainly referring coating materials and fabrication methods, have been broadly reviewed. The last section of this review provides the introduction to alternative materials (Non-Zr) to Zr-based alloys for LWRs, such as advanced steels, Mo-based, and SiC-based materials.

  12. FUNDAMENTAL MECHANISMS OF CORROSION OF ADVANCED LIGHT WATER REACTOR FUEL CLADDING ALLOYS AT HIGH BURNUP

    International Nuclear Information System (INIS)

    Lott, Randy G.

    2003-01-01

    OAK (B204) The corrosion behavior of nuclear fuel cladding is a key factor limiting the performance of nuclear fuel elements, improved cladding alloys, which resist corrosion and radiation damage, will facilitate higher burnup core designs. The objective of this project is to understand the mechanisms by which alloy composition, heat treatment and microstructure affect corrosion rate. This knowledge can be used to predict the behavior of existing alloys outside the current experience base (for example, at high burn-up) and predict the effects of changes in operation conditions on zirconium alloy behavior. Zirconium alloys corrode by the formation f a highly adherent protective oxide layer. The working hypothesis of this project is that alloy composition, microstructure and heat treatment affect corrosion rates through their effect on the protective oxide structure and ion transport properties. The experimental task in this project is to identify these differences and understand how they affect corrosion behavior. To do this, several microstructural examination techniques including transmission electron microscope (TEM), electrochemical impedance spectroscopy (EIS) and a selection of fluorescence and diffraction techniques using synchrotron radiation at the Advanced Photon Source (APS) were employed

  13. The maximum allowable temperature of zircaloy-2 fuel cladding under dry storage conditions

    International Nuclear Information System (INIS)

    Mayuzumi, M.; Yoshiki, S.; Yasuda, T.; Nakatsuka, M.

    1990-09-01

    Japan plans to reprocess and reutilise the spent nuclear fuel from nuclear power generation. However, the temporary storage of spent fuel is assuming increasing importance as a means of ensuring flexibility in the nuclear fuel cycle. Our investigations of various methods of storage have shown that casks are the most suitable means of storing small quantities of spent fuel of around 500 t, and research and development are in progress to establish dry storage technology for such casks. The soundness of fuel cladding is being investigated. The most important factor in evaluating soundness in storage under inert gas as currently envisaged is creep deformation and rupture, and a number of investigations have been made of the creep behaviour of cladding. The present study was conducted on the basis of existing in-house results in collaboration with Nippon Kakunenryo Kaihatsu KK (Nippon Nuclear Fuel Department Co.), which has hot lab facilities. Tests were run on the creep deformation behaviour of irradiated cladding, and the maximum allowable temperature during dry storage was investigated. (author)

  14. Thermal creep properties of alloy D9 stainless steel and 316 stainless steel fuel clad tubes

    International Nuclear Information System (INIS)

    Latha, S.; Mathew, M.D.; Parameswaran, P.; Bhanu Sankara Rao, K.; Mannan, S.L.

    2008-01-01

    Uniaxial thermal creep rupture properties of 20% cold worked alloy D9 stainless steel (alloy D9 SS) fuel clad tubes for fast breeder reactors have been evaluated at 973 K in the stress range 125-250 MPa. The rupture lives were in the range 90-8100 h. The results are compared with the properties of 20% cold worked type 316 stainless steel (316 SS) clad tubes. Alloy D9 SS were found to have higher creep rupture strengths, lower creep rates and lower rupture ductility than 316 SS. The deformation and damage processes were related through Monkman Grant relationship and modified Monkman Grant relationship. The creep damage tolerance parameter indicates that creep fracture takes place by intergranular cavitation. Precipitation of titanium carbides in the matrix and chromium carbides on the grain boundaries, dislocation substructure and twins were observed in transmission electron microscopic investigations of alloy D9 SS. The improvement in strength is attributed to the precipitation of fine titanium carbides in the matrix which prevents the recovery and recrystallisation of the cold worked microstructure

  15. Stress analysis of fuel claddings with axial fins including creep effects

    International Nuclear Information System (INIS)

    Krieg, R.

    1977-01-01

    For LMFBR fuel claddings with axial fins the stress and strain fields are calculated which may be caused by internal pressure, differential thermal expansion and irradiation induced differential swelling. To provide an appropriate description of the cladding material it is assumed that the total strain is the sum of a linear elastic and a creep term, where the latter one includes the thermal as well as the irradiation induced creep. First the linear elastic problem is treated by a semi-analytical method leading to a bipotential equation for Airys' stress function. Solving this equation analytically means that the field equations valid within the cladding are satisfied exactly. By applying a combined point matching- least square-method the boundary conditions could be satisfied approximately such that in most cases the remaining error is within the uncertainty range of the loading conditions. Then the nonlinear problem which includes creep is approximated by a sequence of linear elastic solutions with time as parameter. The accumulated creep strain is treated here as an imposed strain field. To study the influence of different effects such as fin shape, temperature region, irradiation induced creep and swelling or internal pressure, a total of eleven cases with various parameter variations are investigated. The results are presented graphically in the following forms: stress and strain distributions over the cladding cross section for end of life conditions and boundary stresses and strains versus time. (Auth.)

  16. Oxidation behavior of fuel cladding tube in spent fuel pool accident condition

    International Nuclear Information System (INIS)

    Nemoto, Yoshiyuki; Kaji, Yoshiyuki; Ogawa, Chihiro; Nakashima, Kazuo; Tojo, Masayuki

    2017-01-01

    In spent fuel pool (SFP) under loss-of-cooling or loss-of-coolant severe accident condition, the spent fuels will be exposed to air and heated by their own residual decay heat. Integrity of fuel cladding is crucial for SFP safety therefore study on cladding oxidation in air at high temperature is important. Zircaloy-2 (Zry2) and zircaloy-4 (Zry4) were applied for thermogravimetric analyses (TGA) in different temperatures in air at different flow rates to evaluate oxidation behavior. Oxidation rate increased with testing temperature. In a range of flow rate of air which is predictable in spent fuel lack during a hypothetical SFP accident, influence of flow rate was not clearly observed below 950degC for the Zry2, or below 1050degC for Zry4. In higher temperature, oxidation rate was higher in high rate condition, and this trend was seen clearer when temperature increased. Oxide layers were carefully examined after the TGA analyses and compared with mass gain data to investigate detail of oxidation process in air. It was revealed that the mass gain data in pre-breakaway regime reflects growth of dense oxide film on specimen surface, meanwhile in post-breakaway regime, it reflects growth of porous oxide layer beneath fracture of the dense oxide film. (author)

  17. Current status of materials development of nuclear fuel cladding tubes for light water reactors

    International Nuclear Information System (INIS)

    Duan, Zhengang; Yang, Huilong; Satoh, Yuhki; Murakami, Kenta; Kano, Sho; Zhao, Zishou; Shen, Jingjie; Abe, Hiroaki

    2017-01-01

    Zirconium-based (Zr-based) alloys have been widely used as materials for the key components in light water reactors (LWRs), such as fuel claddings which suffer from waterside corrosion, hydrogen uptakes and strength loss at elevated temperature, especially during accident scenarios like the lost-of-coolant accident (LOCA). For the purpose of providing a safer, nuclear leakage resistant and economically viable LWRs, three general approaches have been proposed so far to develop the accident tolerant fuel (ATF) claddings: optimization of metallurgical composition and processing of Zr-based alloys, coatings on existing Zr-based alloys and replacement of current Zr-based alloys. In this manuscript, an attempt has been made to systematically present the historic development of Zr-based cladding, including the impacts of alloying elements on the material properties. Subsequently, the research investigations on coating layer on the surface of Zr-based claddings, mainly referring coating materials and fabrication methods, have been broadly reviewed. The last section of this review provides the introduction to alternative materials (Non-Zr) to Zr-based alloys for LWRs, such as advanced steels, Mo-based, and SiC-based materials.

  18. Characterization of Zircaloy-4 tubing procured for fuel cladding research programs

    International Nuclear Information System (INIS)

    Chapman, R.H.

    1976-01-01

    A quantity of Zircaloy-4 tubing [10.92 mm outside diameter by 0.635 mm wall thickness] was purchased specifically for use in a number of related fuel cladding research programs sponsored by the Division of Reactor Safety Research, Nuclear Regulatory Commission (NRC/RSR). Identical tubing (produced simultaneously and from the same ingot) was purchased concurrently by the Electric Power Research Institute (EPRI) for use in similar research programs sponsored by that organization. In this way, source variability and prior fabrication history were eliminated as parameters, thus permitting direct comparison (as far as as-received material properties are concerned) of experimental results from the different programs. The tubing is representative of current reactor technology. Consecutive serial numbers assigned to each tube identify the sequence of the individual tubes through the final tube wall reduction operation. The report presented documents the procurement activities, provides a convenient reference source of manufacturer's data and tubing distribution to the various users, and presents some preliminary characterization data. The latter have been obtained routinely in various research programs and are not complete. Although the number of analyses, tests, and/or examinations performed to date are insufficient to draw statistically valid conclusions with regard to material characterization, the data are expected to be representative of the as-received tubing. It is anticipated that additional characterizations will be performed and reported routinely by the various research programs that use the tubing

  19. Off-gas monitor system for the detection of a failed fuel cladding tube

    International Nuclear Information System (INIS)

    Yuasa, Yoshiyuki; Oosaki, Masahiko; Naito, Makoto.

    1984-01-01

    Purpose: To rapidly and reliably detect failures in a fuel cladding tube thereby prevent accidents. Method: Off-gases discharged from an air extractor are mixed at a certain ratio with cleaning water and gamma spectra for short-life radioactive rare gases and for long-life radioactive rare gases in the off-gases are measured by gamma ray detectors. The spectra are analyzed by a Pulse-height analyzer so as to quantitatively determine the nuclides of radioactive rare gases thereby calculate the release rate on each of the nuclides. Further, a central data-processing unit calculates the composition ratio of each release models about recoil, diffusion and equilibrium in the whole radioactive rare gases based on the release rate. As the total value of the release rate is rapidly increased, recoil part will be decreased suddenly and the diffusion and equilibrium parts will be increased by so much, upon failure of a fuel can; thus the failure can rapidly be detected. (Sekiya, K.)

  20. The steady-state creep of zircaloy-4 fuel cladding from 940 to 1873 K

    International Nuclear Information System (INIS)

    Rosinger, H.E.; Bera, P.C.; Clendening, W.R.

    1978-11-01

    The steady-state creep rates of as-received Zircaloy-4 fuel cladding have been determined in the α-Zr phase (940 -6 and 10 -3 s -1 were determined under constant uniaxial load conditions. Assuming that creep rates can be described by a power law - Arrhenius equation, the creep rate for α-phase Zircaloy-4 is given by: epsilon sub(ss) = 2000σ sup(5.32) exp (-284 600/kT) s -1 and for the β-phase Zircaloy-4 is given by: epsilon sub(ss) = 8.1σ sup(3.79) exp (-142 300/kT) s -1 . For both the α-Zr and β-Zr phases, the activation energies for creep are in agreement with those for self-diffusion of zirconium and the rate-controlling mechanism is attributed to dislocation climb. Because of the scarcity of data, it is not possible to determine the rate equation unambiguously, nor to identify the mechanism for creep in the mixed α + β phase region. (author)

  1. Obtention of the constitutive equation of hydride blisters in fuel cladding from nanoindentation tests

    Energy Technology Data Exchange (ETDEWEB)

    Martin Rengel, M.A., E-mail: mamartin.rengel@upm.es [E.T.S.I. Caminos, Canales y Puertos, Universidad Politécnica de Madrid, c/ Profesor Aranguren, 3, E-28040 Madrid (Spain); Gomez, F.J., E-mail: javier.gomez@amsimulation.com [Advanced Material Simulation, AMS, Bilbao (Spain); Rico, A., E-mail: alvaro.rico@urjc.es [DIMME, Universidad Rey Juan Carlos, Mostoles (Spain); Ruiz-Hervias, J. [E.T.S.I. Caminos, Canales y Puertos, Universidad Politécnica de Madrid, c/ Profesor Aranguren, 3, E-28040 Madrid (Spain); Rodriguez, J. [DIMME, Universidad Rey Juan Carlos, Mostoles (Spain)

    2017-04-15

    It is well known that the presence of hydrides in nuclear fuel cladding may reduce its mechanical and fracture properties. This situation may be worsened as a consequence of the formation of hydride blisters. These blisters are zones with an extremely high hydrogen concentration and they are usually associated to the oxide spalling which may occur at the outer surface of the cladding. In this work, a method which allows us to reproduce, in a reliable way, hydride blisters in the laboratory has been devised. Depth-sensing indentation tests with a spherical indenter were conducted on a hydride blister produced in the laboratory with the aim of measuring its mechanical behaviour. The plastic stress-strain curve of the hydride blister was calculated for first time by combining depth-sensing indentation tests results with an iterative algorithm using finite element simulations. The algorithm employed reduces, in each iteration, the differences between the numerical and the experimental results by modifying the stress-strain curve. In this way, an almost perfect adjustment of the experimental data was achieved after several iterations. The calculation of the constitutive equation of the blister from nanoindentation tests, may involve a lack of uniqueness. To evaluate it, a method based on the optimization of parameters of analytical equations has been proposed in this paper. An estimation of the error which involves this method is also provided.

  2. Behavior and failure of fresh, hydrided and irradiated Zircaloy-4 fuel claddings under RIA conditions

    International Nuclear Information System (INIS)

    Le Saux, M.

    2008-01-01

    The purpose of this study is to characterize and simulate the mechanical behaviour and failure of fresh, hydrided and irradiated (in pressurized water reactors) cold-worked stress relieved Zircaloy-4 fuel claddings under reactivity initiated accident conditions. A model is proposed to describe the anisotropic viscoplastic mechanical behavior of the material as a function of temperature (from 20 C up to 1100 C), strain rate (from 3.10 -4 s -1 up to 5 s -1 ), fluence (from 0 up to 1026 n.m -2 ) and irradiation conditions. Axial tensile, hoop tensile, expansion due to compression and hoop plane strain tensile tests are performed at 25 C, 350 C and 480 C in order to analyse the anisotropic plastic and failure properties of the non-irradiated material hydrided up to 1200 ppm. Material strength and strain hardening depend on temperature and hydrogen in solid solution and precipitated hydride contents. Plastic anisotropy is not significantly modified by hydrogen. The material is embrittled by hydrides at room temperature. The plastic strain that leads to hydride cracking decreases with increasing hydrogen content. The material ductility, which increases with increasing temperature, is not deteriorated by hydrogen at 350 C and 480 C. Macroscopic fracture modes and damage mechanisms depend on specimen geometry, temperature and hydrogen content. A Gurson type model is finally proposed to describe both the anisotropic viscoplastic behavior and the ductile fracture of the material as a function of temperature and hydrogen content. (author) [fr

  3. SiC-CMC-Zircaloy-4 Nuclear Fuel Cladding Performance during 4-Point Tubular Bend Testing

    Energy Technology Data Exchange (ETDEWEB)

    IJ van Rooyen; WR Lloyd; TL Trowbridge; SR Novascone; KM Wendt; SM Bragg-Sitton

    2013-09-01

    The U.S. Department of Energy Office of Nuclear Energy (DOE NE) established the Light Water Reactor Sustainability (LWRS) program to develop technologies and other solutions to improve the reliability, sustain the safety, and extend the life of current reactors. The Advanced LWR Nuclear Fuel Development Pathway in the LWRS program encompasses strategic research focused on improving reactor core economics and safety margins through the development of an advanced fuel cladding system. Recent investigations of potential options for “accident tolerant” nuclear fuel systems point to the potential benefits of silicon carbide (SiC) cladding. One of the proposed SiC-based fuel cladding designs being investigated incorporates a SiC ceramic matrix composite (CMC) as a structural material supplementing an internal Zircaloy-4 (Zr-4) liner tube, referred to as the hybrid clad design. Characterization of the advanced cladding designs will include a number of out-of-pile (nonnuclear) tests, followed by in-pile irradiation testing of the most promising designs. One of the out-of-pile characterization tests provides measurement of the mechanical properties of the cladding tube using four point bend testing. Although the material properties of the different subsystems (materials) will be determined separately, in this paper we present results of 4-point bending tests performed on fully assembled hybrid cladding tube mock-ups, an assembled Zr-4 cladding tube mock-up as a standard and initial testing results on bare SiC-CMC sleeves to assist in defining design parameters. The hybrid mock-up samples incorporated SiC-CMC sleeves fabricated with 7 polymer impregnation and pyrolysis (PIP) cycles. To provide comparative information; both 1- and 2-ply braided SiC-CMC sleeves were used in this development study. Preliminary stress simulations were performed using the BISON nuclear fuel performance code to show the stress distribution differences for varying lengths between loading points

  4. The fuel-cladding interfacial friction coefficient in water-cooled reactor fuel rods

    International Nuclear Information System (INIS)

    Smith, E.

    1979-01-01

    A central problem in the development of cladding failure criteria and of effective operational, design or material remedies is to know whether the cladding stress is enhanced significantly near cladding ridges, pellet chips or fuel pellet cracks; the latter may also be coincident with cladding ridges at pellet-pellet interfaces. As regards the fuel pellet crack source of cladding stress concentration, the magnitude of the uranium dioxide-Zircaloy interfacial friction coefficient μ governs the magnitude and distribution of the enhanced cladding stress. Considerable discussion, particularly at a Post-Conference Seminar associated with the SMIRT 4 Conference, has focussed on the value of μ, the author taking the view that it is unlikely to be large (< 0.5). The reasoning behind this view is as follows. A fuel pellet should fracture during a power ramp when the tensile hoop stress within the pellet exceeds the fuel's fracture stress. Since the preferred position for a fuel pellet crack to form is at the fuel-cladding interface midway between existing fuel cracks, where the interfacial shear stress changes sign, the pellet segment size after a power ramp provides a limit to the magnitude of the interfacial shear stresses and consequently to the value of μ. With this argument as a basis, the author's early work used the Gittus fuel rod model, in which there is a symmetric distribution of fuel pellet cracks and symmetric interfacial slippage, to show that μ < 0.5 if it is assumed that the average hoop stress within the cladding attains yield levels. It was therefore suggested that a high interfacial friction coefficient is unlikely to be operative during a power ramp; this result was used to support the view that interfacial friction effects do not play a dominant role in stress corrosion crack formation within the cladding. (orig.)

  5. Effect of thermal transients on the hardness of Zircaloy fuel cladding

    International Nuclear Information System (INIS)

    Hobson, D.O.

    1976-06-01

    This study is directed toward the determination of the effects of annealing cycles with rapid heating rates, short hold times at specific temperatures, and rapid cool-down rates on the hardness of Zircaloy fuel cladding. These rapid annealing cycles are designed to provide preliminary annealing behavior data on Loss-of-Fluid-Test Reactor cladding samples. Information has been obtained on (1) the time dependence of the hardness as a function of annealing temperature, and (2) a correlation of single- and multitransient annealing relationships. Both single- and triple-cycle transients were used; four hold times at each of five maximum temperatures comprised the data set (each portion of the triple-cycle experiments had isothermal hold times equal to one-third of their analogous single-cycle times). It was found that there was little difference in the hardness response between single- and triple-cycle transients for a given total hold time at a particular temperature. Test temperatures range from 1000 to 1400 0 F (538 to 760 0 C) and hold times from 5 to 135 sec. The 1100 0 F (593 0 C) level was found to be the transition level for hardness changes, with shorter times (5 and 15 sec) effecting little or no hardness decrease and the longer times (45 and 135 sec) producing partially and fully annealed material, respectively. Temperatures equal to or greater than 1300 0 F (704 0 C) resulted in fully annealed material for all hold times. The 1000 0 F (538 0 C) tests produced no measurable softening

  6. A comparative study on the fretting wear properties of advanced zirconium fuel cladding materials

    International Nuclear Information System (INIS)

    Lee, Young Ho; Kim, Hyung Kyu; Park, Jeong Yong; Kim, Jun Hwan

    2005-06-01

    Fretting wear tests were carried out in room and high temperature water in order to evaluate the wear properties of new zirconium nuclear fuel claddings (K2∼K6) and the commercial claddings (M5, zirlo and zircaloy-4). The objective is to compare the wear resistance of K2∼K6 claddings with that of the commercial ones at the same test condition. After the wear tests, the average wear volume and the maximum wear depth were evaluated and compared at each test condition. As a result, it is difficult to select the most wear-resistant cladding between the K2∼K6 claddings and the commercial ones. This is because the average wear volume and maximum depth of each cladding included between the scattering range of measured results. However, wear resistance of the tested claddings based on the average wear volume and maximum wear depth could be summarized as follows: K5 > zircaloy-4 > (K2,K3) > (K4,M5) > K6 > zirlo at room temperature, zircaloy-4 > K5 > (K3,K4,zirlo) > (K2,K6) > M5 at high temperature and pressure. Therefore, it is concluded that K5 cladding among the tested new zirconium alloys has relatively higher wear-resistance in room and high temperature condition. In order to examine the wear mechanism, it is necessary to systematically study with the consideration of the alloying element effect and test environment. In this report, the wear test procedure and the wear evaluation method are described in detail

  7. Boiling performance and material robustness of modified surfaces with multi scale structures for fuel cladding development

    Energy Technology Data Exchange (ETDEWEB)

    Jo, HangJin; Kim, Jin Man [Division of Advanced Nuclear Engineering, POSTECH, Pohang 790-784, Gyungbuk (Korea, Republic of); Yeom, Hwasung [Department of Nuclear Engineering and Engineering physics, UW-Madison, Madison, WI 53706, Unities States (United States); Lee, Gi Cheol [Department of Mechanical Engineering, POSTECH, Pohang 790-784, Gyungbuk (Korea, Republic of); Park, Hyun Sun, E-mail: hejsunny@postech.ac.kr [Division of Advanced Nuclear Engineering, POSTECH, Pohang 790-784, Gyungbuk (Korea, Republic of); Kiyofumi, Moriyama; Kim, Moo Hwan [Division of Advanced Nuclear Engineering, POSTECH, Pohang 790-784, Gyungbuk (Korea, Republic of); Sridharan, Kumar; Corradini, Michael [Department of Nuclear Engineering and Engineering physics, UW-Madison, Madison, WI 53706, Unities States (United States)

    2015-09-15

    Highlights: • We improved boiling performance and material robustness using surface modification. • We combined micro/millimeter post structures and nanoparticles with heat treatments. • Compactly-arranged micrometer posts had improved boiling performance. • CHF increased significantly due to capillary pumping by the deposited NP layers. • Sintering procedure increased mechanical strength of the NP coating surface. - Abstract: By regulating the geometrical characteristics of multi-scale structures and by adopting heat treatment for protective layer of nanoparticles (NPs), we improved critical heat flux (CHF), boiling heat transfer (BHT), and mechanical robustness of the modified surface. We fabricated 1-mm and 100-μm post structures and deposited NPs on the structured surface as a nano-scale structured layer and protective layer at the same time, then evaluated the CHF and BHT and material robustness of the modified surfaces. On the structured surfaces without NPs, the surface with compactly-arranged micrometer posts had improved CHF (118%) and BHT (41%). On the surface with structures on which NPs had been deposited, CHF increased significantly (172%) due to capillary pumping by the deposited NP layers. The heat treatment improved robustness of coating layer in comparison to the one of before heat treatment. In particular, low-temperature sintering increased the hardness of the modified surface by 140%. The increased mechanical strength of the NP coating is attributed to reduction in coating porosity during sintering. The combination of micrometer posts structures and sintered NP coating can increase the safety, efficiency and reliability of advanced nuclear fuel cladding.

  8. Boiling performance and material robustness of modified surfaces with multi scale structures for fuel cladding development

    International Nuclear Information System (INIS)

    Jo, HangJin; Kim, Jin Man; Yeom, Hwasung; Lee, Gi Cheol; Park, Hyun Sun; Kiyofumi, Moriyama; Kim, Moo Hwan; Sridharan, Kumar; Corradini, Michael

    2015-01-01

    Highlights: • We improved boiling performance and material robustness using surface modification. • We combined micro/millimeter post structures and nanoparticles with heat treatments. • Compactly-arranged micrometer posts had improved boiling performance. • CHF increased significantly due to capillary pumping by the deposited NP layers. • Sintering procedure increased mechanical strength of the NP coating surface. - Abstract: By regulating the geometrical characteristics of multi-scale structures and by adopting heat treatment for protective layer of nanoparticles (NPs), we improved critical heat flux (CHF), boiling heat transfer (BHT), and mechanical robustness of the modified surface. We fabricated 1-mm and 100-μm post structures and deposited NPs on the structured surface as a nano-scale structured layer and protective layer at the same time, then evaluated the CHF and BHT and material robustness of the modified surfaces. On the structured surfaces without NPs, the surface with compactly-arranged micrometer posts had improved CHF (118%) and BHT (41%). On the surface with structures on which NPs had been deposited, CHF increased significantly (172%) due to capillary pumping by the deposited NP layers. The heat treatment improved robustness of coating layer in comparison to the one of before heat treatment. In particular, low-temperature sintering increased the hardness of the modified surface by 140%. The increased mechanical strength of the NP coating is attributed to reduction in coating porosity during sintering. The combination of micrometer posts structures and sintered NP coating can increase the safety, efficiency and reliability of advanced nuclear fuel cladding

  9. Evaluation of steam corrosion and water quenching behavior of zirconium-silicide coated LWR fuel claddings

    Science.gov (United States)

    Yeom, Hwasung; Lockhart, Cody; Mariani, Robert; Xu, Peng; Corradini, Michael; Sridharan, Kumar

    2018-02-01

    This study investigates steam corrosion of bulk ZrSi2, pure Si, and zirconium-silicide coatings as well as water quenching behavior of ZrSi2 coatings to evaluate its feasibility as a potential accident-tolerant fuel cladding coating material in light water nuclear reactor. The ZrSi2 coating and Zr2Si-ZrSi2 coating were deposited on Zircaloy-4 flats, SiC flats, and cylindrical Zircaloy-4 rodlets using magnetron sputter deposition. Bulk ZrSi2 and pure Si samples showed weight loss after the corrosion test in pure steam at 400 °C and 10.3 MPa for 72 h. Silicon depletion on the ZrSi2 surface during the steam test was related to the surface recession observed in the silicon samples. ZrSi2 coating (∼3.9 μm) pre-oxidized in 700 °C air prevented substrate oxidation but thin porous ZrO2 formed on the coating. The only condition which achieved complete silicon immobilization in the oxide scale in aqueous environments was the formation of ZrSiO4 via ZrSi2 coating oxidation in 1400 °C air. In addition, ZrSi2 coatings were beneficial in enhancing quenching heat transfer - the minimum film boiling temperature increased by 6-8% in the three different environmental conditions tested. During repeated thermal cycles (water quenching from 700 °C to 85 °C for 20 s) performed as a part of quench tests, no spallation and cracking was observed and the coating prevented oxidation of the underlying Zircaloy-4 substrate.

  10. Dynamic strain aging of zircaloy-4 PWR fuel cladding in biaxial stress state

    International Nuclear Information System (INIS)

    Park, Ki Seong; Lee, Byong Whi

    1989-01-01

    The expanding copper mandrel test performed at three strain rates (3.2x10E-5/s,2.0x10E-6/s and 1.2x10E-7/s) over 553-873 K temperature range by varying the heating rates (8-10deg C/s,1-2deg C/s and 0.5deg C/s) in air and in vacuum (5x10E-5 torr). The yield stress peak, the strain rate sensitivity minimum and the activation volume peaks could be explained in terms of the dynamic strain aging. The activation energy for dynamic strain aging obtained from the yield stress peak temperature and strain rate was 196 KJ/mol and this value was in good agreement with the activation energy for oxygen diffusion in α-zirconium and Zircaloy-2 (207-220KJ/mol). Therefore, oxygen atoms are responsible for the dynamic strain aging which appeared between 573K and 673K. The yield stress increase due to the oxidation was obtained by comparing the yield stress in air with that in vacuum and represented by the percentage increase of yield stress (σ y a -σ y v /σ y v ). The slower the strain rate, the greater the percentage increase occurs. In order to estimate the yield stress of PWR fuel cladding material under the service environment, the yield stress in water was obtained by comparing the oxidation rate in air that in water assuming the relationship between the oxygen pick-up amount and the yield stress increase. (Author)

  11. Cold spray deposition of Ti{sub 2}AlC coatings for improved nuclear fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Maier, Benjamin R. [University of Wisconsin, Madison, WI (United States); Garcia-Diaz, Brenda L. [Savannah River National Laboratory, Aiken, SC (United States); Hauch, Benjamin [University of Wisconsin, Madison, WI (United States); Olson, Luke C.; Sindelar, Robert L. [Savannah River National Laboratory, Aiken, SC (United States); Sridharan, Kumar, E-mail: kumar@engr.wisc.edu [University of Wisconsin, Madison, WI (United States)

    2015-11-15

    Coatings of Ti{sub 2}AlC MAX phase compound have been successfully deposited on Zircaloy-4 (Zry-4) test flats, with the goal of enhancing the accident tolerance of LWR fuel cladding. Low temperature powder spray process, also known as cold spray, has been used to deposit coatings ∼90 μm in thickness using powder particles of <20 μm. X-ray diffraction analysis showed the phase-content of the deposited coatings to be identical to the powders indicating that no phase transformation or oxidation had occurred during the coating deposition process. The coating exhibited a high hardness of about 800 H{sub K} and pin-on-disk wear tests using abrasive ruby ball counter-surface showed the wear resistance of the coating to be significantly superior to the Zry-4 substrate. Scratch tests revealed the coatings to be well-adhered to the Zry-4 substrate. Such mechanical integrity is required for claddings from the standpoint of fretting wear resistance and resisting wear handling and insertion. Air oxidation tests at 700 °C and simulated LOCA tests at 1005 °C in steam environment showed the coatings to be significantly more oxidation resistant compared to Zry-4 suggesting that such coatings can potentially provide accident tolerance to nuclear fuel cladding. - Highlights: • Deposited Ti{sub 2}AlC coatings on Zircaloy-4 substrates with a low pressure powder spray process, also known as cold spray. • Coatings have high hardness and wear resistance for both damage resistance during rod insertion and fretting wear resistance. • The oxidation resistance of Ti{sub 2}AlC coated Zircaloy-4 at 700 °C and 1005 °C was significantly superior to uncoated Zircaloy. • Cold spray of Ti{sub 2}AlC demonstrates considerable promise as a near-term solution for accident tolerant Zr-alloy fuel claddings.

  12. LWR fuel cladding deformation in a LOCA and its interaction with the emergency core cooling

    International Nuclear Information System (INIS)

    Erbacher, F.J.

    1982-01-01

    The paper summarizes research results of out-of-pile burst tests, in-pile bursts tests, out-of-pile flooding tests and modeling work on fuel behavior in a LOCA performed at KfK: The dominant phenomena of the cladding deformation and failure have been clarified by experiments and can be modeled by computer codes. The burst and flooding tests performed up to now suggest that the coolability of the core under LOCA conditions can be maintained. (orig.) [de

  13. Theory of the frictional interaction between nuclear fuel cladding and a cracked ceramic pellet

    International Nuclear Information System (INIS)

    Gittus, J.H.

    1976-02-01

    A summary is presented of the outcome of theoretical work detailed in five publications, reproduced as appendices, which is concerned with the tendency for the cladding tube of nuclear fuel elements to fracture as the result of power cycling or after a sudden upward power excursion. The relationship is shown between the properties of the clad, those of UO 2 pellets, and the tendency of the clad to fail during upward power excursions. The role of interfacial friction is explored and the benefit to be obtained by reducing it is calculated for cases where a soft metal interlayer is present. It is shown that the experimentally-confirmed magnitude of the strain-concentration in the arc of cladding over a radial pellet crack could not arise if there were interfaceons present. Accordingly, these defects, although they do occur in some sliding situations, are thought to be absent from the pellet clas interface in fuel pins. (author)

  14. Effect of ultra high temperature ceramics as fuel cladding materials on the nuclear reactor performance by SERPENT Monte Carlo code

    Energy Technology Data Exchange (ETDEWEB)

    Korkut, Turgay; Kara, Ayhan; Korkut, Hatun [Sinop Univ. (Turkey). Dept. of Nuclear Energy Engineering

    2016-12-15

    Ultra High Temperature Ceramics (UHTCs) have low density and high melting point. So they are useful materials in the nuclear industry especially reactor core design. Three UHTCs (silicon carbide, vanadium carbide, and zirconium carbide) were evaluated as the nuclear fuel cladding materials. The SERPENT Monte Carlo code was used to model CANDU, PWR, and VVER type reactor core and to calculate burnup parameters. Some changes were observed at the same burnup and neutronic parameters (keff, neutron flux, absorption rate, and fission rate, depletion of U-238, U-238, Xe-135, Sm-149) with the use of these UHTCs. Results were compared to conventional cladding material zircalloy.

  15. Ferritic Alloys as Accident Tolerant Fuel Cladding Material for Light Water Reactors

    International Nuclear Information System (INIS)

    Rebak, Raul B.

    2014-01-01

    The objective of the GE project is to demonstrate that advanced steels such as iron-chromium-aluminum (FeCrAl) alloys could be used as accident tolerant fuel cladding material in commercial light water reactors. The GE project does not include fuel development. Current findings support the concept that a FeCrAl alloy could be used for the cladding of commercial nuclear fuel. The use of this alloy will benefit the public since it is going to make the power generating light water reactors safer. In the Phase 1A of this cost shared project, GE (GRC + GNF) teamed with the University of Michigan, Los Alamos National Laboratory, Brookhaven National Laboratory, Idaho National Laboratory, and Oak Ridge National Laboratory to study the environmental and mechanical behavior of more than eight candidate cladding materials both under normal operation conditions of commercial nuclear reactors and under accident conditions in superheated steam (loss of coolant condition). The main findings are as follows: (1) Under normal operation conditions the candidate alloys (e.g. APMT, Alloy 33) showed excellent resistance to general corrosion, shadow corrosion and to environmentally assisted cracking. APMT also showed resistance to proton irradiation up to 5 dpa. (2) Under accident conditions the selected candidate materials showed several orders of magnitude improvement in the reaction with superheated steam as compared with the current zirconium based alloys. (3) Tube fabrication feasibility studies of FeCrAl alloys are underway. The aim is to obtain a wall thickness that is below 400 µm. (4) A strategy is outlined for the regulatory path approval and for the insertion of a lead fuel assembly in a commercial reactor by 2022. (5) The GE team worked closely with INL to have four rodlets tested in the ATR. GE provided the raw stock for the alloys, the fuel for the rodlets and the cost for fabrication/welding of the rodlets. INL fabricated the rodlets and the caps and welded them to

  16. Ferritic Alloys as Accident Tolerant Fuel Cladding Material for Light Water Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Rebak, Raul B. [General Electric Global Research, Schnectady, NY (United States)

    2014-09-30

    The objective of the GE project is to demonstrate that advanced steels such as iron-chromium-aluminum (FeCrAl) alloys could be used as accident tolerant fuel cladding material in commercial light water reactors. The GE project does not include fuel development. Current findings support the concept that a FeCrAl alloy could be used for the cladding of commercial nuclear fuel. The use of this alloy will benefit the public since it is going to make the power generating light water reactors safer. In the Phase 1A of this cost shared project, GE (GRC + GNF) teamed with the University of Michigan, Los Alamos National Laboratory, Brookhaven National Laboratory, Idaho National Laboratory, and Oak Ridge National Laboratory to study the environmental and mechanical behavior of more than eight candidate cladding materials both under normal operation conditions of commercial nuclear reactors and under accident conditions in superheated steam (loss of coolant condition). The main findings are as follows: (1) Under normal operation conditions the candidate alloys (e.g. APMT, Alloy 33) showed excellent resistance to general corrosion, shadow corrosion and to environmentally assisted cracking. APMT also showed resistance to proton irradiation up to 5 dpa. (2) Under accident conditions the selected candidate materials showed several orders of magnitude improvement in the reaction with superheated steam as compared with the current zirconium based alloys. (3) Tube fabrication feasibility studies of FeCrAl alloys are underway. The aim is to obtain a wall thickness that is below 400 µm. (4) A strategy is outlined for the regulatory path approval and for the insertion of a lead fuel assembly in a commercial reactor by 2022. (5) The GE team worked closely with INL to have four rodlets tested in the ATR. GE provided the raw stock for the alloys, the fuel for the rodlets and the cost for fabrication/welding of the rodlets. INL fabricated the rodlets and the caps and welded them to

  17. Development of ODS FeCrAl alloys for accident-tolerant fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Dryepondt, Sebastien N. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hoelzer, David T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Pint, Bruce A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Unocic, Kinga A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-09-18

    FeCrAl alloys are prime candidates for accident-tolerant fuel cladding due to their excellent oxidation resistance up to 1400 C and good mechanical properties at intermediate temperature. Former commercial oxide dispersion strengthened (ODS) FeCrAl alloys such as PM2000 exhibit significantly better tensile strength than wrought FeCrAl alloys, which would alloy for the fabrication of a very thin (~250 m) ODS FeCrAl cladding and limit the neutronic penalty from the replacement of Zr-based alloys by Fe-based alloys. Several Fe-12-Cr-5Al ODS alloys where therefore fabricated by ball milling FeCrAl powders with Y2O3 and additional oxides such as TiO2 or ZrO2. The new Fe-12Cr-5Al ODS alloys showed excellent tensile strength up to 800 C but limited ductility. Good oxidation resistance in steam at 1200 and 1400 C was observed except for one ODS FeCrAl alloy containing Ti. Rolling trials were conducted at 300, 600 C and 800 C to simulate the fabrication of thin tube cladding and a plate thickness of ~0.6mm was reached before the formation of multiple edge cracks. Hardness measurements at different stages of the rolling process, before and after annealing for 1h at 1000 C, showed that a thinner plate thickness could likely be achieved by using a multi-step approach combining warm rolling and high temperature annealing. Finally, new Fe-10-12Cr-5.5-6Al-Z gas atomized powders have been purchased to fabricate the second generation of low-Cr ODS FeCrAl alloys. The main goals are to assess the effect of O, C, N and Zr contents on the ODS FeCrAl microstructure and mechanical properties, and to optimize the fabrication process to improve the ductility of the 2nd gen ODS FeCrAl while maintaining good mechanical strength and oxidation resistance.

  18. Oxidation behavior of austenitic stainless steels as fuel cladding candidate materials for SCWR in superheated steam

    International Nuclear Information System (INIS)

    Abe, Hiroshi; Hong, Seung Mo; Watanabe, Yutaka

    2014-01-01

    Highlights: • Effect of cold work on oxidation kinetics was clearly observed for 15Cr–20Ni SS. • The tube-shaped 15Cr–20Ni SS showed very good oxidation resistance. • The machined layer by cold drawing has a significant role to mitigate oxidation. - Abstract: Oxidation behavior of austenitic stainless steels as fuel cladding candidate materials for supercritical-water-cooled reactor (SCWR), including three types of 15Cr–20Ni stainless steels (1520 SSs), in the temperature range of 700–780 °C superheated steam have been investigated. Effect of temperature, dissolved oxygen (DO), degree of cold work (CW), and machined layer by cold drawing process on the oxidation kinetics assuming power-law kinetics are discussed. Characteristics of oxide layers and its relation to oxidation behaviors are also discussed. The effect of DO on the weight gain behavior in superheated steam at 700 °C was minor for all specimens at least up to 200 ppb DO. The tube-shaped specimens of 1520 SSs showed very good oxidation resistance at 700–780 °C. There was no clear difference in the oxidation kinetics among the three investigated types of 1520 SSs. The machined layer formed at the tube surface has a significant role to mitigate oxidation in superheated steam. A fine-grained microstructure near the surface due to recrystallization by cold drawing process is effective to form the protective Cr 2 O 3 layer. It has been suggested that since Cr diffusion in the outside surface of tubes is accelerated as a result of an increased dislocation density and/or grain refinement by cold drawing, tube specimens show very slow oxidation kinetics. Breakdown of the protective Cr 2 O 3 layer and nodule oxide formation were partly observed on the tube-shaped specimens of 15Cr–20Ni SSs. The reliability of Cr 2 O 3 layer has to be carefully examined to predict the oxidation kinetics after long-term exposure

  19. Oxidation behavior of austenitic stainless steels as fuel cladding candidate materials for SCWR in superheated steam

    Energy Technology Data Exchange (ETDEWEB)

    Abe, Hiroshi, E-mail: hiroshi.abe@qse.tohoku.ac.jp; Hong, Seung Mo; Watanabe, Yutaka

    2014-12-15

    Highlights: • Effect of cold work on oxidation kinetics was clearly observed for 15Cr–20Ni SS. • The tube-shaped 15Cr–20Ni SS showed very good oxidation resistance. • The machined layer by cold drawing has a significant role to mitigate oxidation. - Abstract: Oxidation behavior of austenitic stainless steels as fuel cladding candidate materials for supercritical-water-cooled reactor (SCWR), including three types of 15Cr–20Ni stainless steels (1520 SSs), in the temperature range of 700–780 °C superheated steam have been investigated. Effect of temperature, dissolved oxygen (DO), degree of cold work (CW), and machined layer by cold drawing process on the oxidation kinetics assuming power-law kinetics are discussed. Characteristics of oxide layers and its relation to oxidation behaviors are also discussed. The effect of DO on the weight gain behavior in superheated steam at 700 °C was minor for all specimens at least up to 200 ppb DO. The tube-shaped specimens of 1520 SSs showed very good oxidation resistance at 700–780 °C. There was no clear difference in the oxidation kinetics among the three investigated types of 1520 SSs. The machined layer formed at the tube surface has a significant role to mitigate oxidation in superheated steam. A fine-grained microstructure near the surface due to recrystallization by cold drawing process is effective to form the protective Cr{sub 2}O{sub 3} layer. It has been suggested that since Cr diffusion in the outside surface of tubes is accelerated as a result of an increased dislocation density and/or grain refinement by cold drawing, tube specimens show very slow oxidation kinetics. Breakdown of the protective Cr{sub 2}O{sub 3} layer and nodule oxide formation were partly observed on the tube-shaped specimens of 15Cr–20Ni SSs. The reliability of Cr{sub 2}O{sub 3} layer has to be carefully examined to predict the oxidation kinetics after long-term exposure.

  20. Stress-corrosion cracking properties of candidate fuel cladding alloys for the Canadian SCWR: a summary of literature data and recent test results

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, W.; Zeng, Y., E-mail: Wenyue@NRcan.gc.ca [CanmetMATERIALS, Hamilton, ON (Canada); Luo, J. [Univ. of Alberta, Edmonton, AB (Canada); Novotny, R. [JRC-European Commission, Patten (Netherlands); Li, J.; Amirkhiz, B.S., E-mail: Jian.li@nrcan.gc.ca [CanmetMATERIALS, Hamilton, ON (Canada); Guzonas, D. [Atomic Energy of Canada Limited, Chalk River, ON (Canada); Matchim, M.; Collier, J.; Yang, L., E-mail: lin.yang@nrcan.gc.ca [CanmetMATERIALS, Hamilton, ON (Canada)

    2014-07-01

    Cracking of fuel claddings is a serious concern when selecting candidate alloys for the development of a next-generation reactor. Whether the cracking is due to an environment-metal interaction such as stress-corrosion, or a pure metallurgical process such as localized plastic deformation along grain boundaries, the final impact is the same: cracking of the cladding can lead to fuel failure. In the course of a review of potential candidate alloys in preparation for further assessment under conditions relevant to the Canadian SCWR concept, relevant cracking studies reported for five short-listed alloys (namely 310S, 347H, 800H, 625 and 214) in the open literature were examined, and the key findings are provided in this paper. Discussions are also made of the recent SCC data from capsule tests and slow-strain rate tests (SSRT) in supercritical water. The data suggest that there is a threshold strain level below which SCC is not developed during SSRT tests. The practical implication of this finding is also discussed. (author)

  1. Use of the mechanical equation of states to predict the behaviour of 20 Cr-25 Ni-Nb stainless steel nuclear fuel cladding

    International Nuclear Information System (INIS)

    Gittus, J.H.

    1975-01-01

    Stress-analysis techniques such as the finite-element method demand prediction techniques capable of forecasting creep-rate as a function of the instantaneous and previous values of temperature and stress at each node. To supply this requirement, for metals that creep by dislocation-movement, a Mechanical Equation of States (MEOS) has been developed from the theory of dislocation-interactions and compared with creep data. Parameter-values for the MEOS have been determined, in the case of stainless steel, by stress-removal and stress-reversal (creep-fatigue) experiments. Both the plastic and anelastic (recoverable) components of creep-strain are predicted by the MEOS for any arbitary history of temperature and multiaxial stresses. Its predictions compare well with the actual results of stress-dip experiments. By generalizing to the multiaxial case, an algorithm is produced which solves the MEOS. Input data for stainless steel are tabulated. The predicted multiaxial strain-time behaviour is presented for a stainless steel nuclear fuel cladding tube subjected to a stress temperature history similar to that expected in service. (author)

  2. The effect of storage in damp air and damp argon on pond water contaminated CAGR fuel cladding steels

    International Nuclear Information System (INIS)

    Simpson, P.W.G.

    1986-10-01

    Retention of the mechanical integrity of fuel element assemblies during dry storage forms part of the strategy for any dry-store and is important for the ease of eventual reprocessing or disposal. This report describes a number of corrosion experiments which have been carried out on coupons of unirradiated CAGR fuel cladding steel which have been contaminated with simulated pond water. Two potential dry-store problem areas have been addressed. First is the possibility of failure of the dry-store mild steel container, allowing damp air to replace the nominally dry argon cover gas. Second is the possibility of water-logged failed fuel being inadvertently containerised giving rise to a humid argon atmosphere within the dry-store container. Specimens of niobium stabilised and titanium nitride strengthened CAGR fuel cladding steels in virgin, pre-oxidised and laboratory sensitised states have been exposed at temperatures of 150 0 C and 400 0 C, to air saturated with water at 10 0 C and to argon saturated at 25 0 C. Most specimens were contaminated with simulated pond water deposits containing chloride anion concentrations up to 10 ppm. No deleterious effects were observed either gravimetrically or metallographically after exposures between 10039 hours and 13152 hours. However, the absence of stress and radiation in these experiments means that caution should be exercised in applying the results to situations in which those conditions are present. (author)

  3. Behavior of an improved Zr fuel cladding with oxidation resistant coating under loss-of-coolant accident conditions

    Energy Technology Data Exchange (ETDEWEB)

    Park, Dong Jun, E-mail: pdj@kaeri.re.kr; Kim, Hyun Gil; Jung, Yang Il; Park, Jung Hwan; Yang, Jae Ho; Koo, Yang Hyun

    2016-12-15

    This study investigates protective coatings for improving the high temperature oxidation resistance of Zr fuel claddings for light water nuclear reactors. FeCrAl alloy and Cr layers were deposited onto Zr plates and tubes using cold spraying. For the FeCrAl/Zr system, a Mo layer was introduced between the FeCrAl coating and the Zr matrix to prevent inter-diffusion at high temperatures. Both the FeCrAl and Cr coatings improved the oxidation resistance compared to that of the uncoated Zr alloy when exposed to a steam environment at 1200 °C. The ballooning behavior and mechanical properties of the coated cladding samples were studied under simulated loss-of-coolant accident conditions. The coated samples showed higher burst temperatures, lower circumferential strain, and smaller rupture openings compared to the uncoated Zr. Although 4-point bend tests of the coated samples showed a small increase in the maximum load, ring compression tests of a sectioned sample showed increased ductility. - Highlights: • Cr and FeCrAl were coated onto Zr fuel cladding for light water nuclear reactors. • Mo layer between FeCrAl and Zr prevented inter-diffusion at high temperatures. • Coated claddings were tested under loss-of-cooling accident conditions. • Coating improved high-temperature oxidation resistance and mechanical properties.

  4. Development of a simplified fuel-cladding gap conductance model for nuclear feedback calculation in 16x16 FA

    International Nuclear Information System (INIS)

    Yoo, Jong Sung; Park, Chan Oh; Park, Yong Soo

    1995-01-01

    The accurate determination of the fuel-cladding gap conductance as functions of rod burnup and power level may be a key to the design and safety analysis of a reactor. The incorporation of a sophisticated gap conductance model into nuclear design code for computing thermal hydraulic feedback effect has not been implemented mainly because of computational inefficiency due to complicated behavior of gap conductance. To avoid the time-consuming iteration scheme, simplification of the gap conductance model is done for the current design model. The simplified model considers only the heat conductance contribution to the gap conductance. The simplification is made possible by direct consideration of the gap conductivity depending on the composition of constituent gases in the gap and the fuel-cladding gap size from computer simulation of representative power histories. The simplified gap conductance model is applied to the various fuel power histories and the predicted gap conductances are found to agree well with the results of the design model

  5. Development and Experimental Benchmark of Simulations to Predict Used Nuclear Fuel Cladding Temperatures during Drying and Transfer Operations

    Energy Technology Data Exchange (ETDEWEB)

    Greiner, Miles [Univ. of Nevada, Reno, NV (United States)

    2017-03-31

    Radial hydride formation in high-burnup used fuel cladding has the potential to radically reduce its ductility and suitability for long-term storage and eventual transport. To avoid this formation, the maximum post-reactor temperature must remain sufficiently low to limit the cladding hoop stress, and so that hydrogen from the existing circumferential hydrides will not dissolve and become available to re-precipitate into radial hydrides under the slow cooling conditions during drying, transfer and early dry-cask storage. The objective of this research is to develop and experimentallybenchmark computational fluid dynamics simulations of heat transfer in post-pool-storage drying operations, when high-burnup fuel cladding is likely to experience its highest temperature. These benchmarked tools can play a key role in evaluating dry cask storage systems for extended storage of high-burnup fuels and post-storage transportation, including fuel retrievability. The benchmarked tools will be used to aid the design of efficient drying processes, as well as estimate variations of surface temperatures as a means of inferring helium integrity inside the canister or cask. This work will be conducted effectively because the principal investigator has experience developing these types of simulations, and has constructed a test facility that can be used to benchmark them.

  6. Nanoindentation measurements of the mechanical properties of zirconium matrix and hydrides in unirradiated pre-hydrided nuclear fuel cladding

    International Nuclear Information System (INIS)

    Rico, A.; Martin-Rengel, M.A.; Ruiz-Hervias, J.; Rodriguez, J.; Gomez-Sanchez, F.J.

    2014-01-01

    It is well known that the mechanical properties of the nuclear fuel cladding may be affected by the presence of hydrides. The average mechanical properties of hydrided cladding have been extensively investigated from a macroscopic point of view. In addition, the mechanical and fracture properties of bulk hydride samples fabricated from zirconium plates have also been reported. In this paper, Young’s modulus, hardness and yield stress are measured for each phase, namely zirconium hydrides and matrix, of pre-hydrided nuclear fuel cladding. To this end, nanoindentation tests were performed on ZIRLO samples in as-received state, on a hydride blister and in samples with 150 and 1200 ppm of hydrogen homogeneously distributed along the hoop direction of the cladding. The results show that the measured mechanical properties of the zirconium hydrides and ZIRLO matrix (Young’s modulus, hardness and yield stress) are rather similar. From the experimental data, the hydride volume fraction in the cladding samples with 150 and 1200 ppm was estimated and the average mechanical properties were calculated by means of the rule of mixtures. These values were compared with those obtained from ring compression tests. Good agreement between the results obtained by both methods was found

  7. New method to calculate the mechanical properties of unirradiated fuel cladding from ring tensile tests

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Rengel, M.A. [Departamento de Ciencia de Materiales, UPM, E.T.S.I. Caminos, Canales y Puertos, Profesor Aranguren s/n, E-28040 Madrid (Spain); Consejo de Seguridad Nuclear (CSN), Justo Dorado 11, E-28040 Madrid (Spain); Gomez, F.J.; Ruiz-Hervias, J.; Caballero, L.; Valiente, A. [Departamento de Ciencia de Materiales, UPM, E.T.S.I. Caminos, Canales y Puertos, Profesor Aranguren s/n, E-28040 Madrid (Spain)

    2009-06-15

    Nuclear fuel cladding is the first barrier used to confine the fuel and the fission products produced during irradiation. Zirconium alloys are used for this purpose due to their remarkable neutron transparency, together with their good mechanical properties at operational temperatures. Consequently, it is very important to be able to characterize the mechanical response of the irradiated cladding. The mechanical behaviour of the material can be modelled as elastoplastic with different stress-strain curves depending on the direction: radial, hoop or longitudinal direction. The ring tensile test has been proposed to determine the mechanical properties of the cladding along the hoop direction. The initial test consisted of applying a force inside the tube, by means of two half cylinders. Later Arsene and Bai [1,2] modified the experimental device to avoid tube bending at the beginning of the test. The same authors proposed a numerical method to obtain the stress-strain curve in the hoop direction from the experimental load versus displacement results and a given friction coefficient between the loading pieces and the sample [3]. This method has been used by different authors [4] with slight modifications. It is based on the existence of two universal curves under small strain hypothesis: the first correlating the hoop strain and the displacement of the loading piece and the second one correlating the hoop stress and the applied load. In this work, a new method to determine the mechanical properties of the cladding from the ring tensile test results is proposed. Non-linear geometry is considered and an iterative procedure is proposed so universal curves are not needed. A stress-strain curve is determined by combining numerical calculations with experimental results in a convergent loop. The two universal curves proposed by Arsene and Bai [3] are substituted by two relationships, one between the equivalent plastic strain in the centre of the specimen ligament and the

  8. Methodology for Mechanical Property Testing on Fuel Cladding Using an Expanded Plug Wedge Test

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [ORNL; Jiang, Hao [ORNL

    2013-08-01

    To determine the tensile properties of irradiated fuel cladding in a hot cell, a simple test was developed at ORNL and is described fully in US Patent Application 20060070455, Expanded plug method for developing circumferential mechanical properties of tubular materials. This method is designed for testing fuel rod cladding ductility in a hot cell utilizing an expandable plug to stretch a small ring of irradiated cladding material. The specimen strain is determined using the measured diametrical expansion of the ring. This method removes many complexities associated with specimen preparation and testing. The advantages are the simplicity of measuring the test component assembly in the hot cell and the direct measurement of specimen strain. It was also found that cladding strength could be determined from the test results. The basic approach of this test method is to apply an axial compressive load to a cylindrical plug of polyurethane (or other materials) fitted inside a short ring of the test material to achieve radial expansion of the specimen. The diameter increase of the specimen is used to calculate the circumferential strain accrued during the test. The other two basic measurements are total applied load and amount of plug compression (extension). A simple procedure is used to convert the load circumferential strain data from the ring tests into material pseudo-stress-strain curves. However, several deficiencies exist in this expanded-plug loading ring test, which will impact accuracy of test results and introduce potential shear failure of the specimen due to inherited large axial compressive stress from the expansion plug test. First of all, the highly non-uniform stress and strain distribution resulted in the gage section of the clad. To ensure reliable testing and test repeatability, the potential for highly non-uniform stress distribution or displacement/strain deformation has to be eliminated at the gage section of the specimen. Second, significant

  9. Chemical phenomena under severe accident conditions

    International Nuclear Information System (INIS)

    Powers, D.A.

    1988-01-01

    A severe nuclear reactor accident is expected to involve a vast number of chemical processes. The chemical processes of major safety significance begin with the production of hydrogen during steam oxidation of fuel cladding. Physico-chemical changes in the fuel and the vaporization of radionuclides during reactor accidents have captured much of the attention of the safety community in recent years. Protracted chemical interactions of core debris with structural concrete mark the conclusion of dynamic events in a severe accident. An overview of the current understanding of chemical processes in severe reactor accident is provided in this paper. It is shown that most of this understanding has come from application of findings from other fields though a few areas have in the past been subject to in-depth study of a fundamental nature. Challenges in the study of severe accident chemistry are delineated

  10. Modeling Thermal and Stress Behavior of the Fuel-clad Interface in Monolithic Fuel Mini-plates

    International Nuclear Information System (INIS)

    Miller, Gregory K.; Medvedev, Pavel G.; Burkes, Douglas E.; Wachs, Daniel M.

    2010-01-01

    As part of the Global Threat Reduction Initiative, a fuel development and qualification program is in process with the objective of qualifying very high density low enriched uranium fuel that will enable the conversion of high performance research reactors with operational requirements beyond those supported with currently available low enriched uranium fuels. The high density of the fuel is achieved by replacing the fuel meat with a single monolithic low enriched uranium-molybdenum fuel foil. Doing so creates differences in the mechanical and structural characteristics of the fuel plate because of the planar interface created by the fuel foil and cladding. Furthermore, the monolithic fuel meat will dominate the structural properties of the fuel plate rather than the aluminum matrix, which is characteristic of dispersion fuel types. Understanding the integrity and behavior of the fuel-clad interface during irradiation is of great importance for qualification of the new fuel, but can be somewhat challenging to determine with a single technique. Efforts aimed at addressing this problem are underway within the fuel development and qualification program, comprised of modeling, as-fabricated plate characterization, and post-irradiation examination. An initial finite element analysis model has been developed to investigate worst-case scenarios for the basic monolithic fuel plate structure, using typical mini-plate irradiation conditions in the Advanced Test Reactor. Initial analysis shows that the stress normal to the fuel-clad interface dominates during irradiation, and that the presence of small, rounded delaminations at the interface is not of great concern. However, larger and/or fuel-clad delaminations with sharp corners can create areas of concern, as maximum principal cladding stress, strain, displacement, and peak fuel temperature are all significantly increased. Furthermore, stresses resulting from temperature gradients that cause the plate to bow or buckle in

  11. Contribution to the study of the pseudobinary Zr1Nb-Oxygen phase diagram by local oxygen measurements of Zr1Nb fuel cladding after high temperature oxidation

    Czech Academy of Sciences Publication Activity Database

    Negyesi, M.; Burda, J.; Klouček, V.; Lorinčík, Jan; Sopoušek, J.; Kabátová, J.; Novotný, L.; Linhart, S.; Chmela, T.; Siegl, J.; Vrtílková, V.

    2012-01-01

    Roč. 420, 1-3 (2012), s. 314-319 ISSN 0022-3115 Institutional research plan: CEZ:AV0Z20670512 Keywords : Zr1Nb * oxygen * fuel cladding Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.211, year: 2012

  12. The state of the art in non destructive testing of nuclear fuel cladding tubes using ultrasonic rotary systems; on line computer and statistics

    International Nuclear Information System (INIS)

    Rauscher, Rudolf

    Nondestructive evaluation of nuclear fuel cladding by ultrasonic tests is described. Ultrasonic transducers for detection of flaws and dimensions are built in a rotary system with a speed of 8000 rpm. The testing system is adapted to a configuration consisting of two microcomputers connected to each other

  13. A Prediction Study of Aluminum Alloy Oxidation of the Fuel Cladding in Jordan Research and Training Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Tahk, Y. W.; Oh, J. Y.; Lee, B. H.; Seo, C. G.; Chae, H. T.; Yim, J. S. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2010-10-15

    U{sub 3}Si{sub 2}-Al dispersion fuel with Al cladding will be used for Jordan Research and Training Reactor (JRTR). Aluminum alloy cladding experiences the oxidation layer growth on the surface during the reactor operation. The formation of oxides on the cladding affects fuel performance by increasing fuel temperature. According to the current JRTR fuel management scheme and operation strategy for 5 MW power, a fresh fuel is discharged after 900 effective full power days (EFPD) with 18 cycles of 50 days loading. For the proper prediction of the aluminum oxide thickness of fuel cladding during the long residence time, a reliable model is needed. In this work, several oxide thickness prediction models are compared with the measured data from in-pile test by RERTR program. Moreover, specific parametric studies and a preliminary prediction of the aluminum alloy oxidation using the latest model are performed for JRTR fuel

  14. Long term immersion test of aluminum alloy AA 6061 used for fuel cladding in MTR type reactors

    International Nuclear Information System (INIS)

    Linardi, Evelina M.; Rodriguez, Sebastian; Haddad, Roberto; Lanzani, Liliana

    2009-01-01

    In this work we present the results of long term immersion tests performed in the aluminum alloy AA 6061, used for fuel cladding in MTR type reactors. The tests were performed at open circuit potential in high purity water (ρ = 18.2 MΩ.cm) and in 10 -3 M NaCl solution. Two kinds of assemblies were studied: simple sheets and artificial crevices, immersed during 6, 12 and 18 months at room temperature. In both media and both assemblies, the aluminum hydroxide phases crystalline bayerite and bohemite were identified. It was found that a kind of localized attack named alkaline attack occurs around the iron-rich intermetallics. These particles were confirmed to control the corrosion of the AA 6061 alloy in an aerated medium. Immersion times for up to 18 months did not increase the oxide growth or the alkaline attack on the AA 6061 alloy. (author)

  15. Engineering chemical interactions in microbial communities.

    Science.gov (United States)

    Kenny, Douglas J; Balskus, Emily P

    2018-03-05

    Microbes living within host-associated microbial communities (microbiotas) rely on chemical communication to interact with surrounding organisms. These interactions serve many purposes, from supplying the multicellular host with nutrients to antagonizing invading pathogens, and breakdown of chemical signaling has potentially negative consequences for both the host and microbiota. Efforts to engineer microbes to take part in chemical interactions represent a promising strategy for modulating chemical signaling within these complex communities. In this review, we discuss prominent examples of chemical interactions found within host-associated microbial communities, with an emphasis on the plant-root microbiota and the intestinal microbiota of animals. We then highlight how an understanding of such interactions has guided efforts to engineer microbes to participate in chemical signaling in these habitats. We discuss engineering efforts in the context of chemical interactions that enable host colonization, promote host health, and exclude pathogens. Finally, we describe prominent challenges facing this field and propose new directions for future engineering efforts.

  16. Initial report on stress-corrosion-cracking experiments using Zircaloy-4 spent fuel cladding C-rings

    International Nuclear Information System (INIS)

    Smith, H.D.

    1988-09-01

    The Nevada Nuclear Waste Storage Investigations (NNWSI) Project is sponsoring C-ring stress corrosion cracking scoping experiments as a first step in evaluating the potential for stress corrosion cracking of spent fuel cladding in a potential tuff repository environment. The objective is to scope the approximate behavior so that more precise pressurized tube testing can be performed over an appropriate range of stress, without expanding the long-term effort needlessly. The experiment consists of stressing, by compression with a dead weight load, C-rings fabricated from spent fuel cladding exposed to an environment of Well J-13 water held at 90/degree/C. The results indicate that stress corrosion cracking occurs at the high stress levels employed in the experiments. The cladding C-rings, tested at 90% of the stress at which elastic behavior is obtained in these specimens, broke in 25 to 64 d when tested in water. This was about one third of the time required for control tests to break in air. This is apparently the first observation of stress corrosion under the test conditions of relatively low temperature, benign environment but very high stress. The 150 ksi test stress could be applied as a result of the particular specimen geometry. By comparison, the uniaxial tensile yield stress is about 100 to 120 ksi and the ultimate stress is about 150 ksi. When a general model that fits the high stress results is extrapolated to lower stress levels, it indicates that the C-rings in experiments now running at /approximately/80% of the yield strength should take 200 to 225 d to break. 21 refs., 24 figs., 5 tabs

  17. CEA studies on advanced nuclear fuel claddings for enhanced accident tolerant LWRs fuel (LOCA and beyond LOCA conditions)

    International Nuclear Information System (INIS)

    Brachet, J.C.; Lorrette, C.; Michaux, A.; Sauder, C.; Idarraga-Trujillo, I.; Le Saux, M.; Le Flem, M.; Schuster, F.; Billard, A.; Monsifrot, E.; Torres, E.; Rebillat, F.; Bischoff, J.; Ambard, A.

    2015-01-01

    This paper gives an overview of CEA studies on advanced nuclear fuel claddings for enhanced Accident Tolerant LWR Fuel in collaboration with industrial partners AREVA and EDF. Two potential solutions were investigated: chromium coated zirconium based claddings and SiC/SiC composite claddings with a metallic liner. Concerning the first solution, the optimization of chromium coatings on Zircaloy-4 substrate has been performed. Thus, it has been demonstrated that, due in particular to their slower oxidation rate, a significant additional 'grace period( can be obtained on high temperature oxidized coated claddings in comparison to the conventional uncoated ones, regarding their residual PQ (Post-Quench) ductility and their ability to survive to the final water quenching in LOCA and, to some extent, beyond LOCA conditions. Concerning the second solution, the innovative 'sandwich' SiC/SiC cladding concept is introduced. Initially designed for the next generation of nuclear reactors, it can be adapted to obtain high safety performance for LWRs in LOCA conditions. The key findings of this work highlight the low sensitivity of SiC/SiC composites under the explored steam oxidation conditions. No signification degradation of the mechanical properties of CVI-HNI SiC/SiC specimen is particularly acknowledged for relatively long duration (beyond 100 h at 1200 Celsius degrees). Despite these very positive preliminary results, significant studies and developments are still necessary to close the technology gap. Qualification for nuclear application requires substantial irradiation testing, additional characterization and the definition of design rules applicable to such a structure. The use of a SiC-based fuel cladding shows promise for the highest temperature accident conditions but remains a long term perspective

  18. Oxidation of Zircaloy Fuel Cladding in Water-Cooled Nuclear Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Macdonald, Digby; Urquidi-Macdonald, Mirna; Chen, Yingzi; Ai, Jiahe; Park, Pilyeon; Kim, Han-Sang

    2006-12-12

    Our work involved the continued development of the theory of passivity and passivity breakdown, in the form of the Point Defect Model, with emphasis on zirconium and zirconium alloys in reactor coolant environments, the measurement of critically-important parameters, and the development of a code that can be used by reactor operators to actively manage the accumulation of corrosion damage to the fuel cladding and other components in the heat transport circuits in both BWRs and PWRs. In addition, the modified boiling crevice model has been further developed to describe the accumulation of solutes in porous deposits (CRUD) on fuel under boiling (BWRs) and nucleate boiling (PWRs) conditions, in order to accurately describe the environment that is contact with the Zircaloy cladding. In the current report, we have derived expressions for the total steady-state current density and the partial anodic and cathodic current densities to establish a deterministic basis for describing Zircaloy oxidation. The models are “deterministic” because the relevant natural laws are satisfied explicitly, most importantly the conversation of mass and charge and the equivalence of mass and charge (Faraday’s law). Cathodic reactions (oxygen reduction and hydrogen evolution) are also included in the models, because there is evidence that they control the rate of the overall passive film formation process. Under open circuit conditions, the cathodic reactions, which must occur at the same rate as the zirconium oxidation reaction, are instrumental in determining the corrosion potential and hence the thickness of the barrier and outer layers of the passive film. Controlled hydrodynamic methods have been used to measure important parameters in the modified Point Defect Model (PDM), which is now being used to describe the growth and breakdown of the passive film on zirconium and on Zircaloy fuel sheathing in BWRs and PWRs coolant environments. The modified PDMs recognize the existence of a

  19. Carbon 14 distribution in irradiated BWR fuel cladding and released carbon 14 after aqueous immersion of 6.5 years

    Energy Technology Data Exchange (ETDEWEB)

    Sakuragi, T. [Radioactive Waste Management Funding and Research Center, Tsukishima 1-15-7, Chuo City, Tokyo, 104-0052 (Japan); Yamashita, Y.; Akagi, M.; Takahashi, R. [TOSHIBA Corporation, Ukishima Cho 4-1, Kawasaki Ward, Kawasaki, 210-0862 (Japan)

    2016-07-01

    Spent fuel cladding which is highly activated and strongly contaminated is expected to be disposed of in an underground repository. A typical activation product in the activated metal waste is carbon 14 ({sup 14}C), which is mainly generated by the {sup 14}N(n,p){sup 14}C reaction and produces a significant exposure dose due to the large inventory, long half-life (5730 years), rapid release rate, and the speciation and consequent migration parameters. In the preliminary Japanese safety case, the release of radionuclides from the metal matrix is regarded as the corrosion-related congruent release, and the cladding oxide layer is regarded as a source of instant release fraction (IRF). In the present work, specific activity of {sup 14}C was measured using an irradiated BWR fuel cladding (Zircaloy-2, average rod burnup of 41.6 GWd/tU) which has an external oxide film having a thickness of 25.3 μm. The {sup 14}C specific activity of the base metal was 1.49*10{sup 4} Bq/g, which in the corresponding burnup is comparable to values in the existing literature, which were obtained from various irradiated claddings. Although the specific activity in oxide was 2.8 times the base metal activity due to the additive generation by the {sup 17}O(n,α){sup 14}C reaction, the {sup 14}C abundance in oxide was less than 10% of total inventory. A static leaching test using the cladding tube was carried out in an air-tight vessel filled with a deoxygenated dilute NaOH solution (pH of 12.5) at room temperature. After 6.5 years, {sup 14}C was found in each leachate fraction of gas phase and dissolved organics and inorganics, the total of which was less than 0.01% of the {sup 14}C inventory of the immersed cladding tube. A simple calculation based on the congruent release with Zircaloy corrosion has suggested that the 96.7% of released {sup 14}C was from the external oxide layer and 3.3% was from the base Zircaloy metal. However, both the {sup 14}C abundance and the low leaching rate

  20. Volatile chemical interaction between undamaged plants

    OpenAIRE

    Glinwood, Robert

    2010-01-01

    This chapter discusses whether plant chemical communication is a mechanism by which plant genetic diversity can affect the natural enemies of herbivores. Plant genetic diversity influences natural enemies, and these insects use volatile chemical cues to locate suitable habitats. However, the importance of chemical communication for these interactions has not been considered. In this chapter, the latest research on chemical communication between undamaged plants is reviewed. ...

  1. Quantification of the distribution of hydrogen by nuclear microprobe at the Laboratory Pierre Sue in the width of zirconium alloy fuel clad of PWR reactors

    International Nuclear Information System (INIS)

    Raepsaet, C.; Bossis, Ph.; Hamon, D.; Bechade, J.L.; Brachet, J.C.

    2007-01-01

    Among the analysis techniques by ions beams, the micro ERDA (Elastic Detection Analysis) is an interesting technique which allows the quantitative distribution of the hydrogen in materials. In particular, this analysis has been used for hydride zirconium alloys, with the nuclear microprobe of the Laboratory Pierre Sue. This probe allows the characterization of radioactive materials. The technique principles are recalled and then two examples are provided to illustrate the fuel clad behavior in PWR reactors. (A.L.B.)

  2. Clad-coolant chemical interaction

    International Nuclear Information System (INIS)

    Iglesias, F.C.; Lewis, B.J.; Desgranges, C.; Toffolon, C.

    2015-01-01

    This paper provides an overview of the kinetics for zircaloy clad oxidation behaviour in steam and air during reactor accident conditions. The generation of chemical heat from metal/water reaction is considered. Low-temperature oxidation of zircaloy due to water-side corrosion is further described. (authors)

  3. Theoretical investigations of the meltoff and resolidification process of fuel claddings during accidents in liquid metal cooled fast breeder reactors

    International Nuclear Information System (INIS)

    Angerer, G.

    1978-08-01

    During loss-of-coolant-flow accidents in liquid metal cooled fast breeder reactors with failure to scram the fuel claddings will melt after boiling and evaporation of the coolant. The CMOT model presented here describes the subsequent process of relocation and resolidification of the molten claddings. The basic thermohydrodynamics equations of the two-phase flow of cladding material and sodium vapor are solved numerically by differential approximations in a Eulerian reference net. The results calculated by the model improved the insight into the dynamics of the cladding relocation process. Here are the main results: - Shortly after the onset of cladding relocation large waves of molten cladding material are generated. The motion of these waves contributes considerably to the material transport. - The dynamics of cladding relocation exhibits strong local incoherences. - The formation of cladding blockages observed at the ends of the fuel region is confirmed by the calculations. - In case of incoherent cladding meltoff less cladding material is transported upwards. - Cladding relocation strongly depends on the axial pressure drop and the underlying friction factor correlations. Recalculation of the R5 loss-of-coolant-flow experiment performed in the U.S. TREAT test reactor is in good agreement with the experimental data. (orig./HP) 891 HP [de

  4. 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

  5. Deformation behavior of laser welds in high temperature oxidation resistant Fe–Cr–Al alloys for fuel cladding applications

    Energy Technology Data Exchange (ETDEWEB)

    Field, Kevin G., E-mail: fieldkg@ornl.gov; Gussev, Maxim N., E-mail: gussevmn@ornl.gov; Yamamoto, Yukinori, E-mail: yamamotoy@ornl.gov; Snead, Lance L., E-mail: sneadll@ornl.gov

    2014-11-15

    Ferritic-structured Fe–Cr–Al alloys are being developed and show promise as oxidation resistant accident tolerant light water reactor fuel cladding. This study focuses on investigating the weldability and post-weld mechanical behavior of three model alloys in a range of Fe–(13–17.5)Cr–(3–4.4)Al (wt.%) with a minor addition of yttrium using modern laser-welding techniques. A detailed study on the mechanical performance of bead-on-plate welds using sub-sized, flat dog-bone tensile specimens and digital image correlation (DIC) has been carried out to determine the performance of welds as a function of alloy composition. Results indicated a reduction in the yield strength within the fusion zone compared to the base metal. Yield strength reduction was found to be primarily constrained to the fusion zone due to grain coarsening with a less severe reduction in the heat affected zone. For all proposed alloys, laser welding resulted in a defect free weld devoid of cracking or inclusions.

  6. Development of low-Cr ODS FeCrAl alloys for accident-tolerant fuel cladding

    Science.gov (United States)

    Dryepondt, Sebastien; Unocic, Kinga A.; Hoelzer, David T.; Massey, Caleb P.; Pint, Bruce A.

    2018-04-01

    Low-Cr oxide dispersion strengthened (ODS) FeCrAl alloys were developed as accident tolerant fuel cladding because of their excellent oxidation resistance at very high temperature, high strength and improved radiation tolerance. Fe-12Cr-5Al wt.% gas atomized powder was ball milled with Y2O3+FeO, Y2O3+ZrO2 or Y2O3+TiO2, and the resulting powders were extruded at 950 °C. The resulting fine grain structure, particularly for the Ti and Zr containing alloys, led to very high strength but limited ductility. Comparison with variants of commercial PM2000 (Fe-20Cr-5Al) highlighted the significant impact of the powder consolidation step on the alloy grain size and, therefore, on the alloy mechanical properties at T < 500 °C. These low-Cr compositions exhibited good oxidation resistance at 1400 °C in air and steam for 4 h but could not form a protective alumina scale at 1450 °C, similar to observations for fine grained PM2000 alloys. The effect of alloy grain size, Zr and Ti additions, and impurities on the alloy mechanical and oxidation behaviors are discussed.

  7. Deformation behavior of laser welds in high temperature oxidation resistant Fe-Cr-Al alloys for fuel cladding applications

    Science.gov (United States)

    Field, Kevin G.; Gussev, Maxim N.; Yamamoto, Yukinori; Snead, Lance L.

    2014-11-01

    Ferritic-structured Fe-Cr-Al alloys are being developed and show promise as oxidation resistant accident tolerant light water reactor fuel cladding. This study focuses on investigating the weldability and post-weld mechanical behavior of three model alloys in a range of Fe-(13-17.5)Cr-(3-4.4)Al (wt.%) with a minor addition of yttrium using modern laser-welding techniques. A detailed study on the mechanical performance of bead-on-plate welds using sub-sized, flat dog-bone tensile specimens and digital image correlation (DIC) has been carried out to determine the performance of welds as a function of alloy composition. Results indicated a reduction in the yield strength within the fusion zone compared to the base metal. Yield strength reduction was found to be primarily constrained to the fusion zone due to grain coarsening with a less severe reduction in the heat affected zone. For all proposed alloys, laser welding resulted in a defect free weld devoid of cracking or inclusions.

  8. Task Group E: fuel-cladding interface reactions. Second quarterly report

    International Nuclear Information System (INIS)

    Kangilaski, M.; Adamson, M.G.

    1974-01-01

    An interim assessment of possible interactions and their consequences in the various fuel systems was completed. The assessment discusses the interactions of advanced cladding alloys with: (1) helium bonded mixed oxides; (2) helium and sodium bonded mixed carbides; and (3) helium and sodium bonded mixed nitrides

  9. Chemical reaction due to stronger Ramachandran interaction

    Indian Academy of Sciences (India)

    actions between two polarized atoms are responsible for initiating a chemical reaction, either before or after ... Chemical reaction; Ramachandran interaction; anisotropic and asymmetric polarization; ionization ..... man sequence exactly, including the generalized mech- ..... We now move on and rearrange Eq. (8) to arrive at.

  10. Atomic and Molecular Manipulation of Chemical Interactions

    National Research Council Canada - National Science Library

    Ho, Wilson

    2007-01-01

    .... In effect, the goal is to carry out chemical changes by manipulating individual atoms and molecules to induce different bonding geometry and to create new interactions with their environment. These studies provide the scientific basis for the advancement of technology in catalysis, molecular electronics, optics, chemical and biological sensing, and magnetic storage.

  11. Chemical ecology of insects and tritrophic interactions

    International Nuclear Information System (INIS)

    Ahmad, F.; Aslam, M.; Razaq, M.

    2004-01-01

    This paper reviews the chemical ecology of insects to explain the role of semiochemicals in plant-herbivore, herbivore-carnivore and plant-carnivore interactions. The semiochemical, mediating tritrophic interactions may be produced by plants, herbivores or their natural enemies (carnivores). Some semiochemicals attract the herbivores and carnivores and mediate interaction among them, while on the other hand some repel them. The semiochemicals are used by heribivores, parasites and predators as cues to locate food, host or prey. The same chemicals are also used for defensive purpose by some herbivores against their natural enemies as they are sequestered through their bodies. (author)

  12. Development of optimized advanced austenitic steels (II). Evaluation of out-of-pile testing results of the test fuel claddings

    Energy Technology Data Exchange (ETDEWEB)

    Uwaba, Tomoyuki; Mizuta, Shunji; Ukai, Shigeharu [Japan Nuclear Cycle Development Inst., Oarai, Ibaraki (Japan). Oarai Engineering Center

    2000-03-01

    14Cr-25Ni optimized advanced austenitic steels have been developed to improve the swelling resistance of 15Cr-20Ni austenitic stainless steels used for FBR fuel cladding. In this improvement, Ti, Nb, V and P were dissolved into 14Cr-25Ni matrix by means of the high-temperature solution treatment to make finely distributed and stabilized precipitates in the operation. Furthermore, at the final stage of cold-working, cold-working level increased and residual stress was reduced. In this study, as fabricated microstructure observation, solubility of alloying elements and grain size test in the manufacturing process were evaluated. Following results were obtained. (1) Spherical precipitates were observed in the grain. Most of them were identified as complexed carbide-nitride [Ti,Nb(C,N)] by EDX analysis. (2) The dissolved percentages of Ti and Ni in the matrix were about 70% and 30% respectively. Undissolved Ti and Nb may react with undissolved carbon and precipitate as MC carbides. (3) High-temperature solution treatment is effective for the sufficient solubility of alloying elements, but it is likely to induce very large grains, which is the cause of defective signal in the ultrasonic alloy testing. The results of the grain size test showed that the large grain size is reduced in low Nb (0.1wt%) alloy compared with the standard alloy (0.2wt% Nb), and the effectiveness for the grain size control by reducing the Nb content was confirmed. Also, it was suggested that the intermediate heat treatment and cold work conditions would possibly avoid the occurrence of the large grain at the final heat treatment. (author)

  13. Thermodynamic studies of thorium carbide fuel preparation and fuel-clad comptability

    International Nuclear Information System (INIS)

    Besmann, T.M.; Beahm, E.C.

    1979-01-01

    The carbothermic reduction of thorium and uranium-thorium dioxide to monocarbide has been assessed. Equilibrium calculations have yielded Th-C-O and U-Th-C-O phase equilibria and (CO) pressures generated during reduction. The (CO) pressures were found to be at least five orders of magnitude greater than any of the other 15 gaseous species considered. This confirms that the monocarbide can successfully be prepared by carbothermic reduction. The chemical compatibility of thorium carbides with the Cr-Fe-Ni content of clad alloys has been thermodynamically avaluated. Solid solutions of 5 > and 5 > and of 7 C 3 > and 7 C 3 > were the principal reaction products. The Cr-Fe-Ni content of 316 stainless steel showed much less reaction product than that for any of the other six alloys considered. (orig.) [de

  14. Conditioning of high activity solid waste: fuel claddings and dissolution residues

    International Nuclear Information System (INIS)

    Anon.

    1982-01-01

    This chapter reports on experimental studies of embedding into matrix material, the melting and conversion of zircaloy, and waste properties and characterization. Methods are developed for embedding the waste scrap into a solid and resistant matrix material in order to confine the radioactivity and to prevent it from dispersion. The matrix materials investigated are lead alloys, ceramics and compacted graphite or aluminium powder. The treatment of fuel hulls by melting or chemical conversion is described. Cemented hulls are characterized and the pyrophoricity of zircaloy fines is investigated. Topics considered include the embedding of hulls into graphite and aluminium, the embedding of hulls and dissolution residues into alumino-ceramics, the solidification of alpha-bearing wastes into a ceramic matrix, and the conditioning of cladding waste by eutectoidic melting and by embedding in glass

  15. Reuse of spent fuel cladding Zr by molten salt toward advanced recycle society

    International Nuclear Information System (INIS)

    Amano, Osamu; Kobayashi, Hiroaki; Suzuki, Kazunori; Yasuike, Y.; Sato, Nobuaki

    2003-01-01

    Cladding tubes of zircaloy 95% generated from reprocessing process for spent nuclear fuels are to be chopped in about 3 cm length, compacted and solidified with cements. This paper reports the summary of investigation of the present possible techniques for zirconium recovery: (1) electrolysis of molten salts (Zr-chlorides and/or fluorides) and (2) separation as volatile zirconium chlorides (ZrCl 4 ) (chloride volatility process) followed by reaction with metallic magnesium at 900degC to produce sponged Zr (Kroll method). The feasibility are discussed from the point of view of reduction of secondary radioactive wastes, accumulation of such nuclides as Co-60 and Ni-63 in electrolytic basin, radioactivity estimation in the products, and also problems of cleaning and reducing chemicals. (S. Ohno)

  16. Characterisation of AGR fuel cladding alloy using secondary ion mass spectrometry

    International Nuclear Information System (INIS)

    Allen, G.C.; Sparry, R.P.; Wild, R.K.

    1987-08-01

    Uranium dioxide fuel used in the Advanced Gas Cooled Reactor (AGR) is contained in a ribbed can of 20wt%Cr/25wt%Ni/Nb stabilised steel. Laboratory circumstances, spall during thermal cycling. To date it has been difficult to identify active material originating from the oxidation product of the cladding alloy in the cooling circuit. In an attempt to solve this problem we have set out to characterise fully a sample of oxide from this source and work is in progress to obtain suitable oxide samples from the surface of a 20%Cr/25%Ni/Nb stainless steel. In view of its high sensitivity and the ability to obtain chemical information from relatively small areas we have sought to use Secondary Ion Mass Spectroscopy (SIMS). (author)

  17. Susceptibility based upon Chemical Interaction with Disease ...

    Science.gov (United States)

    One of the challenges facing toxicology and risk assessment is that numerous host and environmental factors may modulate vulnerability and risk. An area of increasing interest is the potential for chemicals to interact with background aging and disease processes, an interaction that may yield cumulative damage, altered chemical potency, and increased disease incidence. This review outlines the interactions possible between chemicals and background disease and identifies the type of information needed to evaluate such interactions. Key among these is the existence of a clinically relevant and easy to measure biomarker of disease risk which allows the identification of vulnerable individuals based upon the level of risk biomarker. The impact of toxic chemicals on this biomarker can then be used to predict how the chemical modifies disease risk as long as related mechanistic and toxicological data are consistent with toxicant effect on the disease process. Several case studies are briefly presented which describe the toxic chemical, the clinical biomarker and the impacted disease including: fine particulate matter/decreased heart rate variability/increased cardiopulmonary events; cadmium/decreased glomerular filtration rate/increased chronic kidney disease; methyl mercury/decreased paraoxonase-1/increased cardiovascular risk; trichloroethylene/increased anti-nuclear antibody/autoimmunity; dioxin/increased CYP1A1/hypertension. These case studies point o

  18. Development of Cr cold spray–coated fuel cladding with enhanced accident tolerance

    Directory of Open Access Journals (Sweden)

    Martin Ševeček

    2018-03-01

    Full Text Available Accident-tolerant fuels (ATFs are currently of high interest to researchers in the nuclear industry and in governmental and international organizations. One widely studied accident-tolerant fuel concept is multilayer cladding (also known as coated cladding. This concept is based on a traditional Zr-based alloy (Zircaloy-4, M5, E110, ZIRLO etc. serving as a substrate. Different protective materials are applied to the substrate surface by various techniques, thus enhancing the accident tolerance of the fuel. This study focuses on the results of testing of Zircaloy-4 coated with pure chromium metal using the cold spray (CS technique. In comparison with other deposition methods, e.g., Physical vapor deposition (PVD, laser coating, or Chemical vapor deposition techniques (CVD, the CS technique is more cost efficient due to lower energy consumption and high deposition rates, making it more suitable for industry-scale production. The Cr-coated samples were tested at different conditions (500°C steam, 1200°C steam, and Pressurized water reactor (PWR pressurization test and were precharacterized and postcharacterized by various techniques, such as scanning electron microscopy, Energy-dispersive X-ray spectroscopy (EDX, or nanoindentation; results are discussed. Results of the steady-state fuel performance simulations using the Bison code predicted the concept's feasibility. It is concluded that CS Cr coating has high potential benefits but requires further optimization and out-of-pile and in-pile testing. Keywords: Accident-Tolerant Fuel, Chromium, Cladding, Coating, Cold Spray, Nuclear Fuel

  19. Evaluations of Mo-alloy for light water reactor fuel cladding to enhance accident tolerance

    Directory of Open Access Journals (Sweden)

    Cheng Bo

    2016-01-01

    Full Text Available Molybdenum based alloy is selected as a candidate to enhance tolerance of fuel to severe loss of coolant accidents due to its high melting temperature of ∼2600 °C and ability to maintain sufficient mechanical strength at temperatures exceeding 1200 °C. An outer layer of either a Zr-alloy or Al-containing stainless steel is designed to provide corrosion resistance under normal operation and oxidation resistance in steam exceeding 1000 °C for 24 hours under severe loss of coolant accidents. Due to its higher neutron absorption cross-sections, the Mo-alloy cladding is designed to be less than half the thickness of the current Zr-alloy cladding. A feasibility study has been undertaken to demonstrate (1 fabricability of long, thin wall Mo-alloy tubes, (2 formability of a protective outer coating, (3 weldability of Mo tube to endcaps, (4 corrosion resistance in autoclaves with simulated LWR coolant, (5 oxidation resistance to steam at 1000–1500 °C, and (6 sufficient axial and diametral strength and ductility. High purity Mo as well as Mo + La2O3 ODS alloy have been successfully fabricated into ∼2-meter long tubes for the feasibility study. Preliminary results are encouraging, and hence rodlets with Mo-alloy cladding containing fuel pellets have been under preparation for irradiation at the Advanced Test Reactor (ATR in Idaho National Laboratory. Additional efforts are underway to enhance the Mo cladding mechanical properties via process optimization. Oxidation tests to temperatures up to 1500 °C, and burst and creep tests up to 1000 °C are also underway. In addition, some Mo disks in close contact with UO2 from a previous irradiation program (to >100 GWd/MTU at the Halden Reactor have been subjected to post-irradiation examination to evaluate the chemical compatibility of Mo with irradiated UO2 and fission products. This paper will provide an update on results from the feasibility study and discuss the attributes of the

  20. Investigation of Y2O3 distribution in the welded joints of the fast reactor fuel claddings made of oxide dispersion strengthened steel

    International Nuclear Information System (INIS)

    Tabakin, E.M.; Kuz'min, S.V.; Ivanovich, Yu.V.; Ukai, Sh.; Kaito, T.; Seki, M.

    2007-01-01

    The study results of Y 2 O 3 distribution in welded joints of claddings from oxide dispersion strengthened steel produced by the technique of powder metallurgy are given in this paper. Change of content and distribution uniformity of yttrium oxide in welds in comparison with metal shell is the result of using flash welding of thin-walled fuel claddings. It is shown that concentration and yttrium oxide distribution uniformity in the cross section of weld, made by pulse laser welding is more high as compared with argon-arc welding [ru

  1. Eddy-current testing and analysis of a sample of Zircaloy fuel cladding for the OECD Halden 'Round-Robin' exercise (Phase II)

    International Nuclear Information System (INIS)

    Watson, P.C.; Cross, M.T.

    1987-02-01

    Two samples of Zircaloy fuel cladding were supplied, one containing pre-measured defects of known type and size, and the other containing unknown defects. Eddy-current testing techniques were used to ascertain the nature of the unknown defects. By using a high resolution encircling coil and a probe coil and then processing digitally the data with specially prepared software, nine internal defects, of volume 0.18 to 0.86 mm 3 were located positively and identified, despite interference from heavily fluctuating background signals. (author)

  2. Chemical reaction due to stronger Ramachandran interaction

    Indian Academy of Sciences (India)

    The origin of a chemical reaction between two reactant atoms is associated with the activation energy, on the assumption that, high-energy collisions between these atoms, are the ones that overcome the activation energy. Here, we show that a stronger attractive van der Waals (vdW) and electron-ion Coulomb interactions ...

  3. Interactive Mathematica Simulations in Chemical Engineering Courses

    Science.gov (United States)

    Falconer, John L.; Nicodemus, Garret D.

    2014-01-01

    Interactive Mathematica simulations with graphical displays of system behavior are an excellent addition to chemical engineering courses. The Manipulate command in Mathematica creates on-screen controls that allow users to change system variables and see the graphical output almost instantaneously. They can be used both in and outside class. More…

  4. Investigation of thermally sensitised stainless steels as analogues for spent AGR fuel cladding to test a corrosion inhibitor for intergranular stress corrosion cracking

    Science.gov (United States)

    Whillock, Guy O. H.; Hands, Brian J.; Majchrowski, Tom P.; Hambley, David I.

    2018-01-01

    A small proportion of irradiated Advanced Gas-cooled Reactor (AGR) fuel cladding can be susceptible to intergranular stress corrosion cracking (IGSCC) when stored in pond water containing low chloride concentrations, but corrosion is known to be prevented by an inhibitor at the storage temperatures that have applied so far. It may be necessary in the future to increase the storage temperature by up to ∼20 °C and to demonstrate the impact of higher temperatures for safety case purposes. Accordingly, corrosion testing is needed to establish the effect of temperature increases on the efficacy of the inhibitor. This paper presents the results of studies carried out on thermally sensitised 304 and 20Cr-25Ni-Nb stainless steels, investigating their grain boundary compositions and their IGSCC behaviour over a range of test temperatures (30-60 °C) and chloride concentrations (0.3-10 mg/L). Monitoring of crack initiation and propagation is presented along with preliminary results as to the effect of the corrosion inhibitor. 304 stainless steel aged for 72 h at 600 °C provided a close match to the known pond storage corrosion behaviour of spent AGR fuel cladding.

  5. Interaction between diffusion and chemical stresses

    International Nuclear Information System (INIS)

    Yang Fuqian

    2005-01-01

    The present work studies the interaction between chemical stresses and diffusion. A new relation between hydrostatic stress and concentration of solute atoms is established. For a solid free of action of body force, the Laplacian of the hydrostatic stress is proportional to the Laplacian of the concentration of solute atoms, that is, deviation of the hydrostatic stress from its local average is proportional to deviation of the local concentration of solute atoms. A general relationship among surface concentration of solute atoms, normal stress and surface deformation of a solid is then derived, in which the normal stress is dependent on the mean curvature of the undeformed surface and tangential components of the surface displacement. A closed-form solution of the steady state concentration of solute atoms in a thin plate is obtained. It turns out that linear distribution of solute atoms in the plate is non-existent due to the interaction between chemical stresses and diffusion

  6. Oxygen Chemical Diffusion Coefficients of (Pu,Am)O2 Fuels

    International Nuclear Information System (INIS)

    Watanabe, M.; Kato, M.; Matsumoto, T.

    2015-01-01

    Minor actinide (MA)-bearing MOX fuels have been developed as candidate fuels which are used in fast neutron spectrum cores such as sodium-cooled fast reactor (SFR) cores and experimental accelerator driven system (ADS) cores. Americium (Am) which is one of the MA elements significantly affects basic properties. It is known that Am content causes oxygen potential to increase and that influences irradiation behaviour such as fuel-cladding chemical interaction (FCCI) and chemical state of fission products. However, the effects of Am content on changes of basic properties are not clear. In this work, the oxygen chemical diffusion coefficients were calculated from measured data and the relationship between oxygen diffusion and oxygen potential of (Pu,Am)O 2-x was discussed. (authors)

  7. The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer.

    Directory of Open Access Journals (Sweden)

    Lei Chen

    Full Text Available Lung cancer causes over one million deaths every year worldwide. However, prevention and treatment methods for this serious disease are limited. The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments. This study employed a weighted network, constructed using chemical-chemical interaction information, to identify new chemicals related to two types of lung cancer: non-small lung cancer and small-cell lung cancer. Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections. A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

  8. Boron-bearing Influences of 9Cr-0.5Mo-2W-V-Nb Ferritic/Martensitic Steels for a SFR Fuel Cladding

    International Nuclear Information System (INIS)

    Baek, Jong-Hyuk; Han, Chang-Hee; Kim, Woo-Gon; Kim, Sung-Ho; Lee, Chan-Bock

    2008-01-01

    Currently the principal materials in a SFR (sodium-cooled fast reactor) of Gen-IV nuclear system are considering stainless steels (e.g. austenitic steels and ferritic/martensitic steels) for pressure boundary and structural applications in the primary circuit (cladding, duct, cold and hot leg piping, and pressure vessel). There are sound technical justifications for these material selections, and the adoption of these stainless steels for a wide range of nuclear and non-nuclear applications has generated much industrial technology and experience. However, there are strong incentives to develop advanced materials, especially cladding, for the Gen-IV SFR. The Gen-IV SFR is to have a considerable increase in safety and be economically competitive when compared with the conventional water reactors. To accomplish these objectives, the development of the fuel cladding material should be set forth as a premise because its integrity is directly related to those of the reactor system as well as the fuel in the Gen-IV SFR. Since last year, a R and D program was launched to develop the improved ferritic/martensitic steel for the Gen-IV SFR fuel cladding. Categories of materials considered in the program included 8 - 12% Cr ferritic/ martensitic steels. A strong recommendation was made for the development of a high strength steel equivalent to or superior to ASTM Gr.92 steel to offset the difficulties encountered with commercial available steels of the 8 - 12% Cr group. That is, since fuel cladding in the Gen-IV SFR would operate under higher temperatures than 600 .deg. C, contacting with liquid sodium, and be irradiated by neutrons to as high as 200dpa, the cladding should thus sustain both superior irradiation and temperature stabilities during an operational life. The newly developed advanced steel should overcome the severe drawback; mechanical properties, especially creep, are deteriorated at a higher temperature over 600 .deg. C. In this study, as one of the composition

  9. Thermal-hydraulics analysis of a PWR reactor using zircaloy and carbide silicon reinforced with type S fibers as fuel claddings: Simulation of a channel blockage transient

    Energy Technology Data Exchange (ETDEWEB)

    Matuck, Vinicius; Ramos, Mario C.; Faria, Rochkhudson B.; Reis, Patricia A.L.; Costa, Antonella L.; Pereira, Claubia, E-mail: rochkdefaria@yahoo.com.br, E-mail: matuck747@gmail.com, E-mail: patricialire@yahoo.com.br, E-mail: marc5663@gmail.com, E-mail: antonella@nuclear.ufmg.br, E-mail: claubia@nuclear.ufmg.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte (Brazil). Departamento de Engenharia Nuclear

    2017-11-01

    A detailed thermal-hydraulic reactor model using as reference data from the Angra 2 Final Safety Analysis Report (FSAR) has been developed and SiC reinforced with Hi-Nicalon type S fibers (SiC HNS) was used as fuel cladding. The goal is to compare its behavior from the thermal viewpoint with the Zircaloy, at the steady- state and transient conditions. The RELAP-3D was used to perform the thermal-hydraulic analysis and a blockage transient has been investigated at full power operation. The transient considered is related to total obstruction of a core cooling channel of one fuel assembly. The calculations were performed using a point kinetic model. The reactor behavior after this transient was analyzed and the time evolution of cladding and coolant temperatures mass flow and void fraction are presented. (author)

  10. Evaluation of Thermal Creep and Hydride Re-orientation Properties of High Burnup Spent Fuel Cladding under Long Term Dry storage

    Energy Technology Data Exchange (ETDEWEB)

    Kamimura, K [JNES (Japan)

    2012-07-01

    In Japan, spent fuels will be reprocessed as recyclable energy source at a reprocessing plant. The first commercial plant is under-constructing and will start operation in 2008. It is necessary that spent fuels should be stored in the independent interim storage facilities (ISF) until reprocessing. Utilities plan the operation of the first ISF in 2010. JNES has a mission to support the safety body by researching the data of technical standard and regulation. Investigating of spent fuel integrity during long term dry storage is one of them. The objectives are: 1) Evaluation of the effects of material design changes on creep properties of high burnup spent fuel cladding; 2) Evaluation of the effects of alloy elements and texture of irradiated Zircaloy on hydride re-orientation properties and the effects of radial hydrides on cladding mechanical properties; 3) Evaluation of the effects of temperature on irradiation hardening recovery.

  11. High temperature mechanisms and kinetics of SiC oxidation under low partial pressures of oxygen: application to the fuel cladding of gas fast reactors

    International Nuclear Information System (INIS)

    Hun, N.

    2011-01-01

    Gas Fast Reactor (GFR) is one of the different Generation IV concepts under investigation for energy production. SiC/SiC composites are candidates of primary interest for a GFR fuel cladding use, thanks to good corrosion resistance among other properties. The mechanisms and kinetics of SiC oxidation under operating conditions have to be identified and quantified as the corrosion can decrease the mechanical properties of the composite. An experimental device has been developed to study the oxidation of silicon carbide under high temperature and low oxygen partial pressure. The results pointed out that not only parabolic oxidation, but also interfacial reactions and volatilization occur under such conditions. After determining the kinetics of each mechanism, as functions of oxygen partial pressure and temperature, the data are used for the modeling of the composites oxidation. The model will be used to predict the lifetime of the composite in operating conditions. (author) [fr

  12. Discriminative Chemical Patterns: Automatic and Interactive Design.

    Science.gov (United States)

    Bietz, Stefan; Schomburg, Karen T; Hilbig, Matthias; Rarey, Matthias

    2015-08-24

    The classification of molecules with respect to their inhibiting, activating, or toxicological potential constitutes a central aspect in the field of cheminformatics. Often, a discriminative feature is needed to distinguish two different molecule sets. Besides physicochemical properties, substructures and chemical patterns belong to the descriptors most frequently applied for this purpose. As a commonly used example of this descriptor class, SMARTS strings represent a powerful concept for the representation and processing of abstract chemical patterns. While their usage facilitates a convenient way to apply previously derived classification rules on new molecule sets, the manual generation of useful SMARTS patterns remains a complex and time-consuming process. Here, we introduce SMARTSminer, a new algorithm for the automatic derivation of discriminative SMARTS patterns from preclassified molecule sets. Based on a specially adapted subgraph mining algorithm, SMARTSminer identifies structural features that are frequent in only one of the given molecule classes. In comparison to elemental substructures, it also supports the consideration of general and specific SMARTS features. Furthermore, SMARTSminer is integrated into an interactive pattern editor named SMARTSeditor. This allows for an intuitive visualization on the basis of the SMARTSviewer concept as well as interactive adaption and further improvement of the generated patterns. Additionally, a new molecular matching feature provides an immediate feedback on a pattern's matching behavior across the molecule sets. We demonstrate the utility of the SMARTSminer functionality and its integration into the SMARTSeditor software in several different classification scenarios.

  13. High temperature steam oxidation of Al3Ti-based alloys for the oxidation-resistant surface layer on Zr fuel claddings

    International Nuclear Information System (INIS)

    Park, Jeong-Yong; Kim, Il-Hyun; Jung, Yang-Il; Kim, Hyun-Gil; Park, Dong-Jun; Choi, Byung-Kwon

    2013-01-01

    We investigated the feasibility to apply Al 3 Ti-based alloys as the surface layer for improving the oxidation resistance of Zr fuel claddings under accident conditions. Two types of Al 3 Ti-based alloys with the compositions of Al–25Ti–10Cr and Al–21Ti–23Cr in atomic percent were prepared by arc-melting followed by homogenization annealing at 1423 K for 48 h. Al–25Ti–10Cr alloy showed an L1 2 quasi-single phase microstructure with a lot of needle-shaped minor phase and pores. Al–21Ti–23Cr alloy consisted of an L1 2 matrix and Cr 2 Al as the second phase. Al 3 Ti-based alloys showed an extremely low oxidation rate in a 1473 K steam for up to 7200 s when compared to Zircaloy-4. Both alloys exhibited almost the same oxidation rate in the early stage of oxidation, but Al–25Ti–10Cr showed a little lower oxidation rate after 4000 s than Al–21Ti–23Cr. The difference in the oxidation rate between two types of Al 3 Ti-based alloys was too marginal to distinguish the oxidation behavior of each alloy. The resultant oxide exhibited almost the same characteristics in both alloys even though the microstructure was explicitly distinguished from each other. The crystal structure of the oxide formed up to 2000 s was identified as Al 2 O 3 in both alloys. The oxide morphology consisted of columnar grains whose length was almost identical to the average oxide thickness. On the basis of the results obtained, it is considered that Al 3 Ti-based alloy is one of the promising candidates for the oxidation-resistant surface layer on Zr fuel claddings

  14. Development of Self-Healing Zirconium-Silicide Coatings for Improved Performance Zirconium-Alloy Fuel Cladding

    Energy Technology Data Exchange (ETDEWEB)

    Sridharan, Kumar [University of Wisconsin-Madison; Mariani, Robert [Idaho National Lab. (INL), Idaho Falls, ID (United States); Bai, Xianming [Idaho National Lab. (INL), Idaho Falls, ID (United States); Xu, Peng [Westinghouse Electric Company; Lahoda, Ed [Westinghouse Electric Company

    2018-03-31

    Given the long-term goal of developing such coatings for use with nuclear reactor fuel cladding, this work describes results of oxidation and corrosion behavior of bulk zirconium-silicide and fabrication of zirconium-silicide coatings on zirconium-alloy test flats, tube configurations, and SiC test flats. In addition, boiling heat transfer of these modified surfaces (including ZrSi2 coating) during clad quenching experiments is discussed in detail. Oxidation of bulk ZrSi2 was found to be negligible compared to Zircaloy-4 (a common Zr-alloy cladding material) and mechanical integrity of ZrSi2 was superior to that of bulk Zr2Si at high temperatures in ambient air. Very interesting and unique multi-nanolayered composite of ZrO2 and SiO2 were observed. Physical model for the oxidation has been proposed wherein Zr–Si–O mixture undergoes a spinodal phase decomposition into ZrO2 and SiO2, which is manifested as a nanoscale assembly of alternating layer of the two oxides. Steam corrosion at high pressure (10.3 MPa) led to weight loss of ZrSi2 and produced oxide scale with depletion of silicon, possibly attributed to volatile silicon hydroxide, gaseous silicon monoxide, and a solubility of silicon dioxide in water. Only Zircon phase (ZrSiO4) formed during oxidation of ZrSi2 at 1400°C in air, and allowed for immobilization silicon species in oxide scale in the aqueous environments. Zirconium-silicide coatings (on zirconium-alloy substrates) investigated in this study were deposited primarily using magnetron sputter deposition method and slurry method, although powder spray deposition processes cold spray and thermal spray methods were also investigated. The optimized ZrSi2 sputtered coating exhibited a highly protective nature at elevated temperatures in ambient air by mitigating oxygen permeation to the underlying zirconium alloy substrate. The high oxidation resistance of the coating has been shown to be due to nanocrystalline SiO2 and ZrSiO4 phases in the amorphous

  15. Study of the aqueous corrosion mechanisms and kinetics of the AlFeNi aluminium based alloy used for the fuel cladding in the Jules Horowitz research reactor; Etude des mecanismes et des cinetiques de corrosion aqueuse de l'alliage d'aluminium AlFeNi utilise comme gainage du combustible nucleaire de reacteurs experimentaux

    Energy Technology Data Exchange (ETDEWEB)

    Wintergerst, M.

    2009-05-15

    For the Jules Horowitz new material-testing reactor (JHR), an aluminium base alloy, called AlFeNi, will be used for the cladding of the fuel plates. This alloy (Al - 1% Fe - 1% Ni - 1 % Mg), which is already used as fuel cladding, was developed for its good corrosion resistance in water at high temperatures. However, few studies dealing with the alteration process in water and the relationships with irradiation effects have been performed on this alloy. The conception of the JHR fuel requires a better knowledge of the corrosion mechanisms. Corrosion tests were performed in autoclaves at 70 C, 165 C and 250 C on AlFeNi plates representative of the fuel cladding. Several techniques were used to characterize the corrosion scale: SEM, TEM, EPMA, XRD, Raman spectroscopy. Our observations show that the corrosion scale is made of two main layers: a dense amorphous scale close to the metal and a porous crystalline scale in contact with the water. More than the morphology, the chemical compositions of both layers are different. This duplex structure results from a mixed growth mechanism: an anionic growth to develop the inner oxide and a cationic diffusion followed by a dissolution-precipitation process to form the outer one. Dynamic experiments at 70 C and corrosion kinetics measurements have demonstrated that the oxide growth process is controlled by a diffusion step associated to a dissolution/precipitation process. A corrosion mechanism of the AlFeNi alloy in aqueous media has been proposed. Then post-irradiation exams performed on irradiated fuel plates were used to investigate the effects of the irradiation on the corrosion behaviour in the reactor core. (author)

  16. Human Metabolism and Interactions of Deployment-Related Chemicals

    National Research Council Canada - National Science Library

    Hodgson, Ernest

    2003-01-01

    This study examines the human-metabolism and metabolic interactions of a subset of deployment-related chemicals, including chlorpyrifos, DEET, permethrin, pyridostigmine bromide, and sulfur mustard metabolites...

  17. Interactive design of generic chemical patterns.

    Science.gov (United States)

    Schomburg, Karen T; Wetzer, Lars; Rarey, Matthias

    2013-07-01

    Every medicinal chemist has to create chemical patterns occasionally for querying databases, applying filters or describing functional groups. However, the representations of chemical patterns have been so far limited to languages with highly complex syntax, handicapping the application of patterns. Graphic pattern editors similar to chemical editors can facilitate the work with patterns. In this article, we review the interfaces of frequently used web search engines for chemical patterns. We take a look at pattern editing concepts of standalone chemical editors and finally present a completely new, unpublished graphical approach to pattern design, the SMARTSeditor. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. Assessment of oxygen diffusion coefficients by studying high-temperature oxidation behaviour of Zr1Nb fuel cladding in the temperature range of 1100–1300 °C

    Energy Technology Data Exchange (ETDEWEB)

    Négyesi, M., E-mail: negy@seznam.cz [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Trojanova 13, 120 00 Praha 2 (Czech Republic); UJP PRAHA a.s., Nad Kamínkou 1345, 156 10 Praha – Zbraslav (Czech Republic); Chmela, T. [UJP PRAHA a.s., Nad Kamínkou 1345, 156 10 Praha – Zbraslav (Czech Republic); Veselský, T. [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Trojanova 13, 120 00 Praha 2 (Czech Republic); Krejčí, J. [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Trojanova 13, 120 00 Praha 2 (Czech Republic); CHEMCOMEX Praha a.s., Elišky Přemyslovny 379, 156 10 Praha – Zbraslav (Czech Republic); Novotný, L.; Přibyl, A. [UJP PRAHA a.s., Nad Kamínkou 1345, 156 10 Praha – Zbraslav (Czech Republic); Bláhová, O. [New Technologies Research Centre, University of West Bohemia, Univerzitní 8, 306 14 Plzeň (Czech Republic); Burda, J. [NRI Rez plc, Husinec-Řež 130, 250 68 Řež (Czech Republic); Siegl, J. [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Trojanova 13, 120 00 Praha 2 (Czech Republic); Vrtílková, V. [UJP PRAHA a.s., Nad Kamínkou 1345, 156 10 Praha – Zbraslav (Czech Republic)

    2015-01-15

    The paper deals with high-temperature steam oxidation behaviour of Zr1Nb fuel cladding. First of all, comprehensive experimental program was conducted to provide sufficient experimental data, such as the thicknesses of evolved phase layers and the overall weight gain kinetics, as well as the oxygen concentration and nanohardness values at phase boundaries. Afterwards, oxygen diffusion coefficients in the oxide, in the α-Zr(O) layer, in the double-phase (α + β)-Zr region, and in the β-phase region have been estimated based on the experimental data employing analytical solution of the multiphase moving boundary problem, assuming the equilibrium conditions being fulfilled at the interface boundaries. Eventually, the determined oxygen diffusion coefficients served as input into the in-house numerical code, which was designed to predict the high-temperature oxidation behaviour of Zr1Nb fuel cladding. Very good agreement has been achieved between the numerical calculations and the experimental data.

  19. Interactive Chemical Safety for Sustainablity Toxicity Forecaster Dashboard

    Science.gov (United States)

    EPA researchers have been using advances in computational toxicology to address lack of data on the thousands of chemicals. EPA released chemical data on 1,800 chemicals. The 1,800 chemicals were screened in more than 800 rapid, automated tests (called high-throughput screening assays) to determine potential human health effects. The data is available through the interactive Chemical Safety for Sustainability Dashboards (iCSS dashboard) and the complete data sets are also available for download.

  20. Apparatus for assembling and welding end plugs to nuclear fuel cladding tubes and inspecting the end plug welds on an automated basis

    International Nuclear Information System (INIS)

    Schoenig, F.C. Jr.; Walker, E.S.; Cueman, M.K.; Haughton, R.A.; Zuloaga, J.A. Jr.

    1989-01-01

    This patent describes an automated apparatus for welding a separate end plug to one open end of each of a succession of nuclear fuel cladding tubes and for inspecting each end plug weld. The apparatus comprising, in combination: a welding station; a cooldown station for cooling each end plug weld in an inert gas atmosphere; a serial number reader station for reading a serial number on each end plug; a first weld inspection station; a second weld inspection station for generating second weld inspection data; a computer system linked with the serial number reader and the first and second weld inspection stations; an input queue for holding a plurality of tubes; a tube transporter for periodically picking individual tubes from the input queque and conveying the tubes in a direction transverse to their tube axis in indexing steps to index positions respectively axially aligned with the welding, serial number reader, and first and second weld inspection stations; and a sorter positioned at an output end of the tube transporter

  1. On the effect of temperature on the threshold stress intensity factor of delayed hydride cracking in light water reactor fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Holston, Anna-MariaAlvarez; Stjarnsater, Johan [Studsvik Nuclear AB, Nykoping (Sweden)

    2017-06-15

    Delayed hydride cracking (DHC) was first observed in pressure tubes in Canadian CANDU reactors. In light water reactors, DHC was not observed until the late 1990s in high-burnup boiling water reactor (BWR) fuel cladding. In recent years, the focus on DHC has resurfaced in light of the increased interest in the cladding integrity during interim conditions. In principle, all spent fuel in the wet pools has sufficient hydrogen content for DHC to operate below 300°C. It is therefore of importance to establish the critical parameters for DHC to operate. This work studies the threshold stress intensity factor (K{sub IH}) to initiate DHC as a function of temperature in Zry-4 for temperatures between 227°C and 315°C. The experimental technique used in this study was the pin-loading testing technique. To determine the K{sub IH}, an unloading method was used where the load was successively reduced in a stepwise manner until no cracking was observed during 24 hours. The results showed that there was moderate temperature behavior at lower temperatures. Around 300°C, there was a sharp increase in K{sub IH} indicating the upper temperature limit for DHC. The value for K{sub IH} at 227°C was determined to be 2.6 ± 0.3 MPa √m.

  2. Study of the hoop fracture behaviour of nuclear fuel cladding from ring compression tests by means of non-linear optimization techniques

    Energy Technology Data Exchange (ETDEWEB)

    Gómez, F.J., E-mail: javier.gomez@amsimulation.com [Advanced Material Simulation, AMS, Bilbao (Spain); Martin Rengel, M.A., E-mail: mamartin.rengel@upm.es [E.T.S.I. Caminos, Canales y Puertos, Universidad Politécnica de Madrid, C/Professor Aranguren SN, E-28040 Madrid (Spain); Ruiz-Hervias, J.; Puerta, M.A. [E.T.S.I. Caminos, Canales y Puertos, Universidad Politécnica de Madrid, C/Professor Aranguren SN, E-28040 Madrid (Spain)

    2017-06-15

    In this work, the hoop fracture toughness of ZIRLO{sup ®} fuel cladding is calculated as a function of three parameters: hydrogen concentration, temperature and displacement rate. To this end, pre-hydrided samples with nominal hydrogen concentrations of 0 (as-received), 150, 250, 500, 1200 and 2000 ppm were prepared. Hydrogen was precipitated as zirconium hydrides in the shape of platelets oriented along the hoop direction. Ring Compression Tests (RCTs) were conducted at three temperatures (20, 135 and 300 °C) and two displacement rates (0.5 and 100 mm/min). A new method has been proposed in this paper which allows the determination of fracture toughness from ring compression tests. The proposed method combines the experimental results, the cohesive crack model, finite elements simulations, numerical calculations and non-linear optimization techniques. The parameters of the cohesive crack model were calculated by minimizing the difference between the experimental data and the numerical results. An almost perfect fitting of the experimental results is achieved by this method. In addition, an estimation of the error in the calculated fracture toughness is also provided.

  3. On the effect of temperature on the threshold stress intensity factor of delayed hydride cracking in light water reactor fuel cladding

    Directory of Open Access Journals (Sweden)

    Anna-Maria Alvarez Holston

    2017-06-01

    Full Text Available Delayed hydride cracking (DHC was first observed in pressure tubes in Canadian CANDU reactors. In light water reactors, DHC was not observed until the late 1990s in high-burnup boiling water reactor (BWR fuel cladding. In recent years, the focus on DHC has resurfaced in light of the increased interest in the cladding integrity during interim conditions. In principle, all spent fuel in the wet pools has sufficient hydrogen content for DHC to operate below 300°C. It is therefore of importance to establish the critical parameters for DHC to operate. This work studies the threshold stress intensity factor (KIH to initiate DHC as a function of temperature in Zry-4 for temperatures between 227°C and 315°C. The experimental technique used in this study was the pin-loading testing technique. To determine the KIH, an unloading method was used where the load was successively reduced in a stepwise manner until no cracking was observed during 24 hours. The results showed that there was moderate temperature behavior at lower temperatures. Around 300°C, there was a sharp increase in KIH indicating the upper temperature limit for DHC. The value for KIH at 227°C was determined to be 2.6 ± 0.3 MPa √m.

  4. Irradiation and lithium presence influence on the crystallographic nature of zirconia in the framework of PWR zircaloy 4 fuel cladding corrosion study

    International Nuclear Information System (INIS)

    Gibert, C.

    1999-01-01

    The-increasing deterioration of the initially protective zirconia layer is one of the hypotheses which can explain the impairment with time of PWR fuel cladding corrosion. This deterioration could be worsened by irradiation or lithium presence in the oxidizing medium. The aim of this thesis was to underline the influence of those two parameters on zirconia crystallographic nature. We first studied the impact of ionic irradiation on pure, powdery, monoclinic zirconia and oxidation formed zirconia, mainly with X-ray diffraction and Raman microscopy. The high or low energy particles used (Kr n+- , Ar n+ ) respectively favored electronic or atomic defaults production. The crystallographic analyses showed that these irradiation have a significant effect on zirconia by inducing nucleation or growth of tetragonal phase. The extent depends on sample nature and particles energy. In all cases, phase transformation is correlated with crystalline parameters, grain size and especially micro-stress changes. The results are consistent with those obtained with 1 to 5 cycles PWR claddings. Therefore, the corrosion acceleration observed in reactor can partly be explained by the stress fields appearance under irradiation, which is particularly detrimental to zirconia layer cohesion. Last, we have underlined that the presence of considerable amounts of lithium in the oxidizing medium ((> 700 ppm) induces the disappearance of the tetragonal zirconia located at the metal/oxide interface and the appearance of a porosity of the dense under layer, which looses its protectiveness. (author)

  5. Evaluation of the interfacial shear strength and residual stress of TiAlN coating on ZIRLO™ fuel cladding using a modified shear-lag model approach

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Y., E-mail: troy.liu@manchester.ac.uk [Materials Performance Centre, School of Materials, The University of Manchester, M13 9PL (United Kingdom); Bhamji, I., E-mail: imran.bhamji@manchester.ac.uk [Materials Performance Centre, School of Materials, The University of Manchester, M13 9PL (United Kingdom); Withers, P.J., E-mail: p.j.withers@manchester.ac.uk [Materials Performance Centre, School of Materials, The University of Manchester, M13 9PL (United Kingdom); Wolfe, D.E., E-mail: dew125@arl.psu.edu [The Pennsylvania State University, University Park, State College, PA 16801 (United States); Motta, A.T., E-mail: atmnuc@engr.psu.edu [The Pennsylvania State University, University Park, State College, PA 16801 (United States); Preuss, M., E-mail: michael.preuss@manchester.ac.uk [Materials Performance Centre, School of Materials, The University of Manchester, M13 9PL (United Kingdom)

    2015-11-15

    This paper investigates the residual stresses and interfacial shear strength of a TiAlN coating on Zr–Nb–Sn–Fe alloy (ZIRLO™) substrate designed to improve corrosion resistance of fuel cladding used in water-cooled nuclear reactors, both during normal and exceptional conditions, e.g. a loss of coolant event (LOCA). The distribution and maximum value of the interfacial shear strength has been estimated using a modified shear-lag model. The parameters critical to this analysis were determined experimentally. From these input parameters the interfacial shear strength between the TiAlN coating and ZIRLO™ substrate was inferred to be around 120 MPa. It is worth noting that the apparent strength of the coating is high (∼3.4 GPa). However, this is predominantly due to the large compressive residuals stress (3 GPa in compression), which must be overcome for the coating to fail in tension, which happens at a load just 150 MPa in excess of this.

  6. Ageing at 1203K of 20/25Nb stainless steel AGR fuel cladding material - microstructural development and its effect on creep properties

    International Nuclear Information System (INIS)

    Ecob, R.C.; Gilmour, T.C.

    1986-11-01

    The effects of ageing at 1203K for times up to 2.69Ms on the uniaxial constant stress creep properties of a 20/25Nb AGR fuel cladding alloy at 1073 and 1173K have been investigated and correlated with quantitative measurements of the microstructural developments which occur during exposure to both the ageing and creep testing temperatures. A single creep testing stress of 86.6MPa has been used. It is shown that the variation of minimum creep rate can only be explained in terms of the observed NbC particle coarsening at short ageing times (up to 7.44ks). After longer ageing treatments the minimum creep rate tends to decrease with ageing time, which is interpreted as being due to grain growth and, in particular, the onset of secondary recrystallisation. The minimum creep rates displayed by the material are reduced by factors of up to 20 in the presence of partial secondary recrystallisation. It is concluded that the effects of the development of the NbC particle distributions during 1203K ageing on the 1073 or 1173K uniaxial creep endurance of the material are relatively small. Consideration is given to the circumstances in which it might be of more importance, which include longer 1203K ageing treatments, more complex low strain stress/strain cycles. During the ageing treatments and creep tests investigated in the present work, the only significant influences on creep properties arise from grain growth and secondary recrystallisation. (UK)

  7. Azimuthally anisotropic hydride lens structures in Zircaloy 4 nuclear fuel cladding: High-resolution neutron radiography imaging and BISON finite element analysis

    Science.gov (United States)

    Lin, Jun-Li; Zhong, Weicheng; Bilheux, Hassina Z.; Heuser, Brent J.

    2017-12-01

    High-resolution neutron radiography has been used to image bulk circumferential hydride lens particles in unirradiated Zircaloy 4 tubing cross section specimens. Zircaloy 4 is a common light water nuclear reactor (LWR) fuel cladding; hydrogen pickup, hydride formation, and the concomitant effect on the mechanical response are important for LWR applications. Ring cross section specimens with three hydrogen concentrations (460, 950, and 2830 parts per million by weight) and an as-received reference specimen were imaged. Azimuthally anisotropic hydride lens particles were observed at 950 and 2830 wppm. The BISON finite element analysis nuclear fuel performance code was used to model the system elastic response induced by hydride volumetric dilatation. The compressive hoop stress within the lens structure becomes azimuthally anisotropic at high hydrogen concentrations or high hydride phase fraction. This compressive stress anisotropy matches the observed lens anisotropy, implicating the effect of stress on hydride formation as the cause of the observed lens azimuthal asymmetry. The cause and effect relation between compressive stress and hydride lens anisotropy represents an indirect validation of a key BISON output, the evolved hoop stress associated with hydride formation.

  8. Prevention of significant deterioration permit application for the Fueled Clad Fabrication System, the Radioisotope Power Systems Facility, and the Fuel Assembly Area

    Energy Technology Data Exchange (ETDEWEB)

    1989-08-01

    This New Source Review'' has been submitted by the US Department of Energy-Richland Operations Office (PO Box 550, Richland, Washington 99352), pursuant to WAC 173-403-050 and in compliance with the Department of Ecology Guide to Processing A Prevention Of Significant Deterioration (PSD) Permit'' for three new sources of radionuclide emissions at the Hanford Site in Washington State. The three new sources, the Fueled Clad Fabrication System (FCFS), the Radioisotope Power Systems Facility (RPSF), and the Fuel Assembly Area (FAA), will be located in one facility, the Fuels and Materials Examination Facility (FMEF) of the 400 Area. The FMEF was originally designed to provide for post-irradiation examination and fabrication of breeder reactor fuels. These FMEF missions were cancelled before the introduction of any fuel materials or any irradiated material. The current plans are to use the facility to fabricate power supplies for use in space applications and to produce Fast Flux Test Facility (FFTF) fuel and target assemblies. The FCFS and the RPSF will produce materials and assemblies for application in space. The FAA project will produce FFTF fuel and target assemblies. The FCFS and the RPSF will share the same building, stack, and, in certain cases, the same floor space. Given this relationship, these systems will be dealt with separately to the extent possible. The FAA is a comparatively independent operation though it will share the FMEF complex.

  9. Supplemental information for a notice of construction for the Fueled Clad Fabrication System, the Radioisotope Power Systems Facility, and the Fuel Assembly Area

    Energy Technology Data Exchange (ETDEWEB)

    1989-08-01

    This ''Notice of Construction'' has been submitted by the US Department of Energy-Richland Operations Office (P.O. Box 550, Richland, Washington 99352), pursuant to WAC 402-80-070, for three new sources of radionuclide emissions at the Hanford Site in Washington State (Figure 1). The three new sources, the Fueled Clad Fabrication System (FCFS) the Radioisotope Power Systems Facility (RPSF) and the Fuel Assembly Area (FAA) will be located in one facility, the Fuels and materials Examination Facility (FMEF) of the 400 Area. The FMEF was originally designed to provide for post- irradiation examination and fabrication of breeder reactor fuels. These FMEF missions were cancelled before the introduction of any fuel materials or any irradiated material. The current plans are to use the facility to fabricate power supplies to be used in space applications and to produce Fast Flux Test Facility (FFTF) fuel and target assemblies. The FCFS and the RPSF will produce materials and assemblies for application in space. The FAA project will produce FFTF fuel and target assemblies. The FCFS and the RPSF will share the same building, stack, and, in certain cases, the same floor space. Given this relationship, to the extent possible, these systems will be dealt with separately. The FAA is a comparatively independent operation though it will share the FMEF complex.

  10. Status Report on Irradiation Capsules Designed to Evaluate FeCrAl-UO2 Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Field, Kevin G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Howard, Richard H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-06-24

    This status report provides the background and current status of a series of irradiation capsules that were designed and are being built to test the interactions between candidate FeCrAl cladding for enhanced accident tolerant applications and prototypical enriched commercial UO2 fuel in a neutron radiation environment. These capsules will test the degree, if any, of fuel cladding chemical interactions (FCCI) between FeCrAl and UO2. The capsules are to be irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory to burn-ups of 10, 30, and 50 GWd/MT with a nominal target temperature at the interfaces between the pellets and clad of 350°C.

  11. Predicting Anatomical Therapeutic Chemical (ATC) Classification of Drugs by Integrating Chemical-Chemical Interactions and Similarities

    Science.gov (United States)

    Chen, Lei; Zeng, Wei-Ming; Cai, Yu-Dong; Feng, Kai-Yan; Chou, Kuo-Chen

    2012-01-01

    The Anatomical Therapeutic Chemical (ATC) classification system, recommended by the World Health Organization, categories drugs into different classes according to their therapeutic and chemical characteristics. For a set of query compounds, how can we identify which ATC-class (or classes) they belong to? It is an important and challenging problem because the information thus obtained would be quite useful for drug development and utilization. By hybridizing the informations of chemical-chemical interactions and chemical-chemical similarities, a novel method was developed for such purpose. It was observed by the jackknife test on a benchmark dataset of 3,883 drug compounds that the overall success rate achieved by the prediction method was about 73% in identifying the drugs among the following 14 main ATC-classes: (1) alimentary tract and metabolism; (2) blood and blood forming organs; (3) cardiovascular system; (4) dermatologicals; (5) genitourinary system and sex hormones; (6) systemic hormonal preparations, excluding sex hormones and insulins; (7) anti-infectives for systemic use; (8) antineoplastic and immunomodulating agents; (9) musculoskeletal system; (10) nervous system; (11) antiparasitic products, insecticides and repellents; (12) respiratory system; (13) sensory organs; (14) various. Such a success rate is substantially higher than 7% by the random guess. It has not escaped our notice that the current method can be straightforwardly extended to identify the drugs for their 2nd-level, 3rd-level, 4th-level, and 5th-level ATC-classifications once the statistically significant benchmark data are available for these lower levels. PMID:22514724

  12. Corrosion properties of modified PNC1520 austenitic stainless steel in supercritical water as a fuel cladding candidate material for supercritical water reactor

    International Nuclear Information System (INIS)

    Nakazono, Yoshihisa; Iwai, Takeo; Abe, Hiroaki

    2009-01-01

    The supercritical water-cooled reactor (SCWR) has been designed and investigated because of its high thermal efficiency and plant simplification. There are some advantages including the use of a single phase coolant with high enthalpy. Supercritical Water (SCW) has never been used in nuclear power applications. There are numerous potential problems, particularly with materials. As the operating temperature of SCWR will be between 553 K and 893 K with a pressure of 25 MPa, the selection of materials is difficult and important. The PNC1520 austenitic stainless steel has been developed by Japan Atomic Energy Agency (JAEA) as a nuclear fuel cladding material for a Na-cooled fast breeder reactor. Austenitic Fe-base steels were selected for possible use in supercritical water systems because of their corrosion resistance and radiation resistance. The PNC1520 austenitic stainless steel was selected for possible use in supercritical water systems. The corrosion data of PNC1520 in SCW is required but does not exist. The purpose of the present study is to research the corrosion properties for PNC1520 austenitic stainless steel in SCW. The SCW corrosion test was performed for the standard PNC1520 (1520S) and the Ti-additional type of PNC1520 (1520T) by using a SCW autoclave. The 1520S and 1520T are the first trial production materials of SCWR cladding candidate material in our group. Corrosion and compatibility tests on the austenitic 1520S and 1520T steels in supercritical water were performed at 673, 773 and 600degC with exposures up to 1000 h. We have evaluated the amount of weight gain, weight loss and weight of scale after the corrosion test in SCW for 1520S and 1520T austenitic steels. After 1000 h corrosion test performed, the weight gains of both austenitic stainless steels were less than 2 g/m 2 at 400degC and 500degC. But 1520T weight increases more and weight loss than 1520S at 600degC. The SEM observation result of the surface after 1000 h corrosion of an test

  13. Influence of fuel-cladding system deviations from the model of continuous cylinders on the parameters of WWER fuel element working ability

    International Nuclear Information System (INIS)

    Scheglov, A.

    1994-01-01

    In the programs of fuel rod computation, fuel and cladding are usually presented in the form of coaxial cylinders, which can change their sizes, mechanical and thermal-physical properties. The real fuel element has some typical deviations from this continuous coaxial cylinders (CCC) model as: axial asymmetry of fuel-cladding system (due to the oval form of the cladding, cracking and other type of fuel pallet damage, axial asymmetry of the volumetric heat release), gaps between the pallets (and heat release peaking in fuel near the gap), chambers in the pallets. As a result of these deviations actual fuel rod parameters of working ability - temperature, stresses, thermal fluxes relieved from the cladding, geometry changes - in some locations can greatly vary from the ones calculated according to CCC model. The influence of these deviations is extremely important while calculating the fuel rod, because they are a part of the mechanical excess coefficient. The author reviews the influence of these factors using specific examples. He applies his own two-dimensional codes based on the Finite Elements Method for calculations of temperature fields, stresses and deformation in the fuel rod elements. It is shown that consideration of these deviations, as a rule, leads to the increase of the maximum fuel temperature in the WWER pellets (characterized by a large central hole), temperature of the cladding, thermal flux, relieved by the coolant from the cladding, and stresses in the cladding. It is necessary to consider these factors for both validation of the fuel element working ability and interpretation of the experimental results. 4 tabs., 3 figs., 5 refs

  14. Analysis and Experimental Qualification of an Irradiation Capsule Design for Testing Pressurized Water Reactor Fuel Cladding in the High Flux Isotope Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Kurt R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Howard, Richard H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Daily, Charles R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Petrie, Christian M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-09-01

    The Advanced Fuels Campaign within the Fuel Cycle Research and Development program of the Department of Energy Office of Nuclear Energy is currently investigating a number of advanced nuclear fuel cladding concepts to improve the accident tolerance of light water reactors. Alumina-forming ferritic alloys (e.g., FeCrAl) are some of the leading candidates to replace traditional zirconium alloys due to their superior oxidation resistance, provided no prohibitive irradiation-induced embrittlement occurs. Oak Ridge National Laboratory has developed experimental designs to irradiate thin-walled cladding tubes with representative pressurized water reactor geometry in the High Flux Isotope Reactor (HFIR) under relevant temperatures. These designs allow for post-irradiation examination (PIE) of cladding that closely resembles expected commercially viable geometries and microstructures. The experiments were designed using relatively inexpensive rabbit capsules for the irradiation vehicle. The simplistic designs combined with the extremely high neutron flux in the HFIR allow for rapid testing of a large test matrix, thus reducing the time and cost needed to advanced cladding materials closer to commercialization. The designs are flexible in that they allow for testing FeCrAl alloys, stainless steels, Inconel alloys, and zirconium alloys (as a reference material) both with and without hydrides. This will allow a direct comparison of the irradiation performance of advanced cladding materials with traditional zirconium alloys. PIE will include studies of dimensional change, microstructure variation, mechanical performance, etc. This work describes the capsule design, neutronic and thermal analyses, and flow testing that were performed to support the qualification of this new irradiation vehicle.

  15. In-situ Monitoring of Sub-cooled Nucleate Boiling on Fuel Cladding Surface in Water at 1 bar and 130 bars using Acoustic Emission Method

    Energy Technology Data Exchange (ETDEWEB)

    Baek, Seung Heon; Wu, Kaige; Shim, Hee-Sang; Lee, Deok Hyun; Hur, Do Haeng [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    Crud deposition increases through a sufficient corrosion product supply around the steam-liquid interface of a boiling bubble. Therefore, the understanding of this SNB phenomenon is important for effective and safe operation of nuclear plants. The experimental SNB studies have been performed in visible conditions at a low pressure using a high speed video camera. Meanwhile, an acoustic emission (AE) method is an on-line non-destructive evaluation method to sense transient elastic wave resulting from a rapid release of energy within a dynamic process. Some researchers have investigated boiling phenomena using the AE method. However, their works were performed at atmospheric pressure conditions. Therefore, the objective of this work is for the first time to detect and monitor SNB on fuel cladding surface in simulated PWR primary water at 325 .deg. C and 130 bars using an AE technique. We successfully observed the boiling AE signals in primary water at 1 bar and 130 bars using AE technique. Visualization test was performed effectively to identify a correlation between water boiling phenomenon and AE signals in a transparent glass cell at 1 bar, and the boiling AE signals were in good agreement with the boiling behavior. Based on the obtained correlations at 1 bar, the AE signals obtained at 130 bars were analyzed. The boiling density and size of the AE signals at 130 bars were decreased by the flow parameters. However, overall AE signals showed characteristics and a trend similar to the AE signals at 1 bar. This indicates that boiling AE signals are detected successfully at 130 bars, and the AE technique can be effectively implemented in non-visualized condition at high pressures.

  16. Influence of fuel-cladding system deviations from the model of continuous cylinders on the parameters of WWER fuel element working ability

    Energy Technology Data Exchange (ETDEWEB)

    Scheglov, A [Russian Research Centre Kurchatov Inst., Moscow (Russian Federation)

    1994-12-31

    In the programs of fuel rod computation, fuel and cladding are usually presented in the form of coaxial cylinders, which can change their sizes, mechanical and thermal-physical properties. The real fuel element has some typical deviations from this continuous coaxial cylinders (CCC) model as: axial asymmetry of fuel-cladding system (due to the oval form of the cladding, cracking and other type of fuel pallet damage, axial asymmetry of the volumetric heat release), gaps between the pallets (and heat release peaking in fuel near the gap), chambers in the pallets. As a result of these deviations actual fuel rod parameters of working ability - temperature, stresses, thermal fluxes relieved from the cladding, geometry changes - in some locations can greatly vary from the ones calculated according to CCC model. The influence of these deviations is extremely important while calculating the fuel rod, because they are a part of the mechanical excess coefficient. The author reviews the influence of these factors using specific examples. He applies his own two-dimensional codes based on the Finite Elements Method for calculations of temperature fields, stresses and deformation in the fuel rod elements. It is shown that consideration of these deviations, as a rule, leads to the increase of the maximum fuel temperature in the WWER pellets (characterized by a large central hole), temperature of the cladding, thermal flux, relieved by the coolant from the cladding, and stresses in the cladding. It is necessary to consider these factors for both validation of the fuel element working ability and interpretation of the experimental results. 4 tabs., 3 figs., 5 refs.

  17. Rock-brine chemical interactions. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1982-02-01

    The results of experimental interaction of powdered volcanic rock with aqueous solutions are presented at temperatures from 200 to 400/sup 0/C, 500 to 1000 bars fluid pressure, with reaction durations of approximately 30 days under controlled laboratory conditions. The aim of this research is to develop data on the kinetics and equilibria of rock solution interactions that will provide insight into the complex geochemical processes attending geothermal reservoir development, stimulation, and reinjection. The research was done in the Stanford Hydrothermal Lab using gold cell equipment of the Dickson design. This equipment inverts the solution rock mixture several times a minute to ensure thorough mixing. Solution samples were periodically withdrawn without interruption of the experimental conditions. The data from these experiments suggests a path dependent series of reactions by which geothermal fluids might evolve from meteoric or magmatic sources.

  18. Statistically designed experiments to screen chemical mixtures for possible interactions

    NARCIS (Netherlands)

    Groten, J.P.; Tajima, O.; Feron, V.J.; Schoen, E.D.

    1998-01-01

    For the accurate analysis of possible interactive effects of chemicals in a defined mixture, statistical designs are necessary to develop clear and manageable experiments. For instance, factorial designs have been successfully used to detect two-factor interactions. Particularly useful for this

  19. Climate-chemical interactions and greenhouse effects of trace gases

    Science.gov (United States)

    Shi, Guang-Yu; Fan, Xiao-Biao

    1994-01-01

    A completely coupled one-dimensional radiative-convective (RC) and photochemical-diffusion (PC) model has been developed recently and used to study the climate-chemical interactions. The importance of radiative-chemical interactions within the troposphere and stratosphere has been examined in some detail. We find that increases of radiatively and/or chemically active trace gases such as CO2, CH4 and N2O have both the direct effects and the indirect effects on climate change by changing the atmospheric O3 profile through their interaction with chemical processes in the atmosphere. It is also found that the climatic effect of ozone depends strongly on its vertical distribution throughout the troposphere and stratosphere, as well on its column amount in the atmosphere.

  20. Molecular effects: interactions with chemicals and viruses

    International Nuclear Information System (INIS)

    Hanawalt, P.C.

    1980-01-01

    Research focused upon an understanding of the cellular responses to the molecular effects of ionizing radiation should be an essential program component in the Federal Strategy for Research into the Biological Effects of Ionizing Radiation. Although we know that DNA is a principal target molecule for some highly significant biological effects of ionizing radiation, we need to learn which other target substances such as membrane components may also be important. Most of the emphasis should continue to be on DNA effects and highest priority should be assigned to the identification of the complete spectrum of products produced in DNA. Once the lesions are known we can proceed to determine how these behave as blocks to replication and transcription or as modulators on the fidelity of these crucial processes. Considerable work should be done on the repair of these lesions. High priority should be given to the search for mutants in mammalian cell systems with evident defects in the processing of specific lesions. Viruses should provide important tools for the research in this area, as probes for host cell repair responses and also for the isolation of mutants. Furthermore, it is important to consider the interaction of viruses and ionizing radiation with regard to possible modulating effects on repair processes and tumorigenesis. Finally we must consider the important problem of the modification of repair responses by environmental factors

  1. Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions

    Energy Technology Data Exchange (ETDEWEB)

    Schumann, Frank H.; Riepl, Hubert [University of Regensburg, Institute of Biophysics and Physical Biochemistry (Germany); Maurer, Till [Boehringer Ingelheim Pharma GmbH and Co. KG, Analytical Sciences Department (Germany); Gronwald, Wolfram [University of Regensburg, Institute of Biophysics and Physical Biochemistry (Germany); Neidig, Klaus-Peter [Bruker BioSpin GmbH, Software Department (Germany); Kalbitzer, Hans Robert [University of Regensburg, Institute of Biophysics and Physical Biochemistry (Germany)], E-mail: hans-robert.kalbitzer@biologie.uni-regensburg.de

    2007-12-15

    Protein-protein interactions are often studied by chemical shift mapping using solution NMR spectroscopy. When heteronuclear data are available the interaction interface is usually predicted by combining the chemical shift changes of different nuclei to a single quantity, the combined chemical shift perturbation {delta}{delta}{sub comb}. In this paper different procedures (published and non-published) to calculate {delta}{delta}{sub comb} are examined that include a variety of different functional forms and weighting factors for each nucleus. The predictive power of all shift mapping methods depends on the magnitude of the overlap of the chemical shift distributions of interacting and non-interacting residues and the cut-off criterion used. In general, the quality of the prediction on the basis of chemical shift changes alone is rather unsatisfactory but the combination of chemical shift changes on the basis of the Hamming or the Euclidian distance can improve the result. The corrected standard deviation to zero of the combined chemical shift changes can provide a reasonable cut-off criterion. As we show combined chemical shifts can also be applied for a more reliable quantitative evaluation of titration data.

  2. Integrity assessment of research reactor fuel cladding and material testing using eddy current inspection; Avaliacao de integridade de revestimentos de combustiveis de reatores de pesquisa e teste de materiais utilizando o ensaio de correntes parasitas

    Energy Technology Data Exchange (ETDEWEB)

    Alencar, Donizete Anderson de

    2004-07-01

    A methodology to perform the integrity assessment of research reactors nuclear fuels cladding, such as those installed in IPR-Rl (TRIGA) and IEA-R1 (MTR), using nondestructive electromagnetic inspection (eddy current) is presented. This methodology is constituted by: the development of calibration reference standards, specific for each type of fuel; the development of special test probes; the recommendations for the inspection equipment calibration; the construction of voltage based evaluation curves and the inspection procedures developed for the characterization of detected flaws. The test probes development, specially those designed for the inspection of MTR fuels cladding, which present access difficulties due to the narrow gap between fuel plates (2,89 mm for IEAR-R1), constituted a challenge that demanded the introduction of unusual materials and constructive techniques. The operational performance of the developed resources, as well as the special operative characteristics of the test probes, such as their immunity to adjacent fuel plates interference and electrical resistivity changes of the fuels meat are experimentally demonstrated. The practical applicability of the developed methodology is verified in non radioactive environment, using a dummy MTR fuel element model, similar to an IEA-R1 reactor fuel element, produced and installed in IPEN, Sao Paulo. The efficacy of the proposed methodology was verified by the achieved results. (author)

  3. Chemical-gene interaction networks and causal reasoning for ...

    Science.gov (United States)

    Evaluating the potential human health and ecological risks associated with exposures to complex chemical mixtures in the environment is one of the main challenges of chemical safety assessment and environmental protection. There is a need for approaches that can help to integrate chemical monitoring and biological effects data to evaluate risks associated with chemicals present in the environment. Here, we used prior knowledge about chemical-gene interactions to develop a knowledge assembly model for detected chemicals at five locations near the North Branch and Chisago wastewater treatment plants (WWTP) in the St. Croix River Basin, MN and WI. The assembly model was used to generate hypotheses about the biological impacts of the chemicals at each location. The hypotheses were tested using empirical hepatic gene expression data from fathead minnows exposed for 12 d at each location. Empirical gene expression data were also mapped to the assembly models to evaluate the likelihood of a chemical contributing to the observed biological responses using richness and concordance statistics. The prior knowledge approach was able predict the observed biological pathways impacted at one site but not the other. Atrazine was identified as a potential contributor to the observed gene expression responses at a location upstream of the North Branch WTTP. Four chemicals were identified as contributors to the observed biological responses at the effluent and downstream o

  4. Atom interaction propensities of oxygenated chemical functions in crystal packings

    Directory of Open Access Journals (Sweden)

    Christian Jelsch

    2017-03-01

    Full Text Available The crystal contacts of several families of hydrocarbon compounds substituted with one or several types of oxygenated chemical groups were analyzed statistically using the Hirshfeld surface methodology. The propensity of contacts to occur between two chemical types is described with the contact enrichment descriptor. The systematic large enrichment ratios of some interactions like the O—H...O hydrogen bonds suggests that these contacts are a driving force in the crystal packing formation. The same statement holds for the weaker C—H...O hydrogen bonds in ethers, esters and ketones, in the absence of polar H atoms. The over-represented contacts in crystals of oxygenated hydrocarbons are generally of two types: electrostatic attractions (hydrogen bonds and hydrophobic interactions. While Cl...O interactions are generally avoided, in a minority of chloro-oxygenated hydrocarbons, significant halogen bonding does occur. General tendencies can often be derived for many contact types, but outlier compounds are instructive as they display peculiar or rare features. The methodology also allows the detection of outliers which can be structures with errors. For instance, a significant number of hydroxylated molecules displaying over-represented non-favorable oxygen–oxygen contacts turned out to have wrongly oriented hydroxyl groups. Beyond crystal packings with a single molecule in the asymmetric unit, the behavior of water in monohydrate compounds and of crystals with Z′ = 2 (dimers are also investigated. It was found in several cases that, in the presence of several oxygenated chemical groups, cross-interactions between different chemical groups (e.g. water/alcohols; alcohols/phenols are often favored in the crystal packings. While some trends in accordance with common chemical principles are retrieved, some unexpected results can however appear. For example, in crystals of alcohol–phenol compounds, the strong O—H...O hydrogen bonds between

  5. Quantification of hydrogen distribution with the nuclear microprobe of the Pierre Sue Laboratory in the thickness of the PWR fuel cladding in zirconium alloy; Quantification de la repartition de l'hydrogene a la microsonde nucleaire du Laboratoire Pierre Sue dans l'epaisseur du tube de gainage du combustible des REP en alliage de zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Raepsaet, C. [Laboratoire Pierre Sue (DSM/DRECAM/LPS) - CEA Saclay, 91 - Gif-sur-Yvette (France); Bossis, Ph. [CEA Saclay, Dept. des Materiaux pour le Nucleaire (DEN/DANS/DMN/SEMI/LM2E), 91 - Gif sur Yvette (France); Hamon, D.; Bechade, J.L.; Brachet, J.C. [CEA Saclay, Dept. des Materiaux pour le Nucleaire (DEN/DANS/DMN/SRMA/LA2M), 91 - Gif sur Yvette (France)

    2007-07-01

    In a first part of this study, are detailed the general principles of the specific technique ERDA (Elastic Recoil Detection Analysis) used in the Pierre Sue Laboratory. Then, the contribution of this technique is illustrated with two studies examples on the behaviour of PWR nuclear fuel cladding. (O.M.)

  6. Physico-chemical laws governing solid-liquid interaction

    International Nuclear Information System (INIS)

    Schweich, D.

    1984-01-01

    Physico-chemical interactions between solutes in the aqueous phase and a natural solid are described in terms of four types of mechanisms: linear or non-linear adsorption, ion-exchange, precipitation/dissolution, and chemical reaction. Emphasis is placed on the qualitative differences in behaviour implicit in these mechanisms, attention being drawn to the respective roles of thermodynamics and kinetics. On the quantitative plane, simple theoretical models (and ones that can be used) are presented in parallel to experimental protocols necessary for measuring the interaction parameters. It is pointed out, in particular, that the concept of the distribution coefficient (Ksub(d)) is only an empirical approach to problems which could easily be 'debunked' by means of more realistic, yet at the same time simple, models. (author)

  7. An integrated multi-label classifier with chemical-chemical interactions for prediction of chemical toxicity effects.

    Science.gov (United States)

    Liu, Tao; Chen, Lei; Pan, Xiaoyong

    2018-05-31

    Chemical toxicity effect is one of the major reasons for declining candidate drugs. Detecting the toxicity effects of all chemicals can accelerate the procedures of drug discovery. However, it is time-consuming and expensive to identify the toxicity effects of a given chemical through traditional experiments. Designing quick, reliable and non-animal-involved computational methods is an alternative way. In this study, a novel integrated multi-label classifier was proposed. First, based on five types of chemical-chemical interactions retrieved from STITCH, each of which is derived from one aspect of chemicals, five individual classifiers were built. Then, several integrated classifiers were built by integrating some or all individual classifiers. By testing the integrated classifiers on a dataset with chemicals and their toxicity effects in Accelrys Toxicity database and non-toxic chemicals with their performance evaluated by jackknife test, an optimal integrated classifier was selected as the proposed classifier, which provided quite high prediction accuracies and wide applications. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  8. In vitro transformation: interactions of chemical carcinogens and radiation

    International Nuclear Information System (INIS)

    DiPaolo, J.A.

    1976-01-01

    The development of reproducible quantitative in vitro procedures resulting in neoplastic transformation of mammalian cells has made possible the separation of events related to the process leading to transformation from secondary events that interfere with the early recognition of transformation. The use of chemical carcinogens on Syrian hamster cell strains results in a dose-response relation consistent with a Poisson distribution, indicating that the transformation phenomenon is inductive. In some circumstances, the joint action or interaction of chemical carcinogens with other agents results in an increased incidence of transformation. The pretreatment of Syrian hamster cells with ionizing radiation (250 R) or alkylating chemicals enhances the frequency of transformation on a cell or colony basis ordinarily obtained with known chemical carcinogens. Pretreatment with non-ionizing irradiation (uv, 254 nm) did not have a similar effect. The two types of irradiation and the alkylating agents reduced the cloning efficiency of the cells. X ray alone produced no transformation; the alkylating chemicals produced transformations infrequently, whereas uv produced a significant number of transformations. The number of transformations associated with uv is increased by pretreatment of the cells by x-irradiation. The enhancement of transformation by x-ray or x-ray-type agents appears to be independent of the type of second carcinogen used

  9. Microbiology and atmospheric processes: chemical interactions of primary biological aerosols

    Directory of Open Access Journals (Sweden)

    L. Deguillaume

    2008-07-01

    Full Text Available This paper discusses the influence of primary biological aerosols (PBA on atmospheric chemistry and vice versa through microbiological and chemical properties and processes. Several studies have shown that PBA represent a significant fraction of air particulate matter and hence affect the microstructure and water uptake of aerosol particles. Moreover, airborne micro-organisms, namely fungal spores and bacteria, can transform chemical constituents of the atmosphere by metabolic activity. Recent studies have emphasized the viability of bacteria and metabolic degradation of organic substances in cloud water. On the other hand, the viability and metabolic activity of airborne micro-organisms depend strongly on physical and chemical atmospheric parameters such as temperature, pressure, radiation, pH value and nutrient concentrations. In spite of recent advances, however, our knowledge of the microbiological and chemical interactions of PBA in the atmosphere is rather limited. Further targeted investigations combining laboratory experiments, field measurements, and modelling studies will be required to characterize the chemical feedbacks, microbiological activities at the air/snow/water interface supplied to the atmosphere.

  10. Chemical interaction of tetravalent actinides simulators and the engineering barrier

    International Nuclear Information System (INIS)

    Chain, Pablo; Alba, Maria D.; Castro, Miguel A.; Pavon, Esperanza; Mar Orta, M.

    2010-01-01

    Document available in extended abstract form only. The Deep Geological Repository (DGR) is the most internationally accepted option for the storage of high radioactive wastes. This confinement is based on the Multi-barrier Concept where the engineered barrier is a crucial safety wise. Nowadays, bentonite is accepted as the best argillaceous material in the engineered barrier of DGR. Additionally to its well-known physical role, a chemical interaction between lutetium, as actinide simulator, and the smectite has been demonstrated. The existence of a reaction mechanism, which was not previously described, based on the chemical interaction between the lanthanide cations and the orthosilicate anions of the lamellar structure has been identified. This finding has aroused the interest of the scientific community because lanthanides are used as simulators of high activity radionuclide (HAR) in agreement with the guidelines established in the bibliography. It has been observed that in conditions of moderate temperature and pressure a chemical interaction exists between smectites and rare earth elements (RE) and phases of insoluble di-silicate, RE 2 Si 2 O 7 , which would immobilize RE, are generated. It is remarkable that the reaction extends to all the set of the smectites, although they do not display the same reactivity, the saponite being the most reactive. The main isotopes present in the HLW belong to the actinide elements Np, Pu, Am and Cm, in addition to uranium generated by neutron capture during the fuel combustion process. The study of the mobilization of actinide (IV) thorough the bentonite barrier is limited because of their radioactivity. However, U(IV), Np(IV), Pu(IV) and Th(IV) can be simulated by the stable isotopes of the Zr(IV) and Hf(IV), because they exhibit ionic radius and physicochemical properties very similar to those of the actinide elements. It is the main objective of this research to investigate the chemical interaction of Zr(IV) as actinide

  11. Chemical interactions and configurational disorder in silicate melts

    Directory of Open Access Journals (Sweden)

    G. Ottonello

    2005-06-01

    Full Text Available The Thermodynamics of quasi-chemical and polymeric models are briefly reviewed. It is shown that the two classes are mutually consistent, and that opportune conversion of the existing quasi-chemical parameterization of binary interactions in MO-SiO2 joins to polymeric models may be afforded without substantial loss of precision. It is then shown that polymeric models are extremely useful in deciphering the structural and reactive properties of silicate melts and glasses. They not only allow the Lux-Flood character of the dissolved oxides to be established, but also discriminate subordinate strain energy contributions to the Gibbs free energy of mixing from the dominant chemical interaction terms. This discrimination means that important information on the short-, medium- and long-range periodicity of this class of substances can be retrieved from thermodynamic analysis. Lastly, it is suggested that an important step forward in deciphering the complex topology of the inhomogeneity ranges observed at high SiO2 content can be performed by applying SCMF theory and, particularly, Matsen-Schick spectral analysis, hitherto applied only to rubberlike materials.

  12. Pair Interaction of Catalytical Sphere Dimers in Chemically Active Media

    Directory of Open Access Journals (Sweden)

    Jing-Min Shi

    2018-01-01

    Full Text Available We study the pair dynamics of two self-propelled sphere dimers in the chemically active medium in which a cubic autocatalytic chemical reaction takes place. Concentration gradient around the dimer, created by reactions occurring on the catalytic sphere surface and responsible for the self-propulsion, is greatly influenced by the chemical activities of the environment. Consequently, the pair dynamics of two dimers mediated by the concentration field are affected. In the particle-based mesoscopic simulation, we combine molecular dynamics (MD for potential interactions and reactive multiparticle collision dynamics (RMPC for solvent flow and bulk reactions. Our results indicate three different configurations between a pair of dimers after the collision, i.e., two possible scenarios of bound dimer pairs and one unbound dimer pair. A phase diagram is sketched as a function of the rate coefficients of the environment reactions. Since the pair interactions are the basic elements of larger scale systems, we believe the results may shed light on the understanding of the collective dynamics.

  13. Thermodynamics of pellet-cladding interaction

    International Nuclear Information System (INIS)

    Kyoh, Bunkei; Fuji, Kensho

    1987-01-01

    Equilibrium thermodynamic calculations are performed on the U-Zr-Cs-I-O system that is assumed to exist in the fuel-cladding gap of light water reactor (LWR) fuel under pellet-cladding interaction (PCI) failure condition. For this purpose a computer program called SOLGASMIX-PV for the calculation of complex multi-component equilibria is used, and the results of postirradiation examination are interpreted. The analysis of the thermodynamics of the system U-Zr-Cs-I-O indicates that cesium and iodine are assumed to be released from fuel pellet into the fuel-cladding gap as CsI, therefore, the Cs/I ratio in fuel-cladding bonding zone is one. The important condensed phases in this region are UO 2 , U 3 O 8 , Cs 2 U 2 O 7 , Cs 2 U 15 O 46 , ZrO 2 and CsI, and the major gaseous species are CsI, I 2 and I. Under this situation where Cs/I ratio is one, cesium-zirconate is not present. If, however, cesium rich phase is partially present then cesium will be associated with zirconium, possibly as Cs 2 ZrO 3 . (author)

  14. Alkaline Sodium Hypochlorite Irrigant and Its Chemical Interactions

    Directory of Open Access Journals (Sweden)

    Patricia P. Wright

    2017-09-01

    Full Text Available Endodontic irrigating solutions may interact chemically with one another. This is important, because even when solutions are not admixed, they will come into contact with one another during an alternating irrigation technique, forming unwanted by-products, which may be toxic or irritant. Mixing or alternating irrigants can also reduce their ability to clean and disinfect the root canal system of teeth by changing their chemical structure with subsequent loss of the active agent, or by inducing precipitate formation in the root canal system. Precipitates occlude dental tubules, resulting in less penetration of antimicrobials and a loss of disinfection efficacy. Sodium hypochlorite is not only a very reactive oxidizing agent, but is also the most commonly used endodontic irrigant. As such, many interactions occurring between it and other irrigants, chelators and other antimicrobials, may occur. Of particular interest is the interaction between sodium hypochlorite and the chelators EDTA, citric acid and etidronate and between sodium hypochlorite and the antimicrobials chlorhexidine, alexidine, MTAD and octenisept.

  15. Chemical and Physical Interactions of Martian Surface Material

    Science.gov (United States)

    Bishop, J. L.

    1999-09-01

    A model of alteration and maturation of the Martian surface material is described involving both chemical and physical interactions. Physical processes involve distribution and mixing of the fine-grained soil particles across the surface and into the atmosphere. Chemical processes include reaction of sulfate, salt and oxidizing components of the soil particles; these agents in the soils deposited on rocks will chew through the rock minerals forming coatings and will bind surface soils together to form duricrust deposits. Formation of crystalline iron oxide/oxyhydroxide minerals through hydrothermal processes and of poorly crystalline and amorphous phases through palagonitic processes both contribute to formation of the soil particles. Chemical and physical alteration of these soil minerals and phases contribute to producing the chemical, magnetic and spectroscopic character of the Martian soil as observed by Mars Pathfinder and Mars Global Surveyor. Minerals such as maghemite/magnetite and jarosite/alunite have been observed in terrestrial volcanic soils near steam vents and may be important components of the Martian surface material. The spectroscopic properties of several terrestrial volcanic soils containing these minerals have been analyzed and evaluated in terms of the spectroscopic character of the surface material on Mars.

  16. Rationalizing the chemical space of protein-protein interaction inhibitors.

    Science.gov (United States)

    Sperandio, Olivier; Reynès, Christelle H; Camproux, Anne-Claude; Villoutreix, Bruno O

    2010-03-01

    Protein-protein interactions (PPIs) are one of the next major classes of therapeutic targets, although they are too intricate to tackle with standard approaches. This is due, in part, to the inadequacy of today's chemical libraries. However, the emergence of a growing number of experimentally validated inhibitors of PPIs (i-PPIs) allows drug designers to use chemoinformatics and machine learning technologies to unravel the nature of the chemical space covered by the reported compounds. Key characteristics of i-PPIs can then be revealed and highlight the importance of specific shapes and/or aromatic bonds, enabling the design of i-PPI-enriched focused libraries and, therefore, of cost-effective screening strategies. 2009 Elsevier Ltd. All rights reserved.

  17. Modeling turbulence structure. Chemical kinetics interaction in turbulent reactive flows

    Energy Technology Data Exchange (ETDEWEB)

    Magnussen, B F [The Norwegian Univ. of Science and Technology, Trondheim (Norway)

    1998-12-31

    The challenge of the mathematical modelling is to transfer basic physical knowledge into a mathematical formulation such that this knowledge can be utilized in computational simulation of practical problems. The combustion phenomena can be subdivided into a large set of interconnected phenomena like flow, turbulence, thermodynamics, chemical kinetics, radiation, extinction, ignition etc. Combustion in one application differs from combustion in another area by the relative importance of the various phenomena. The difference in fuel, geometry and operational conditions often causes the differences. The computer offers the opportunity to treat the individual phenomena and their interactions by models with wide operational domains. The relative magnitude of the various phenomena therefore becomes the consequence of operational conditions and geometry and need not to be specified on the basis of experience for the given problem. In mathematical modelling of turbulent combustion, one of the big challenges is how to treat the interaction between the chemical reactions and the fluid flow i.e. the turbulence. Different scientists adhere to different concepts like the laminar flamelet approach, the pdf approach of the Eddy Dissipation Concept. Each of these approaches offers different opportunities and problems. All these models are based on a sound physical basis, however none of these have general validity in taking into consideration all detail of the physical chemical interaction. The merits of the models can only be judged by their ability to reproduce physical reality and consequences of operational and geometric conditions in a combustion system. The presentation demonstrates and discusses the development of a coherent combustion technology for energy conversion and safety based on the Eddy Dissipation Concept by Magnussen. (author) 30 refs.

  18. Modeling turbulence structure. Chemical kinetics interaction in turbulent reactive flows

    Energy Technology Data Exchange (ETDEWEB)

    Magnussen, B.F. [The Norwegian Univ. of Science and Technology, Trondheim (Norway)

    1997-12-31

    The challenge of the mathematical modelling is to transfer basic physical knowledge into a mathematical formulation such that this knowledge can be utilized in computational simulation of practical problems. The combustion phenomena can be subdivided into a large set of interconnected phenomena like flow, turbulence, thermodynamics, chemical kinetics, radiation, extinction, ignition etc. Combustion in one application differs from combustion in another area by the relative importance of the various phenomena. The difference in fuel, geometry and operational conditions often causes the differences. The computer offers the opportunity to treat the individual phenomena and their interactions by models with wide operational domains. The relative magnitude of the various phenomena therefore becomes the consequence of operational conditions and geometry and need not to be specified on the basis of experience for the given problem. In mathematical modelling of turbulent combustion, one of the big challenges is how to treat the interaction between the chemical reactions and the fluid flow i.e. the turbulence. Different scientists adhere to different concepts like the laminar flamelet approach, the pdf approach of the Eddy Dissipation Concept. Each of these approaches offers different opportunities and problems. All these models are based on a sound physical basis, however none of these have general validity in taking into consideration all detail of the physical chemical interaction. The merits of the models can only be judged by their ability to reproduce physical reality and consequences of operational and geometric conditions in a combustion system. The presentation demonstrates and discusses the development of a coherent combustion technology for energy conversion and safety based on the Eddy Dissipation Concept by Magnussen. (author) 30 refs.

  19. Ions in solution basic principles of chemical interactions

    CERN Document Server

    Burgess, J

    1999-01-01

    This outline of the principles and chemical interactions in inorganic solution chemistry delivers a course module in an area of considerable complexity. Problems with solutions and tutorial hints to test comprehension have been added as a feature to check readers' understanding and assist self-study. Exercises and projects are also provided to help readers deepen and extend their knowledge and understanding. Inorganic solution chemistry is treated thoroughly Emphasis is placed upon NMR, UV-VIS, IR Raman spectroscopy, X-ray diffraction, and such topics as acid-base behaviour, stability constants and kinetics.

  20. UK experience on fuel and cladding interaction in oxide fuels

    Energy Technology Data Exchange (ETDEWEB)

    Batey, W [Dounreay Experimental Reactor Establishment, Thurso, Caithness (United Kingdom); Findlay, J R [AERE, Harwell, Didcot, Oxon (United Kingdom)

    1977-04-01

    The occurrence of fuel cladding interactions in fast reactor fuels has been observed in UK irradiations over a period of years. Chemical incompatibility between fuel and clad represents a potential source of failure and has, on this account, been studied using a variety of techniques. The principal fuel of interest to the UK for fast reactor application is mixed uranium plutonium oxide clad in stainless steel and it is in this field that the majority of work has been concentrated. Some consideration has been given to carbide fuels, because of their application as an advanced fuel. This experience is described in the accompanying paper. Several complementary initiatives have been followed to investigate the interactions in oxide fuel. The principal source of experimental information is from the experimental fuel irradiation programme in the Dounreay Fast Reactor (DFR). Supporting information has been obtained from irradiation programmes in Materials Testing Reactors (MTR). Conditions approaching those in a fast reactor are obtained and the effects of specific variables have been examined in specifically designed experiments. Out-of-reactor experiments have been used to determine the limits of fuel and cladding compatibility and also to give indications of corrosion The observations from all experiments have been examined in the light of thermo-dynamic predictions of fuel behaviour to assess the relative significance of various observations and operating conditions. An experimental programme to control and limit the interactions in oxide fuel is being followed.

  1. UK experience on fuel and cladding interaction in oxide fuels

    International Nuclear Information System (INIS)

    Batey, W.; Findlay, J.R.

    1977-01-01

    The occurrence of fuel cladding interactions in fast reactor fuels has been observed in UK irradiations over a period of years. Chemical incompatibility between fuel and clad represents a potential source of failure and has, on this account, been studied using a variety of techniques. The principal fuel of interest to the UK for fast reactor application is mixed uranium plutonium oxide clad in stainless steel and it is in this field that the majority of work has been concentrated. Some consideration has been given to carbide fuels, because of their application as an advanced fuel. This experience is described in the accompanying paper. Several complementary initiatives have been followed to investigate the interactions in oxide fuel. The principal source of experimental information is from the experimental fuel irradiation programme in the Dounreay Fast Reactor (DFR). Supporting information has been obtained from irradiation programmes in Materials Testing Reactors (MTR). Conditions approaching those in a fast reactor are obtained and the effects of specific variables have been examined in specifically designed experiments. Out-of-reactor experiments have been used to determine the limits of fuel and cladding compatibility and also to give indications of corrosion The observations from all experiments have been examined in the light of thermo-dynamic predictions of fuel behaviour to assess the relative significance of various observations and operating conditions. An experimental programme to control and limit the interactions in oxide fuel is being followed

  2. Efficiency of interaction between various radiation and chemicals

    International Nuclear Information System (INIS)

    Kim, Jin Kyu; Song, H. S.; Kim, J. S.; Chun, K. J.; Lee, Y. K.; Lee, B. H.; Shin, H. S.; Lee, K. H.; Petin, Vladislav G.

    2002-01-01

    KAERI and INP (Poland) have been carried out parallel study and joint experiments on the major topics according to MOU about their cooperative project. Major experimental techniques were TSH assay, comet assay, and synergism assay. The research consisted of the following workscopes. 1) Application of TSH bioindicator for studying the biological efficiency of radiation, 2) Relative biological efficiency of californium-252 neutrons in the induction of gene and lethal mutations in TSH cells normal and enriched with boron compound, 3) Effect of pesticide on radiation-induced mutations in TSH cells, 4) Interaction of radiation with pesticide on DNA damage in human peripheral blood lymphocytes, 5) Radiomodifying effect of boron and gadolinium compounds in human peripheral blood lymphocytes, 6) Mathematical description of synergistic interactions, 7) General regularities of synergistic interactions, and 8) Determinant of synergistic interaction between radiation, heat and chemicals in cell killing. Both institutes have established wide variety of research techniques applicable to various radiation research through the cooperation. The results of research can make the role of fundamental basis for the better relationship between Korea and Poland

  3. Chemical Cues in Tritrophic Interaction on Biocontrol of Insect Pest

    Directory of Open Access Journals (Sweden)

    Nurindah Nurindah

    2017-03-01

    Full Text Available Tritrophic interaction among host plant-herbivore-parasitoid involves chemical cues. The infested plant by herbivores has been reacted to produce volatiles which is a cue used by the herbivore parasitoids for host location. These volatiles can be developed to enhance natural control of insect pests, especially by optimally use of parasitoids. Egg parasitoids are biocontrol agents that play an important role in natural control of herbivores. This research used a tritrophic interaction model of rice plant-brown plant hopper (BPH-egg parasitoid of BPH. Research on analysis of chemical cues in tritrophic interactions was aimed to identify volatiles that are used by the parasitoid to find its host. The volatiles that effectively affect the parasitoid orientation behavior could be developed into a parasitoid attractant. Extraction of volatiles as the egg parasitoid cues was done using soxhlet, and identification of the volatiles using Gas Chromatography-Mass Spectrometry (GC-MS. Bioassay of the volatiles on the BPH parasitoid orientation behavior was performed using Y-tube olfactometry. The volatiles that are used for host location cues by the parasitoid affect the parasitoid orientation behavior by showing the preference of the parasitoid females to the odor of volatile. Volatiles extracted from BPH-egg-infested plants and uninfested plants contain alcohol, hydrocarbon, and ester compounds. Based on the difference of the compound composition of both extractions, five compounds of long-chain hydrocarbon, both branched and unsaturated compounds are the main volatile components which caused positive orientation behavior of the egg parasitoid. The egg parasitoids showed positive behavior orientation toward the volatiles extracted from BPH-egg-infested plant. Those hydrocarbon compounds are potential materials to be developed into bio attractants of BPH egg parasitoid.

  4. Chemical dissolution of spent fuel and cladding using complexed fluoride species

    International Nuclear Information System (INIS)

    Rance, P.J.W.; Freeman, G.A.; Mishin, V.; Issoupov, V.

    2001-01-01

    The dissolution of LWR fuel cladding using two fluoride ion donors, HBF 4 and K 2 ZrF 6 , in combination with nitric acid has been investigated as a potential reprocessing head-end process suitable for chemical decladding and fuel dissolution in a single process step. Maximum zirconium concentrations in the order of 0,75 to 1 molar have been achieved and dissolution found to continue to low F:Zr ratios albeit at ever decreasing rates. Dissolution rates of un-oxidised zirconium based fuel claddings are fast, whereas oxidised materials exhibit an induction period prior to dissolution. Data is presented relating to the rates of dissolution of cladding and UO 2 fuels under various conditions. (author)

  5. Biological efficiency of interaction between various radiation and chemicals

    International Nuclear Information System (INIS)

    Kim, Jin Kyu; Yu, Dong Han; Lee, Byoung Hun; Petin, Vladislav G.; Geras'kin, Stanislav A.; Cebulska-Wasilewska, Antonina; Panek, Agnieszka; Wiechec, Anna

    2004-06-01

    This research project has been carried out jointly with INP (Poland) to develop technologies to assess the biological efficiency of interaction between radiation and chemicals. Through the cooperative project, KAERI and INP have established wide variety of bioassay techniques applicable to radiation bioscience, human monitoring, molecular epidemiology and environmental science. The joint experiment, in special, made it possible to utilize the merits of both institutes and to upgrade and verify KAERI's current technology level. All results of the cooperative research will be jointly published in high standard scientific journals listed in the Science Citation Index (SCI), which can make the role of fundamental basis for improving relationship between Korea and Poland. Research skills such as Trad-MCN assay, SCGE assay, immunohistochemical assay and molecular assay developed through joint research will be further elaborated and will be continuously used for the collaboration between two institutes

  6. Chemical interaction of fresh and saline waters with compacted bentonite

    International Nuclear Information System (INIS)

    Muurinen, A.; Lehikoinen, J.; Melamed, A.; Pitkaenen, P.

    1996-01-01

    The interaction of compacted sodium bentonite with fresh and saline ground-water simulant was studied. The parameters varied in the experiments were the compositions of the solutions and oxygen and carbon dioxide content in the surroundings. The main interests of the study were the chemical changes in the experimental solution, bentonite porewater and bentonite together with the microstructural properties of bentonite. The major processes with fresh water were the diffusion of sodium, potassium, sulphate, bicarbonate and chloride from bentonite to the solution, and the diffusion of calcium and magnesium from the solution into bentonite. The major processes in the experiments with saline water were the diffusion of the sodium, magnesium, sulphate and bicarbonate from bentonite into the solution, and the diffusion of calcium from the solution into bentonite

  7. Mechanism of Interaction between Ionizing Radiation and Chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jin Kyu; Lee, B H; Shin, H S [and others

    2008-03-15

    This research project has been carried out jointly with INP (Poland) to develop technologies for 'Mechanism of Interaction between ionizing radiation and chemicals{sup .} Several biological end-points were assessed in experimental organisms such as higher plants, rats, cell lines and yeast cells to establish proper bioassay techniques. The Tradescantia somatic cell mutation assay was carried out, and immunohistochemistry and hormone assays were done in Fisher 344 rats and cell lines to analyse the combined effect of ionizing radiation with mercury chloride. Using the common regularities of combined actions of two factors, a theoretical model was established, and applied to the thermo radiation action and synergism between two chemicals, as well. The model approach made it possible to predict the condition under which the maximum synergism could be attained. The research results were published in high standard journals and presented in the scientific conferences to verify KAERI's current technology level. The experience of collaboration can be used as a fundamental tool for multinational collaboration, and make the role of improving relationship between Korea and Poland.

  8. Mechanism of Interaction between Ionizing Radiation and Chemicals

    International Nuclear Information System (INIS)

    Kim, Jin Kyu; Lee, B. H.; Shin, H. S.

    2008-03-01

    This research project has been carried out jointly with INP (Poland) to develop technologies for 'Mechanism of Interaction between ionizing radiation and chemicals . Several biological end-points were assessed in experimental organisms such as higher plants, rats, cell lines and yeast cells to establish proper bioassay techniques. The Tradescantia somatic cell mutation assay was carried out, and immunohistochemistry and hormone assays were done in Fisher 344 rats and cell lines to analyse the combined effect of ionizing radiation with mercury chloride. Using the common regularities of combined actions of two factors, a theoretical model was established, and applied to the thermo radiation action and synergism between two chemicals, as well. The model approach made it possible to predict the condition under which the maximum synergism could be attained. The research results were published in high standard journals and presented in the scientific conferences to verify KAERI's current technology level. The experience of collaboration can be used as a fundamental tool for multinational collaboration, and make the role of improving relationship between Korea and Poland

  9. The role of van der Waals interactions in chemical reactions

    International Nuclear Information System (INIS)

    Takayanagi, Toshiyuki

    1998-01-01

    We are studying the role of van der Waals interactions in the chemical reactions from the theoretical view point, especially, a case related to the tunnel effect. The fist case that the cumulative reaction probability depends on the tunnel effect was increased by the van der waals force. This case was proved by theoretical calculation of the reaction rate constant of the reaction: Mu + F2 → MuF + F. The second case was that a van der Waals well was so deep that pseudo bound state was observed in the reaction: F + H 2 → HF + H. A van der Waals complex such as AB(v=j=0)...C was excited to the resonance state of AB(vij)...C and A...BC(v,j) by laser, than the resonance state proceeded to AB + C (predissociation) or A + BC(pre-reaction). We succeeded for the first time to calculate theoretically the pre-reaction by the real three dimentional potential curve. The pre-reaction can be observed only the case that the tunnel probability is larger than the non-adiabatic transition probability. The chemical reactions in solid were explained, too. (S.Y.)

  10. Mechanism of Interaction between Ionizing Radiation and Chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jin Kyu; Lee, B. H.; Shin, H. S. (and others)

    2008-03-15

    This research project has been carried out jointly with INP (Poland) to develop technologies for 'Mechanism of Interaction between ionizing radiation and chemicals{sup .} Several biological end-points were assessed in experimental organisms such as higher plants, rats, cell lines and yeast cells to establish proper bioassay techniques. The Tradescantia somatic cell mutation assay was carried out, and immunohistochemistry and hormone assays were done in Fisher 344 rats and cell lines to analyse the combined effect of ionizing radiation with mercury chloride. Using the common regularities of combined actions of two factors, a theoretical model was established, and applied to the thermo radiation action and synergism between two chemicals, as well. The model approach made it possible to predict the condition under which the maximum synergism could be attained. The research results were published in high standard journals and presented in the scientific conferences to verify KAERI's current technology level. The experience of collaboration can be used as a fundamental tool for multinational collaboration, and make the role of improving relationship between Korea and Poland.

  11. Chemical Evolution of Strongly Interacting Quark-Gluon Plasma

    International Nuclear Information System (INIS)

    Pan, Ying-Hua; Zhang, Wei-Ning

    2014-01-01

    At very initial stage of relativistic heavy ion collisions a wave of quark-gluon matter is produced from the break-up of the strong color electric field and then thermalizes at a short time scale (~1 fm/c). However, the quark-gluon plasma (QGP) system is far out of chemical equilibrium, especially for the heavy quarks which are supposed to reach chemical equilibrium much late. In this paper a continuing quark production picture for strongly interacting QGP system is derived, using the quark number susceptibilities and the equation of state; both of them are from the results calculated by the Wuppertal-Budapest lattice QCD collaboration. We find that the densities of light quarks increase by 75% from the temperature T=400 MeV to T=150 MeV, while the density of strange quark annihilates by 18% in the temperature region. We also offer a discussion on how this late production of quarks affects the final charge-charge correlations

  12. Benzene: a case study in parent chemical and metabolite interactions.

    Science.gov (United States)

    Medinsky, M A; Kenyon, E M; Schlosser, P M

    1995-12-28

    Benzene, an important industrial solvent, is also present in unleaded gasoline and cigarette smoke. The hematotoxic effects of benzene in humans are well documented and include aplastic anemia and pancytopenia, and acute myelogenous leukemia. A combination of metabolites (hydroquinone and phenol for example) is apparently necessary to duplicate the hematotoxic effect of benzene, perhaps due in part to the synergistic effect of phenol on myeloperoxidase-mediated oxidation of hydroquinone to the reactive metabolite benzoquinone. Since benzene and its hydroxylated metabolites (phenol, hydroquinone and catechol) are substrates for the same cytochrome P450 enzymes, competitive interactions among the metabolites are possible. In vivo data on metabolite formation by mice exposed to various benzene concentrations are consistent with competitive inhibition of phenol oxidation by benzene. In vitro studies of the metabolic oxidation of benzene, phenol and hydroquinone are consistent with the mechanism of competitive interaction among the metabolites. The dosimetry of benzene and its metabolites in the target tissue, bone marrow, depends on the balance of activation processes such as enzymatic oxidation and deactivation processes such as conjugation and excretion. Phenol, the primary benzene metabolite, can undergo both oxidation and conjugation. Thus, the potential exists for competition among various enzymes for phenol. However, zonal localization of Phase I and Phase II enzymes in various regions of the liver acinus regulates this competition. Biologically-based dosimetry models that incorporate the important determinants of benzene flux, including interactions with other chemicals, will enable prediction of target tissue doses of benzene and metabolites at low exposure concentrations relevant for humans.

  13. Quantification of the distribution of hydrogen by nuclear microprobe at the Laboratory Pierre Sue in the width of zirconium alloy fuel clad of PWR reactors; Quantification de la repartition de l'hydrogene a la microsonde nucleaire du Laboratoire Pierre Sue dans l'epaisseur de tubes de gainage du combustible des REP en alliage de zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Raepsaet, C. [CEA Saclay, Dept. de Recherche sur l' Etat Condense, les Atomes et les Molecules (DSM/DRECAM/LPS-CNRS) UMR9956, 91 - Gif sur Yvette (France); Bossis, Ph. [CEA Saclay, Dept. des Materiaux pour le Nucleaire (DEN/DANS/DMN/SEMULM2E), 91 - Gif-sur-Yvette (France); Hamon, D.; Bechade, J.L.; Brachet, J.C. [CEA Saclay, Dept. des Materiaux pour le Nucleaire (DEN/DANS/DMN/SRMALA2M), 91 - Gif-sur-Yvette (France)

    2007-07-01

    Among the analysis techniques by ions beams, the micro ERDA (Elastic Detection Analysis) is an interesting technique which allows the quantitative distribution of the hydrogen in materials. In particular, this analysis has been used for hydride zirconium alloys, with the nuclear microprobe of the Laboratory Pierre Sue. This probe allows the characterization of radioactive materials. The technique principles are recalled and then two examples are provided to illustrate the fuel clad behavior in PWR reactors. (A.L.B.)

  14. Characterization of chemical interactions during chemical mechanical polishing (CMP) of copper

    Science.gov (United States)

    Lee, Seung-Mahn

    2003-10-01

    removal rates were found to be in good agreement with the initial reaction kinetics as well as the mechanical properties of the chemically modified surface layer. In addition, the material removal model based on the micro- and nano-scale interactions, which were measured experimentally, has been developed.

  15. ;Study of secondary hydriding at high temperature in zirconium based nuclear fuel cladding tubes by coupling information from neutron radiography/tomography, electron probe micro analysis, micro elastic recoil detection analysis and laser induced breakdown spectroscopy microprobe

    Science.gov (United States)

    Brachet, Jean-Christophe; Hamon, Didier; Le Saux, Matthieu; Vandenberghe, Valérie; Toffolon-Masclet, Caroline; Rouesne, Elodie; Urvoy, Stéphane; Béchade, Jean-Luc; Raepsaet, Caroline; Lacour, Jean-Luc; Bayon, Guy; Ott, Frédéric

    2017-05-01

    This paper gives an overview of a multi-scale experimental study of the secondary hydriding phenomena that can occur in nuclear fuel cladding materials exposed to steam at high temperature (HT) after having burst (loss-of-coolant accident conditions). By coupling information from several facilities, including neutron radiography/tomography, electron probe micro analysis, micro elastic recoil detection analysis and micro laser induced breakdown spectroscopy, it was possible to map quantitatively, at different scales, the distribution of oxygen and hydrogen within M5™ clad segments having experienced ballooning and burst at HT followed by steam oxidation at 1100 and 1200 °C and final direct water quenching down to room temperature. The results were very reproducible and it was confirmed that internal oxidation and secondary hydriding at HT of a cladding after burst can lead to strong axial and azimuthal gradients of hydrogen and oxygen concentrations, reaching 3000-4000 wt ppm and 1.0-1.2 wt% respectively within the β phase layer for the investigated conditions. Consistent with thermodynamic and kinetics considerations, oxygen diffusion into the prior-β layer was enhanced in the regions highly enriched in hydrogen, where the α(O) phase layer is thinner and the prior-β layer thicker. Finally the induced post-quenching hardening of the prior-β layer was mainly related to the local oxygen enrichment. Hardening directly induced by hydrogen was much less significant.

  16. Identification of new candidate drugs for lung cancer using chemical-chemical interactions, chemical-protein interactions and a K-means clustering algorithm.

    Science.gov (United States)

    Lu, Jing; Chen, Lei; Yin, Jun; Huang, Tao; Bi, Yi; Kong, Xiangyin; Zheng, Mingyue; Cai, Yu-Dong

    2016-01-01

    Lung cancer, characterized by uncontrolled cell growth in the lung tissue, is the leading cause of global cancer deaths. Until now, effective treatment of this disease is limited. Many synthetic compounds have emerged with the advancement of combinatorial chemistry. Identification of effective lung cancer candidate drug compounds among them is a great challenge. Thus, it is necessary to build effective computational methods that can assist us in selecting for potential lung cancer drug compounds. In this study, a computational method was proposed to tackle this problem. The chemical-chemical interactions and chemical-protein interactions were utilized to select candidate drug compounds that have close associations with approved lung cancer drugs and lung cancer-related genes. A permutation test and K-means clustering algorithm were employed to exclude candidate drugs with low possibilities to treat lung cancer. The final analysis suggests that the remaining drug compounds have potential anti-lung cancer activities and most of them have structural dissimilarity with approved drugs for lung cancer.

  17. Understanding Molecular Interactions within Chemically Selective Layered Polymer Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Gary J. Blanchard

    2009-06-30

    This work focuses on two broad issues. These are (1) the molecular origin of the chemical selectivity achieved with ultrathin polymer multilayers, and (2) how the viscoelastic properties of the polymer layers are affected by exposure to solvent and analytes. These issues are inter-related, and to understand them we need to design experiments that probe both the energetic and kinetic aspects of interfacial adsorption processes. This project focuses on controling the chemical structure, thickness, morphology and sequential ordering of polymer layers bound to interfaces using maleimide-vinyl ether and closely related alternating copolymerization chemistry and efficient covalent cross-linking reactions that allow for layer-by-layer polymer deposition. This chemistry has been developed during the funding cycle of this Grant. We have measure the equilibrium constants for interactions between specific layers within the polymer interfaces and size-controlled, surface-functionalized gold nanoparticles. The ability to control both size and functionality of gold nanoparticle model analytes allows us to evaluate the average “pore size” that characterizes our polymer films. We have measured the “bulk” viscosity and shear modulus of the ultrathin polymer films as a function of solvent overlayer identity using quartz crystal microbalance complex impedance measurements. We have measured microscopic viscosity at specific locations within the layered polymer interfaces with time-resolved fluorescence lifetime and depolarization techniques. We combine polymer, cross-linking and nanoparticle synthetic expertise with a host of characterization techniques, including QCM gravimetry and complex impedance analysis, steady state and time-resolved spectroscopies.

  18. ToxCast Data Expands Universe of Chemical-Gene Interactions (SOT)

    Science.gov (United States)

    Characterizing the effects of chemicals in biological systems is often summarized by chemical-gene interactions, which have sparse coverage in literature. The ToxCast chemical screening program has produced bioactivity data for nearly 2000 chemicals and over 450 gene targets. Thi...

  19. Interactive Chemical Safety for Sustainablity Toxicity Forecaster Dashboard

    Data.gov (United States)

    U.S. Environmental Protection Agency — EPA researchers have been using advances in computational toxicology to address lack of data on the thousands of chemicals. EPA released chemical data on 1,800...

  20. Interactions between chemical and non-chemical stressors and inherent characteristics to elucidate children’s mental health disparities

    Science.gov (United States)

    Children may be more vulnerable to the combined interactions of chemical and non-chemical stressors from their built, natural, and social environments when compared to adults. When children are exposed to cigarette smoke, bisphenol A (BPA), or organophosphate pesticides, they are...

  1. Human Metabolism and Interactions of Deployment-Related Chemicals

    National Research Council Canada - National Science Library

    Hodgson, Ernest; Brimfield, Alan A; Goldstein, Joyce E; Rose, Randy L; Wallace, Andrew D

    2008-01-01

    .... The metabolism of chlorpyrifos, DEET, permethrin, pyridostigmine bromide, sulfur mustard, naphthalene and nonane as well as a number of their metabolites and related chemicals was investigated...

  2. FY17 Progress in Modeling of Lanthanide Transport in Metallic Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Unal, Cetin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Matthews, Christopher [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-09-19

    A critical review of fuel-clad-chemical interactions along with modelling requirements is published. The mechanism of lanthanide transport is studied experimentally (NEUP collaboration) and using simulations and initial results are published in Refs.

  3. Modelling the gas transport and chemical processes related to clad oxidation and hydriding

    Energy Technology Data Exchange (ETDEWEB)

    Montgomery, R O; Rashid, Y R [ANATECH Research Corp., San Diego, CA (United States)

    1997-08-01

    Models are developed for the gas transport and chemical processes associated with the ingress of steam into a LWR fuel rod through a small defect. These models are used to determine the cladding regions in a defective fuel rod which are susceptible to massive hydriding and the creation of sunburst hydrides. The brittle nature of zirconium hydrides (ZrH{sub 2}) in these susceptible regions produces weak spots in the cladding which can act as initiation sites for cladding cracks under certain cladding stress conditions caused by fuel cladding mechanical interaction. The modeling of the axial gas transport is based on gaseous bimolar diffusion coupled with convective mass transport using the mass continuity equation. Hydrogen production is considered from steam reaction with cladding inner surface, fission products and internal components. Eventually, the production of hydrogen and its diffusion along the length results in high hydrogen concentration in locations remote from the primary defect. Under these conditions, the hydrogen can attack the cladding inner surface and breakdown the protective ZrO{sub 2} layer locally, initiating massive localized hydriding leading to sunburst hydride. The developed hydrogen evolution model is combined with a general purpose fuel behavior program to integrate the effects of power and burnup into the hydriding kinetics. Only in this manner can the behavior of a defected fuel rod be modeled to determine the conditions the result in fuel rod degradation. (author). 14 refs, 6 figs.

  4. Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

    Science.gov (United States)

    Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.

    2018-03-01

    Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.

  5. Chemical ecology of interactions between human skin microbiota and mosquitoes

    NARCIS (Netherlands)

    Verhulst, N.O.; Takken, W.; Dicke, M.; Schraa, G.; Smallegange, R.C.

    2010-01-01

    Microbiota on the human skin plays a major role in body odour production. The human microbial and chemical signature displays a qualitative and quantitative correlation. Genes may influence the chemical signature by shaping the composition of the microbiota. Recent studies on human skin microbiota,

  6. Prediction of Effective Drug Combinations by Chemical Interaction, Protein Interaction and Target Enrichment of KEGG Pathways

    Directory of Open Access Journals (Sweden)

    Lei Chen

    2013-01-01

    Full Text Available Drug combinatorial therapy could be more effective in treating some complex diseases than single agents due to better efficacy and reduced side effects. Although some drug combinations are being used, their underlying molecular mechanisms are still poorly understood. Therefore, it is of great interest to deduce a novel drug combination by their molecular mechanisms in a robust and rigorous way. This paper attempts to predict effective drug combinations by a combined consideration of: (1 chemical interaction between drugs, (2 protein interactions between drugs’ targets, and (3 target enrichment of KEGG pathways. A benchmark dataset was constructed, consisting of 121 confirmed effective combinations and 605 random combinations. Each drug combination was represented by 465 features derived from the aforementioned three properties. Some feature selection techniques, including Minimum Redundancy Maximum Relevance and Incremental Feature Selection, were adopted to extract the key features. Random forest model was built with its performance evaluated by 5-fold cross-validation. As a result, 55 key features providing the best prediction result were selected. These important features may help to gain insights into the mechanisms of drug combinations, and the proposed prediction model could become a useful tool for screening possible drug combinations.

  7. Interactions between chemical and climate stressors: A role for mechanistic toxicology in assessing climate change risks

    Science.gov (United States)

    Hooper, Michael J.; Ankley, Gerald T.; Cristol, Daniel A.; Maryoung, Lindley A.; Noyes, Pamela D.; Pinkerton, Kent E.

    2013-01-01

    Incorporation of global climate change (GCC) effects into assessments of chemical risk and injury requires integrated examinations of chemical and nonchemical stressors. Environmental variables altered by GCC (temperature, precipitation, salinity, pH) can influence the toxicokinetics of chemical absorption, distribution, metabolism, and excretion as well as toxicodynamic interactions between chemicals and target molecules. In addition, GCC challenges processes critical for coping with the external environment (water balance, thermoregulation, nutrition, and the immune, endocrine, and neurological systems), leaving organisms sensitive to even slight perturbations by chemicals when pushed to the limits of their physiological tolerance range. In simplest terms, GCC can make organisms more sensitive to chemical stressors, while alternatively, exposure to chemicals can make organisms more sensitive to GCC stressors. One challenge is to identify potential interactions between nonchemical and chemical stressors affecting key physiological processes in an organism. We employed adverse outcome pathways, constructs depicting linkages between mechanism-based molecular initiating events and impacts on individuals or populations, to assess how chemical- and climate-specific variables interact to lead to adverse outcomes. Case examples are presented for prospective scenarios, hypothesizing potential chemical–GCC interactions, and retrospective scenarios, proposing mechanisms for demonstrated chemical–climate interactions in natural populations. Understanding GCC interactions along adverse outcome pathways facilitates extrapolation between species or other levels of organization, development of hypotheses and focal areas for further research, and improved inputs for risk and resource injury assessments.

  8. Predicting the sensitivity of populations from individual exposure to chemicals: the role of ecological interactions.

    Science.gov (United States)

    Gabsi, Faten; Schäffer, Andreas; Preuss, Thomas G

    2014-07-01

    Population responses to chemical stress exposure are influenced by nonchemical, environmental processes such as species interactions. A realistic quantification of chemical toxicity to populations calls for the use of methodologies that integrate these multiple stress effects. The authors used an individual-based model for Daphnia magna as a virtual laboratory to determine the influence of ecological interactions on population sensitivity to chemicals with different modes of action on individuals. In the model, hypothetical chemical toxicity targeted different vital individual-level processes: reproduction, survival, feeding rate, or somatic growth rate. As for species interactions, predatory and competition effects on daphnid populations were implemented following a worst-case approach. The population abundance was simulated at different food levels and exposure scenarios, assuming exposure to chemical stress solely or in combination with either competition or predation. The chemical always targeted one vital endpoint. Equal toxicity-inhibition levels differently affected the population abundance with and without species interactions. In addition, population responses to chemicals were highly sensitive to the environmental stressor (predator or competitor) and to the food level. Results show that population resilience cannot be attributed to chemical stress only. Accounting for the relevant ecological interactions would reduce uncertainties when extrapolating effects of chemicals from individuals to the population level. Validated population models should be used for a more realistic risk assessment of chemicals. © 2014 SETAC.

  9. Chemical Interactions of Hydraulic Fracturing Biocides with Natural Pyrite

    Science.gov (United States)

    Consolazio, Nizette A.

    In conjunction with horizontal drilling, hydraulic fracturing or fracking has enabled the recovery of natural gas from low permeable shale formations. In addition to water, these fracking fluids employ proppants and up to 38 different chemical additives to improve the efficiency of the process. One important class of additives used in hydraulic fracturing is biocides. When applied appropriately, they limit the growth of harmful microorganisms within the well, saving energy producers 4.5 billion dollars each year. However, biocides or their harmful daughter products may return to the surface in produced water, which must then be appropriately stored, treated and disposed of. Little is known about the effect of mineral-fluid interactions on the fate of the biocides employed in hydraulic fracturing. In this study, we employed laboratory experiments to determine changes in the persistence and products of these biocides under controlled environments. While many minerals are present in shale formations, pyrite, FeS2(s) is particularly interesting because of its prevalence and reactivity. The FeII groups on the face of pyrite may be oxidized to form FeIII phases. Both of these surfaces have been shown to be reactive with organic compounds. Chlorinated compounds undergo redox reactions at the pyrite-fluid interface, and sulfur-containing compounds undergo exceptionally strong sorption to both pristine and oxidized pyrite. This mineral may significantly influence the degradation of biocides in the Marcellus Shale. Thus, the overall goal of this study was to understand the effect of pyrite on biocide reactivity in hydraulic fracturing, focusing on the influence of pyrite on specific functional groups. The first specific objective was to demonstrate the effect of pyrite and pyrite reaction products on the degradation of the bromine-containing biocide, DBNPA. On the addition of pyrite to DBNPA, degradation rates of the doubly brominated compound were found to increase

  10. Behavior and failure of uniformly hydrided Zircaloy-4 fuel claddings between 25 C and 480 C under various stress states, including RIA loading conditions

    International Nuclear Information System (INIS)

    Le Saux, M.; Carassou, S.; Averty, X.; Le Saux, M.; Besson, J.; Poussard, C.

    2010-01-01

    The anisotropic plastic behavior and the fracture of as-received and hydrided Cold-Worked Stress Relieved Zircaloy-4 cladding tubes are investigated under thermal-mechanical loading conditions representative of Pellet-Clad Mechanical Interaction during Reactivity Initiated Accidents in Pressurized Water Reactors. In order to study the combined effects of temperature, hydrogen content, loading direction and stress state, Axial Tensile, Hoop Tensile, Expansion Due to Compression and hoop Plane Strain Tensile tests are performed at room temperature, 350 C and 480 C on the material containing various hydrogen contents up to 1200 wt. ppm (hydrides are circumferential and homogeneously distributed). These tests are combined with digital image correlation and metallographic and fractographic observations at different scales. The flow stress of the material decreases with increasing temperature. The material is either strengthened or softened by hydrogen depending on temperature and hydrogen content. Plastic anisotropy depends on temperature but not on hydrogen content. The ductility of the material decreases with increasing hydrogen content at room temperature due to damage nucleation by hydride cracking. The plastic strain that leads to hydride fracture at room temperature decreases with increasing hydrogen content. The influence of stress triaxiality on hydride cracking is negligible in the studied range. The influence of hydrogen on material ductility is negligible at 350 C and 480 C since hydrides do not crack at these temperatures. The ductility of the material increases with increasing temperature. The evolution of material ductility is associated with a change in both the macroscopic fracture mode of the specimens and the microscopic failure mechanisms. (authors)

  11. Non-Chemical Distant Cellular Interactions as a potential confounder of Cell Biology Experiments

    Directory of Open Access Journals (Sweden)

    Ashkan eFarhadi

    2014-10-01

    Full Text Available Distant cells can communicate with each other through a variety of methods. Two such methods involve electrical and/or chemical mechanisms. Non-chemical, distant cellular interactions may be another method of communication that cells can use to modify the behavior of other cells that are mechanically separated. Moreover, non-chemical, distant cellular interactions may explain some cases of confounding effects in Cell Biology experiments. In this article, we review non-chemical, distant cellular interactions studies to try to shed light on the mechanisms in this highly unconventional field of cell biology. Despite the existence of several theories that try to explain the mechanism of non-chemical, distant cellular interactions, this phenomenon is still speculative. Among candidate mechanisms, electromagnetic waves appear to have the most experimental support. In this brief article, we try to answer a few key questions that may further clarify this mechanism.

  12. Chemical-potential flow equations for graphene with Coulomb interactions

    Science.gov (United States)

    Fräßdorf, Christian; Mosig, Johannes E. M.

    2018-06-01

    We calculate the chemical potential dependence of the renormalized Fermi velocity and static dielectric function for Dirac quasiparticles in graphene nonperturbatively at finite temperature. By reinterpreting the chemical potential as a flow parameter in the spirit of the functional renormalization group (fRG) we obtain a set of flow equations, which describe the change of these functions upon varying the chemical potential. In contrast to the fRG the initial condition of the flow is nontrivial and has to be calculated separately. Our results are consistent with a charge carrier-independent Fermi velocity v (k ) for small densities n ≲k2/π , supporting the comparison of the zero-density fRG calculation of Bauer et al. [Phys. Rev. B 92, 121409 (2015), 10.1103/PhysRevB.92.121409], with the experiment of Elias et al. [Nat. Phys. 7, 701 (2011), 10.1038/nphys2049].

  13. Chemical signaling involved in plant-microbe interactions.

    Science.gov (United States)

    Chagas, Fernanda Oliveira; Pessotti, Rita de Cassia; Caraballo-Rodríguez, Andrés Mauricio; Pupo, Mônica Tallarico

    2018-03-05

    Microorganisms are found everywhere, and they are closely associated with plants. Because the establishment of any plant-microbe association involves chemical communication, understanding crosstalk processes is fundamental to defining the type of relationship. Although several metabolites from plants and microbes have been fully characterized, their roles in the chemical interplay between these partners are not well understood in most cases, and they require further investigation. In this review, we describe different plant-microbe associations from colonization to microbial establishment processes in plants along with future prospects, including agricultural benefits.

  14. Botanical insecticides inspired by plant-herbivore chemical interactions.

    Science.gov (United States)

    Miresmailli, Saber; Isman, Murray B

    2014-01-01

    Plants have evolved a plethora of secondary chemicals to protect themselves against herbivores and pathogens, some of which have been used historically for pest management. The extraction methods used by industry render many phytochemicals ineffective as insecticides despite their bioactivity in the natural context. In this review, we examine how plants use their secondary chemicals in nature and compare this with how they are used as insecticides to understand why the efficacy of botanical insecticides can be so variable. If the commercial production of botanical insecticides is to become a viable pest management option, factors such as production cost, resource availability, and extraction and formulation techniques need be considered alongside innovative application technologies to ensure consistent efficacy of botanical insecticides. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. “Study of secondary hydriding at high temperature in zirconium based nuclear fuel cladding tubes by coupling information from neutron radiography/tomography, electron probe micro analysis, micro elastic recoil detection analysis and laser induced breakdown spectroscopy microprobe

    Energy Technology Data Exchange (ETDEWEB)

    Brachet, Jean-Christophe, E-mail: jean-christophe.brachet@cea.fr [DEN-Service de Recherches Métallurgiques Appliquées (SRMA), CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); Hamon, Didier; Le Saux, Matthieu [DEN-Service de Recherches Métallurgiques Appliquées (SRMA), CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); Vandenberghe, Valérie [DEN-Service de Recherches Métallurgiques Appliquées (SRMA), CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); DEN-Service d’Etudes Mécaniques et Thermiques (SEMT), CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); Toffolon-Masclet, Caroline; Rouesne, Elodie; Urvoy, Stéphane [DEN-Service de Recherches Métallurgiques Appliquées (SRMA), CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); Béchade, Jean-Luc [DEN-Service de Recherches Métallurgiques Appliquées (SRMA), CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); DEN-Service de Recherches de Métallurgie Physique (SRMP), CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); Raepsaet, Caroline [LEEL, CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette (France); NIMBE, CEA, CNRS, Université Paris-Saclay, 91191 Gif-sur-Yvette Cedex (France); and others

    2017-05-15

    This paper gives an overview of a multi-scale experimental study of the secondary hydriding phenomena that can occur in nuclear fuel cladding materials exposed to steam at high temperature (HT) after having burst (loss-of-coolant accident conditions). By coupling information from several facilities, including neutron radiography/tomography, electron probe micro analysis, micro elastic recoil detection analysis and micro laser induced breakdown spectroscopy, it was possible to map quantitatively, at different scales, the distribution of oxygen and hydrogen within M5™ clad segments having experienced ballooning and burst at HT followed by steam oxidation at 1100 and 1200 °C and final direct water quenching down to room temperature. The results were very reproducible and it was confirmed that internal oxidation and secondary hydriding at HT of a cladding after burst can lead to strong axial and azimuthal gradients of hydrogen and oxygen concentrations, reaching 3000–4000 wt ppm and 1.0–1.2 wt% respectively within the β phase layer for the investigated conditions. Consistent with thermodynamic and kinetics considerations, oxygen diffusion into the prior-β layer was enhanced in the regions highly enriched in hydrogen, where the α(O) phase layer is thinner and the prior-β layer thicker. Finally the induced post-quenching hardening of the prior-β layer was mainly related to the local oxygen enrichment. Hardening directly induced by hydrogen was much less significant. - Highlights: •More than 50% of the gaseous hydrogen produced by the inner clad oxidation absorbed and trapped into prior-β layer. •High hydrogen and oxygen local concentrations, up to 3000–4000 wt. ppm and 1.0–1.2 wt.% respectively, within the β phase. •Enhanced oxygen diffusion into hydrogen enriched prior-β layer, with locally thinner α(O) and thicker prior-β layers. •Post-quenching hardening of the prior-β structure mainly related to the (local) oxygen concentration.

  16. Isotope effects in interstellar molecules by chemical hyperfine interaction

    International Nuclear Information System (INIS)

    Haberkorn, R.; Michel-Beyerle, M.E.

    1977-01-01

    If free radicals recombine on grain surfaces, not only the different masses of isotopes but also their differing nuclear spin moments (e.g. 12 C/ 13 C, 14 N/ 15 N, 17 O/ 18 O) may imply variations in the recombination probability due to hyperfine interaction. This mechanism has not been accounted for so far. (orig.) [de

  17. Systematic Proteomic Approach to Characterize the Impacts of Chemical Interactions on Protein and Cytotoxicity Responses to Metal Mixture Exposures

    Science.gov (United States)

    Chemical interactions have posed a big challenge in toxicity characterization and human health risk assessment of environmental mixtures. To characterize the impacts of chemical interactions on protein and cytotoxicity responses to environmental mixtures, we established a systems...

  18. BWR fuel clad behaviour following LOCA

    International Nuclear Information System (INIS)

    Chaudhry, S.M.; Vyas, K.N.; Dinesh Babu, R.

    1996-01-01

    Flow and pressure through the fuel coolant channel reduce rapidly following a loss of coolant accident. Due to stored energy and decay heat, fuel and cladding temperatures rise rapidly. Increase in clad temperature causes deterioration of mechanical properties of clad material. This coupled with increase of pressure inside the cladding due to accumulation of fission gases and de-pressurization of coolant causes the cladding to balloon. This phenomenon is important as it can reduce or completely block the flow passages in a fuel assembly causing reduction of emergency coolant flow. Behaviour of a BWR clad is analyzed in a design basis LOCA. Fuel and clad temperatures following a LOCA are calculated. Fission gas release and pressure is estimated using well established models. An elasto-plastic analysis of clad tube is carried out to determine plastic strains and corresponding deformations using finite-element technique. Analysis of neighbouring pins gives an estimate of flow areas available for emergency coolant flow. (author). 7 refs, 6 figs, 3 tabs

  19. Fuel cladding mechanical properties for transient analysis

    International Nuclear Information System (INIS)

    Johnson, G.D.; Hunter, C.W.; Hanson, J.E.

    1976-01-01

    Out-of-pile simulated transient tests have been conducted on irradiated fast-reactor fuel pin cladding specimens at heating rates of 10 0 F/s (5.6 0 K/s) and 200 0 F/s (111 0 K/s) to generate mechanical property information for use in describing cladding behavior during off-normal events. Mechanical property data were then analyzed, applying the Larson-Miller Parameter to the effects of heating rate and neutron fluence. Data from simulated transient tests on TREAT-tested fuel pins demonstrate that Plant Protective System termination of 3$/s transients prevents significant damage to cladding. The breach opening produced during simulated transient testing is shown to decrease in size with increasing neutron fluence

  20. Nuclear-powered pacemaker fuel cladding study

    International Nuclear Information System (INIS)

    Shoup, R.L.

    1976-07-01

    The fabrication of fuel capsules with refractory metal and alloy clads used in nuclear-powered cardiac pacemakers precludes the expedient dissolution of the clad in inorganic acid solutions. An experiment to measure penetration rates of acids on commonly used fuel pellet clads indicated that it is not impossible, but that it would be very difficult to dissolve the multiple cladding. This work was performed because of a suggestion that a 238 PuO 2 -powered pacemaker could be transformed into a terrorism weapon

  1. Degradation resistant fuel cladding materials and manufacturing

    Energy Technology Data Exchange (ETDEWEB)

    Marlowe, M.O. [GE Nuclear Energy, Wilmington, NC (United States); Montes, J. [ENUSA, Madrid (Spain)

    1995-12-31

    GE has been producing the degradation resistant cladding (zirconium liner and zircaloy-2 surface larger) described here with the cooperation of its primary zirconium vendors since the beginning of 1994. Approximately 24 fuel reloads, or in excess of 250,000 fuel rods, have been produced using this material by GE. GE has also produced tubing for one reload of fuel that is currently being produced by its technology affiliate ENUSA. (orig./HP)

  2. Spent fuel cladding containment credit test

    International Nuclear Information System (INIS)

    Wilson, C.N.

    1983-01-01

    As an initial step in addressing the effectiveness of breached cladding as a barrier to radionuclide release from the repository during the post-containment period, preliminary scoping tests have been initiated which compare radionuclide releases from spent fuel specimens with artificially induced cladding defects of various severities. The artificially induced defects are all more severe than the typical in-reactor type breaches which are expected to be the principal type of breach entering the repository for terminal storage. These preliminary scoping tests being conducted by Westinghouse Hanford Company for the Lawrence Livermore National Laboratory Waste Package Development Program in support of the Tuff repository project at the Nevada Test Site are described. Also included in this presentation are selected initial results from these tests. 22 figures

  3. PCI resistant light water reactor fuel cladding

    International Nuclear Information System (INIS)

    Foster, J.P.; Sabol, G.P.

    1988-01-01

    A tubular nuclear fuel element cladding tube is described, the fuel element cladding tube forming the entire fuel element cladding and consisting of: a single continuous wall, the single continuous wall consisting of a single alloy selected from the group consisting of zirconium base alloys, A, B, C, D, and E; the single continuous wall characterized by a cold worked and stress relieved microstructure throughout; wherein the zirconium base alloy A contains 0.2 - 0.6 w/o Sn, 0.03 - 0.11 w/o sum of Fe and Cr, section 600 ppm O and section 1500 ppm total impurities; the zirconium base alloy B contains 0.1 - 0.6 w/oo Sn, 0.04 - 0.24 w/o Fe, 0.05 - 0.15 w/o Cr, section 0.08 w/o Ni, section 600 ppm O and section 1500 ppm total impurities; the zirconium base alloy C contains 1.2 - 1.7 w/o Sn, 0.04 - 0.24 w/o Fe, 0.05 - 0.15 w/o Cr, section 0.08 w/o Ni, section 600 ppm O, and section 1500 ppm total impurities; the zirconium base alloy D contains 0.15 - 0.6 w/o Sn, 0.15 - 0.5 w/o Fe, section 600 ppm O, and section 1500 ppm total impurities; and the zirconium base alloy E contains 0.4 - 0.6 w/o Sn, 0.1 - 0.3 w/o Fe, 0.03 - 0.07 w/o Ni, section 600 ppm O, and section 1500 ppm total impurities

  4. Material Selection for Accident Tolerant Fuel Cladding

    International Nuclear Information System (INIS)

    Pint, Bruce A.; Terrani, Kurt A.; Yamamoto, Yukinori; Snead, Lance Lewis

    2015-01-01

    Alternative cladding materials to Zr-based alloys are being investigated for accident tolerance, which can be defined as > 100X improvement (compared to Zr-based alloys) in oxidation resistance to steam or steam-H 2 environments at ≥1473 K (1200°C) for short times. After reviewing a wide range of candidates, current steam oxidation testing is being conducted on Mo, MAX phases and FeCrAl alloys. Recently reported low mass losses for Mo in steam at 800°C could not be reproduced. Both FeCrAl and MAX phase Ti 2 AlC form a protective alumina scale in steam. However, commercial Ti 2 AlC that was not single phase, formed a much thicker oxide at 1200°C in steam and significant TiO 2 , and therefore Ti 2 AlC may be challenging to form as a cladding or a coating. Alloy development for FeCrAl is seeking to maintain its steam oxidation resistance to 1475°C, while reducing its Cr content to minimize susceptibility to irradiation-assisted α' formation. The composition effects and critical limits to retaining protective scale formation at > 1400°C are still being evaluated.

  5. Material Selection for Accident Tolerant Fuel Cladding

    Energy Technology Data Exchange (ETDEWEB)

    Pint, Bruce A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Terrani, Kurt A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yamamoto, Yukinori [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Snead, Lance Lewis [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-01-01

    Alternative cladding materials to Zr-based alloys are being investigated for accident tolerance, which can be defined as > 100X improvement (compared to Zr-based alloys) in oxidation resistance to steam or steam-H2 environments at ≥ 1200°C for short times. After reviewing a wide range of candidates, current steam oxidation testing is being conducted on Mo, MAX phases and FeCrAl alloys. Recently reported low mass losses for Mo in steam at 800°C could not be reproduced. Both FeCrAl and MAX phase Ti2AlC form a protective alumina scale in steam. However, commercial Ti2AlC that was not single phase, formed a much thicker oxide at 1200°C in steam and significant TiO2, and therefore Ti2AlC may be challenging to form as a cladding or a coating. Alloy development for FeCrAl is seeking to maintain its steam oxidation resistance to 1475°C, while reducing its Cr content to minimize susceptibility to irradiation-assisted α´ formation. The composition effects and critical limits to retaining protective scale formation at > 1400°C are still being evaluated.

  6. Chemical Potential Dependence of the Dressed-Quark Propagator from an Effective Quark-Quark Interaction

    Institute of Scientific and Technical Information of China (English)

    ZONG Hong-Shi; PING Jia-Lun; SUN Wei-Min; CHANG Chao-Hsi; WANG Fan

    2002-01-01

    We exhibit a method for obtaining the low chemical potential dependence of the dressed quark propagatorfrom an effective quark-quark interaction model. Within this approach we explore the chemical potential dependenceof the dressed-quark propagator, which provides a means of determining the behavior of the chiral and deconfinementorder parameters. A comparison with the results of previous researches is given.

  7. Fracture of Zircaloy cladding by interactions with uranium dioxide pellets in LWR fuel rods. Technical report 10

    International Nuclear Information System (INIS)

    Smith, E.; Ranjan, G.V.; Cipolla, R.C.

    1976-11-01

    Power reactor fuel rod failures can be caused by uranium dioxide fuel pellet-Zircaloy cladding interactions. The report summarizes the current position attained in a detailed theoretical study of Zircaloy cladding fracture caused by the growth of stress corrosion cracks which form near fuel pellet cracks as a consequence of a power increase after a sufficiently high burn-up. It is shown that stress corrosion crack growth in irradiated Zircaloy must be able to proceed at very low stress intensifications if uniform friction effects are operative at the fuel-cladding interface, when the interfacial friction coefficient is less than unity, when a symmetric distribution of fuel cracks exists, and when symmetric interfacial slippage occurs (i.e., ''uniform'' conditions). Otherwise, the observed fuel rod failures must be due to departures from ''uniform'' conditions, and a very high interfacial friction coefficient and particularly fuel-cladding bonding, are means of providing sufficient stess intensification at a cladding crack tip to explain the occurrence of cladding fractures. The results of the investigation focus attention on the necessity for reliable experimental data on the stress corrosion crack growth behavior of irradiated Zircaloy, and for further investigations on the correlation between local fuel-cladding bonding and stress corrosion cracking

  8. Biological Effects of Interaction between Radiation and Chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Hyun, Kyung Man; Han, Min; Kim, Jin Kyu [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Nili, Mohammad [Dawnesh Radiation Research Institute, Barcelona (Spain)

    2009-05-15

    The organisms are exposed to natural radiations from cosmic or terrestrial origins. Radiation is known to cause cell death, mainly due to its ability to produce reactive oxygen species in cells. The combined action between radiation and various chemicals is a distinguishing feature of modern life. Mercury chloride is a widespread environmental pollutant that is known to have toxic effects. Synergistic effects of radiation and HgCl{sub 2} on human cells was previously reported. NAC is a well-known sulfhydryl-containing antioxidant whose role in radioprotection has been explored in several studies. There has been an increasing interest of studying the role of NAC as a radioprotective substance. The present study was designed not only to assess the synergistic effects between radiation and HgCl{sub 2}, but also to investigate protective effects of NAC on cells.

  9. Nuclear hyperfine interactions and chemical bonding in high TC superconductors

    International Nuclear Information System (INIS)

    Danon, J.

    1987-01-01

    Nuclear quadrupole resonances of Cu 63 and Fe 57 Moessbauer spectroscopy of the high temperature superconductor YBa 2 Cu 3 O 7-γ e described together with synchrotron radiation studies of the copper oxidation states in this material. The Moessbauer spectra of 57 Fe in the two distinct crystallographic sites of the Cu atoms in YBa 2 Cu 3 O 7-γ are very similar from the quadrupole coupling point of view although exhibiting markedly different values for the isomer shift. The role of oxygen vacancies in the hyperfine interactions is discussed. (author) [pt

  10. Chemical interaction silicon nitride ceramics and iron alloys

    Directory of Open Access Journals (Sweden)

    Oliveira, F. J.

    2000-12-01

    Full Text Available Metal/ceramic diffusion experiments are helpful to study bonding mechanisms or the effect of metal composition on the chemical wear of ceramic cutting tools. The reaction kinetics of Fe alloys/Si3 N4 ceramic diffusion couples was investigated in the temperature range 1050ºC-1250ºC, for 0.5h to 80h, under inert atmosphere. Optical microscopy, SEM and EPMA were carried out in cross sections of the reacted pairs. Si3N4 decomposes into Si and N that dissolve and diffuse through the metal. Both the diffusion zone on the metal side and the reaction zone on the ceramic side obey parabolic growth laws of time, with activation energies in the range Q=310-460kJmol-1. The amount of dissolved Si, the length of the diffusion zone and thus the reactivity of the ceramic increase as the alloy carbon content decreases. Due to Si accumulation, the α-Fe solid solution is stabilised at the reaction temperature and a steep decrease in the Si concentration is observed beyond the diffusion zone. The reinforcement of the Si3N4 composites with A12O3 platelets enhances the chemical resistance of the ceramic due to the inertness of this oxide and to the partial crystallisation of the intergranular phase. Other dispersoids such as HfN, BN and TiN do not improve the chemical resistance of the matrix by iron attack.

    Los experimentos de difusión metal/cerámica permiten estudiar mecanismos de unión y analizar el efecto de la composición del metal en el desgaste químico de herramientas de corte cerámicas. En este trabajo se investigó la cinética de reacción en pares de difusión aleaciones de Fe/Si3N4 a temperaturas entre 1050ºC-1250ºC, tiempos entre 0.5h a 80h, en atmósfera inerte. Las secciones transversales de los pares de difusión se analizaron mediante microscopía óptica, SEM y microsonda electrónica. El Si3N4 se descompone en Si y N que se disuelven y difunden en el metal. Tanto la zona de difusión en el metal como la zona de reacción en la cer

  11. Interaction of chemical cues from fish tissues and organophosphorous pesticides on Ceriodaphnia dubia survival

    International Nuclear Information System (INIS)

    Maul, Jonathan D.; Farris, Jerry L.; Lydy, Michael J.

    2006-01-01

    Cladocera are frequently used as test organisms for assessing chemical and effluent toxicity and have been shown to respond to stimuli and cues from potential predators. In this study, the interactive effects of visual and chemical cues of fish and two organophosphorous pesticides on survival of Ceriodaphnia dubia were examined. A significant chemical cue (homogenized Pimephales promelas) and malathion interaction was observed on C. dubia survival (P = 0.006). Chemical cue and 2.82 μg/L malathion resulted in a 76.0% reduction in survival compared to malathion alone (P < 0.01). Furthermore, potentiation of malathion toxicity varied based on the source of chemical cues (i.e., epithelial or whole body). It is unclear in this study whether these chemical cues elicited a predation-related stress in C. dubia. Future research should examine the mechanism of this interaction and determine what role, if any, stress responses by C. dubia might play in the interaction. - Potentiation of organophosphorous pesticide toxicity to Ceriodaphnia dubia by fathead minnow (Pimephales promelas) chemical cues was observed

  12. An integrative omics perspective for the analysis of chemical signals in ecological interactions.

    Science.gov (United States)

    Brunetti, A E; Carnevale Neto, F; Vera, M C; Taboada, C; Pavarini, D P; Bauermeister, A; Lopes, N P

    2018-03-05

    All living organisms emit, detect, and respond to chemical stimuli, thus creating an almost limitless number of interactions by means of chemical signals. Technological and intellectual advances in the last two decades have enabled chemical signals analyses at several molecular levels, including gene expression, molecular diversity, and receptor affinity. These advances have also deepened our understanding of nature to encompass interactions at multiple organism levels across different taxa. This tutorial review describes the most recent analytical developments in 'omics' technologies (i.e., genomics, transcriptomics, proteomics, and metabolomics) and provide recent examples of its application in studies of chemical signals. We highlight how studies have integrated an enormous amount of information generated from different omics disciplines into one publicly available platform. In addition, we stress the importance of considering different signal modalities and an evolutionary perspective to establish a comprehensive understanding of chemical communication.

  13. Technical committee meeting on fuel and cladding interaction. Summary report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1977-04-01

    Experiments and experiences concerning fuel-cladding interaction in thermal and fast neutron flux burnup are dealt with. A number of results from in-pile and out-of pile experiments with different fuel pins with cladding made of different stainless steels showed the importance of corrosion process, dependent on the burnup, core temperature, metal-oxide ratio, and other steady state parameters in the core of fast reactors (most frequently LMFBRs). This is of importance for fuel pins design and fabrication. Mixed oxide fuel is treated in many cases.

  14. Technical committee meeting on fuel and cladding interaction. Summary report

    International Nuclear Information System (INIS)

    1977-04-01

    Experiments and experiences concerning fuel-cladding interaction in thermal and fast neutron flux burnup are dealt with. A number of results from in-pile and out-of pile experiments with different fuel pins with cladding made of different stainless steels showed the importance of corrosion process, dependent on the burnup, core temperature, metal-oxide ratio, and other steady state parameters in the core of fast reactors (most frequently LMFBRs). This is of importance for fuel pins design and fabrication. Mixed oxide fuel is treated in many cases

  15. Toxic Chemicals in the Soil Environment. Volume 2. Interactions of Some Toxic Chemicals/Chemical Warfare Agents and Soils

    Science.gov (United States)

    1985-06-01

    K., S. Barik , and N. Sethunathan. 1981. Stability of commercial formulations of fenitrothion, methyl parathion, and parathion in anaero- bic soils. J ...34 D(Cl - C2 )L where; J - rate of flow or flWx, or the 4mount of solute (chemical) diffuisiguuit ti= across a unit crossý-ectional area, D difffuoion...surfaces (coatentrations C, aud C2) varies vith the concentration gradient, tlus’: 3 - -D(dC/dx) Where: J * the flux in grams or moles in cm%1s- acroeas a

  16. Chemical interaction in resistors based on lead ruthenite with additions of niobium(5) oxide compounds

    International Nuclear Information System (INIS)

    Lozinskij, N.S.; Shevtsova, N.A.; Gruba, A.I.; Volkov, V.I.

    1986-01-01

    The method of X-ray phase analysis was used to study chemical interaction in isothermal cross-section of Pb 2 RU 2 O 6 -Nb 2 O 5 , Rbsub(2)Rusub(2)Osub(6)-NbWOsub(5.5) and Rb 2 Ru 2 O 6 -Pb 2 Nb 2 O 7 systems at 850 deg C as well as in models of real ruthenium resistors. Chemical interaction is stated to take place in systems with niobium (5) oxide and NbWOsub(5.5). Niobium (5) and tungsten (6) displace ruthenium (4) from its compounds with formation of their lead salts. Similar chemical interactions between current-carrying phase of the resistor and modifiers representing niobium-containing take place in models of components of the studied systems take place in models of resistors

  17. Effective interactions between concentration fluctuations and charge transfer in chemically ordering liquid alloys

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1992-08-01

    The correlations between long-wavelength fluctuations of concentration in a liquid binary alloy are determined by a balance between an elastic strain free energy and an Ornstein-Zernike effective interaction. The latter is extracted from thermodynamic data in the case of the Li-Pb system, which is well known to chemically order with stoichiometric composition corresponding to Li 4 Pb. Strong attractive interactions between concentration fluctuations near the composition of chemical ordering originate from electronic charge transfer, which is estimated from the electron-ion partial structure factors as functions of composition in the liquid alloy. (author). 20 refs, 2 figs

  18. Chemical-Gene Interactions from ToxCast Bioactivity Data Expands Universe of Literature Network-Based Associations (SOT)

    Science.gov (United States)

    Characterizing the effects of chemicals in biological systems is often summarized by chemical-gene interactions, which have sparse coverage in the literature. The ToxCast chemical screening program has produced bioactivity data for nearly 2000 chemicals and over 450 gene targets....

  19. Development of a chemically defined medium for studying foodborne bacterial-fungal interactions

    DEFF Research Database (Denmark)

    Aunsbjerg, Stina Dissing; Honoré, Anders Hans; Vogensen, Finn Kvist

    2015-01-01

    judged by ultra-performance liquid chromatography/mass spectrometry) a chemically defined interaction medium (CDIM) was developed. The medium supported growth of antifungal cultures such as Lactobacillus paracasei and Propionibacterium freudenreichii, as well as spoilage moulds and yeasts isolated from...... fermented milk products. Both strong and weak antifungal interactions observed in milk could be reproduced in CDIM. The medium seems suitable for studying antifungal activity of bacterial cultures....

  20. Interactions between toxic chemicals and natural environmental factors--a meta-analysis and case studies.

    Science.gov (United States)

    Laskowski, Ryszard; Bednarska, Agnieszka J; Kramarz, Paulina E; Loureiro, Susana; Scheil, Volker; Kudłek, Joanna; Holmstrup, Martin

    2010-08-15

    The paper addresses problems arising from effects of natural environmental factors on toxicity of pollutants to organisms. Most studies on interactions between toxicants and natural factors, including those completed in the EU project NoMiracle (Novel Methods for Integrated Risk Assessment of Cumulative Stressors in Europe) described herein, showed that effects of toxic chemicals on organisms can differ vastly depending purely on external conditions. We compiled data from 61 studies on effects of temperature, moisture and dissolved oxygen on toxicity of a range of chemicals representing pesticides, polycyclic aromatic hydrocarbons, plant protection products of bacterial origin and trace metals. In 62.3% cases significant interactions (pnatural factors and chemicals were found, reaching 100% for the effect of dissolved oxygen on toxicity of waterborne chemicals. The meta-analysis of the 61 studies showed that the null hypothesis assuming no interactions between toxic chemicals and natural environmental factors should be rejected at p=2.7 x 10(-82) (truncated product method probability). In a few cases of more complex experimental designs, also second-order interactions were found, indicating that natural factors can modify interactions among chemicals. Such data emphasize the necessity of including information on natural factors and their variation in time and across geographic regions in ecological risk assessment. This can be done only if appropriate ecotoxicological test designs are used, in which test organisms are exposed to toxicants at a range of environmental conditions. We advocate designing such tests for the second-tier ecological risk assessment procedures. Copyright 2010 Elsevier B.V. All rights reserved.

  1. Experimental studies of thermal and chemical interactions between molten aluminum and water

    Energy Technology Data Exchange (ETDEWEB)

    Farahani, A.A.; Corradini, M.L. [Univ. of Wisconsin, Madison, WI (United States)

    1995-09-01

    The possibility of rapid physical and chemical aluminum/water interactions during a core melt accident in a noncommercial reactor (e.g., HFIR, ATR) has resulted in extensive research to determine the mechanism by which these interactions occur and propagate on an explosive time scale. These events have been reported in nuclear testing facilities, i.e., during SPERT 1D experiment, and also in aluminum casting industries. Although rapid chemical reactions between molten aluminum and water have been subject of many studies, very few reliable measurements of the extent of the chemical reactions have thus far been made. We have modified an existing 1-D shock tube facility to perform experiments in order to determine the extent of the explosive thermal/chemical interactions between molton aluminum and water by measuring important physical quantities such as the maximum dynamic pressure and the amount of the generated hydrogen. Experimental results show that transient pressures greater than 69 MPa with a rise time of less than 125 {mu}sec can occur as the result of the chemical reaction of 4.2 grams of molton aluminum (approximately 15% of the total mass of the fuel of 28 grams) at 980 C with room temperature water.

  2. The impact of plant chemical diversity on plant-herbivore interactions at the community level.

    Science.gov (United States)

    Salazar, Diego; Jaramillo, Alejandra; Marquis, Robert J

    2016-08-01

    Understanding the role of diversity in ecosystem processes and species interactions is a central goal of ecology. For plant-herbivore interactions, it has been hypothesized that when plant species diversity is reduced, loss of plant biomass to herbivores increases. Although long-standing, this hypothesis has received mixed support. Increasing plant chemical diversity with increasing plant taxonomic diversity is likely to be important for plant-herbivore interactions at the community level, but the role of chemical diversity is unexplored. Here we assess the effect of volatile chemical diversity on patterns of herbivore damage in naturally occurring patches of Piper (Piperaceae) shrubs in a Costa Rican lowland wet forest. Volatile chemical diversity negatively affected total, specialist, and generalist herbivore damage. Furthermore, there were differences between the effects of high-volatility and low-volatility chemical diversity on herbivore damage. High-volatility diversity reduced specialist herbivory, while low-volatility diversity reduced generalist herbivory. Our data suggest that, although increased plant diversity is expected to reduce average herbivore damage, this pattern is likely mediated by the diversity of defensive compounds and general classes of anti-herbivore traits, as well as the degree of specialization of the herbivores attacking those plants.

  3. Self-organization of grafted polyelectrolyte layers via the coupling of chemical equilibrium and physical interactions.

    Science.gov (United States)

    Tagliazucchi, Mario; de la Cruz, Mónica Olvera; Szleifer, Igal

    2010-03-23

    The competition between chemical equilibrium, for example protonation, and physical interactions determines the molecular organization and functionality of biological and synthetic systems. Charge regulation by displacement of acid-base equilibrium induced by changes in the local environment provides a feedback mechanism that controls the balance between electrostatic, van der Waals, steric interactions and molecular organization. Which strategies do responsive systems follow to globally optimize chemical equilibrium and physical interactions? We address this question by theoretically studying model layers of end-grafted polyacids. These layers spontaneously form self-assembled aggregates, presenting domains of controlled local pH and whose morphologies can be manipulated by the composition of the solution in contact with the film. Charge regulation stabilizes micellar domains over a wide range of pH by reducing the local charge in the aggregate at the cost of chemical free energy and gaining in hydrophobic interactions. This balance determines the boundaries between different aggregate morphologies. We show that a qualitatively new form of organization arises from the coupling between physical interactions and protonation equilibrium. This optimization strategy presents itself with polyelectrolytes coexisting in two different and well-defined protonation states. Our results underline the need of considering the coupling between chemical equilibrium and physical interactions due to their highly nonadditive behavior. The predictions provide guidelines for the creation of responsive polymer layers presenting self-organized patterns with functional properties and they give insights for the understanding of competing interactions in highly inhomogeneous and constrained environments such as those relevant in nanotechnology and those responsible for biological cells function.

  4. Phthalic Acid Chemical Probes Synthesized for Protein-Protein Interaction Analysis

    Directory of Open Access Journals (Sweden)

    Chin-Jen Wu

    2013-06-01

    Full Text Available Plasticizers are additives that are used to increase the flexibility of plastic during manufacturing. However, in injection molding processes, plasticizers cannot be generated with monomers because they can peel off from the plastics into the surrounding environment, water, or food, or become attached to skin. Among the various plasticizers that are used, 1,2-benzenedicarboxylic acid (phthalic acid is a typical precursor to generate phthalates. In addition, phthalic acid is a metabolite of diethylhexyl phthalate (DEHP. According to Gene_Ontology gene/protein database, phthalates can cause genital diseases, cardiotoxicity, hepatotoxicity, nephrotoxicity, etc. In this study, a silanized linker (3-aminopropyl triethoxyslane, APTES was deposited on silicon dioxides (SiO2 particles and phthalate chemical probes were manufactured from phthalic acid and APTES–SiO2. These probes could be used for detecting proteins that targeted phthalic acid and for protein-protein interactions. The phthalic acid chemical probes we produced were incubated with epithelioid cell lysates of normal rat kidney (NRK-52E cells to detect the interactions between phthalic acid and NRK-52E extracted proteins. These chemical probes interacted with a number of chaperones such as protein disulfide-isomerase A6, heat shock proteins, and Serpin H1. Ingenuity Pathways Analysis (IPA software showed that these chemical probes were a practical technique for protein-protein interaction analysis.

  5. The interaction between bitumen matrix and chemical components of radioactive wastes of WWER type

    International Nuclear Information System (INIS)

    Selucky, P.; Sazavsky, P.; Peka, V.; Krupka, M.

    2000-01-01

    The interaction between bitumen matrix and chemical components of WWER type radioactive wastes was studied. So called ''cold'' model bitumen products were prepared and compared with real products using macroDTA method. On the basis of obtained curves, the evaluation of bitumen product fire risks was performed with the aim to minimize risks of bituminization process. (authors)

  6. On the Use of Interactive Texts in Undergraduate Chemical Reaction Engineering Courses: A Pedagogical Experience

    Science.gov (United States)

    Asensio, Daniela A.; Barassi, Francisca J.; Zambon, Mariana T.; Mazza, Germán D.

    2010-01-01

    This paper describes the results of a pedagogical experience carried out at the University of Comahue, Argentina, with an interactive text (IT) concerning Homogeneous Chemical Reactors Analysis. The IT was built on the frame of the "Mathematica" software with the aim of providing students with a robust computational tool. Students'…

  7. Chemical Interactions of Surface-Active Agents with Growing Resorcinol-Formaldehyde Gels

    Czech Academy of Sciences Publication Activity Database

    Jirglová, Hana; Maldonato-Hódar, F. J.

    2010-01-01

    Roč. 26, č. 20 (2010), s. 16103-16109 ISSN 0743-7463 Institutional research plan: CEZ:AV0Z40400503 Keywords : chemical interactions * FTIR * physical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.269, year: 2010

  8. Fourier transform IR studies on the interaction of selected chemicals with isolated cuticles

    International Nuclear Information System (INIS)

    Luque, P.; Ramirez, F.J.; Heredia, A.; Bukovac, M.J.

    1994-01-01

    It is known that the plant cuticle represents the first barrier that must be overcome by any chemical reaching the plant surface from the atmosphere before entering the plant. Because of the importance of the cuticle as a barrier to penetration of a wide variety of compounds, its morphology, chemistry, and permeability have been extensively studied. However, only limited information is available on the nature of functional chemical groups present and their interaction and role during the penetration process. The usefulness of in situ Fourier transform infrared spectroscopy studies in identifying functional groups present in isolated cuticles is described and their relationships to the structure of the cuticular membrane are discussed. Applications of infrared spectroscopy on the presence and role of phenolics in the cuticle structure and during the cuticle development, nitrogen oxide binding to isolated cuticles, and the interactions between selected chemical probes during sorption by the cuticle are also described. (orig.)

  9. Parametric Evaluation of SiC/SiC Composite Cladding with UO2 Fuel for LWR Applications: Fuel Rod Interactions and Impact of Nonuniform Power Profile in Fuel Rod

    Science.gov (United States)

    Singh, G.; Sweet, R.; Brown, N. R.; Wirth, B. D.; Katoh, Y.; Terrani, K.

    2018-02-01

    SiC/SiC composites are candidates for accident tolerant fuel cladding in light water reactors. In the extreme nuclear reactor environment, SiC-based fuel cladding will be exposed to neutron damage, significant heat flux, and a corrosive environment. To ensure reliable and safe operation of accident tolerant fuel cladding concepts such as SiC-based materials, it is important to assess thermo-mechanical performance under in-reactor conditions including irradiation and realistic temperature distributions. The effect of non-uniform dimensional changes caused by neutron irradiation with spatially varying temperatures, along with the closing of the fuel-cladding gap, on the stress development in the cladding over the course of irradiation were evaluated. The effect of non-uniform circumferential power profile in the fuel rod on the mechanical performance of the cladding is also evaluated. These analyses have been performed using the BISON fuel performance modeling code and the commercial finite element analysis code Abaqus. A constitutive model is constructed and solved numerically to predict the stress distribution in the cladding under normal operating conditions. The dependence of dimensions and thermophysical properties on irradiation dose and temperature has been incorporated into the models. Initial scoping results from parametric analyses provide time varying stress distributions in the cladding as well as the interaction of fuel rod with the cladding under different conditions of initial fuel rod-cladding gap and linear heat rate. It is found that a non-uniform circumferential power profile in the fuel rod may cause significant lateral bowing in the cladding, and motivates further analysis and evaluation.

  10. Chemical Interactions and Their Role in the Microphase Separation of Block Copolymer Thin Films

    Directory of Open Access Journals (Sweden)

    Richard A. Farrell

    2009-08-01

    Full Text Available The thermodynamics of self-assembling systems are discussed in terms of the chemical interactions and the intermolecular forces between species. It is clear that there are both theoretical and practical limitations on the dimensions and the structural regularity of these systems. These considerations are made with reference to the microphase separation that occurs in block copolymer (BCP systems. BCP systems self-assemble via a thermodynamic driven process where chemical dis-affinity between the blocks driving them part is balanced by a restorative force deriving from the chemical bond between the blocks. These systems are attracting much interest because of their possible role in nanoelectronic fabrication. This form of self-assembly can obtain highly regular nanopatterns in certain circumstances where the orientation and alignment of chemically distinct blocks can be guided through molecular interactions between the polymer and the surrounding interfaces. However, for this to be possible, great care must be taken to properly engineer the interactions between the surfaces and the polymer blocks. The optimum methods of structure directing are chemical pre-patterning (defining regions on the substrate of different chemistry and graphoepitaxy (topographical alignment but both centre on generating alignment through favourable chemical interactions. As in all self-assembling systems, the problems of defect formation must be considered and the origin of defects in these systems is explored. It is argued that in these nanostructures equilibrium defects are relatively few and largely originate from kinetic effects arising during film growth. Many defects also arise from the confinement of the systems when they are ‘directed’ by topography. The potential applications of these materials in electronics are discussed.

  11. Comparison of interaction mechanisms of copper phthalocyanine and nickel phthalocyanine thin films with chemical vapours

    Science.gov (United States)

    Ridhi, R.; Singh, Sukhdeep; Saini, G. S. S.; Tripathi, S. K.

    2018-04-01

    The present study deals with comparing interaction mechanisms of copper phthalocyanine and nickel phthalocyanine with versatile chemical vapours: reducing, stable aromatic and oxidizing vapours namely; diethylamine, benzene and bromine. The variation in electrical current of phthalocyanines with exposure of chemical vapours is used as the detection parameter for studying interaction behaviour. Nickel phthalocyanine is found to exhibit anomalous behaviour after exposure of reducing vapour diethylamine due to alteration in its spectroscopic transitions and magnetic states. The observed sensitivities of copper phthalocyanine and nickel phthalcyanine films are different in spite of their similar bond numbers, indicating significant role of central metal atom in interaction mechanism. The variations in electronic transition levels after vapours exposure, studied using UV-Visible spectroscopy confirmed our electrical sensing results. Bromine exposure leads to significant changes in vibrational bands of metal phthalocyanines as compared to other vapours.

  12. Toxic effects of the interaction of titanium dioxide nanoparticles with chemicals or physical factors

    Science.gov (United States)

    Liu, Kui; Lin, Xialu; Zhao, Jinshun

    2013-01-01

    Due to their chemical stability and nonallergic, nonirritant, and ultraviolet protective properties, titanium dioxide (TiO2) nanoparticles (NPs) have been widely used in industries such as electronics, optics, and material sciences, as well as architecture, medicine, and pharmacology. However, increasing concerns have been raised in regards to its ecotoxicity and toxicity on the aquatic environment as well as to humans. Although insights have been gained into the effects of TiO2 NPs on susceptible biological systems, there is still much ground to be covered, particularly in respect of our knowledge of the effects of the interaction of TiO2 NPs with other chemicals or physical factors. Studies suggest that interactions of TiO2 NPs with other chemicals or physical factors may result in an increase in toxicity or adverse effects. This review highlights recent progress in the study of the interactive effects of TiO2 NPs with other chemicals or physical factors. PMID:23901269

  13. Repulsive baryonic interactions and lattice QCD observables at imaginary chemical potential

    Directory of Open Access Journals (Sweden)

    Volodymyr Vovchenko

    2017-12-01

    Full Text Available The first principle lattice QCD methods allow to calculate the thermodynamic observables at finite temperature and imaginary chemical potential. These can be compared to the predictions of various phenomenological models. We argue that Fourier coefficients with respect to imaginary baryochemical potential are sensitive to modeling of baryonic interactions. As a first application of this sensitivity, we consider the hadron resonance gas (HRG model with repulsive baryonic interactions, which are modeled by means of the excluded volume correction. The Fourier coefficients of the imaginary part of the net-baryon density at imaginary baryochemical potential – corresponding to the fugacity or virial expansion at real chemical potential – are calculated within this model, and compared with the Nt=12 lattice data. The lattice QCD behavior of the first four Fourier coefficients up to T≃185 MeV is described fairly well by an interacting HRG with a single baryon–baryon eigenvolume interaction parameter b≃1 fm3, while the available lattice data on the difference χ2B−χ4B of baryon number susceptibilities is reproduced up to T≃175 MeV. Keywords: Hadron resonance gas, Excluded volume, Imaginary chemical potential

  14. DEVELOPMENT OF INTERACTIVE E-BOOK BASED ON CHEMICAL REPRESENTATION REFER TO CURRICULUM 2013

    Directory of Open Access Journals (Sweden)

    L. Tania

    2015-11-01

    Full Text Available This research aimed to develop an interactive e-book based representations of chemistry; describes the characteristics of the interactive e-book developed; the teachers responses in content suitability with curriculum and graphics aspects; and student responses in readibility aspects. The method used was research and development. The characteristics of interactive e-book: it was developed referring to the core competencies (KI and basic competence (KD in the curriculum 2013, allowed active interaction between students and e-book, completed with pictures, animations or videos in three levels of the chemical representation. Teachers’ responses to the content suitability and graphic aspects were very good with the percentage of each 98.46% and 97.5%. The students’ responses in readibility aspects was very good with percentage of 88.5%.

  15. Rapid, portable detection of endocrine disrupting chemicals through ligand-nuclear hormone receptor interactions.

    Science.gov (United States)

    Hunt, J Porter; Schinn, Song-Min; Jones, Matthew D; Bundy, Bradley C

    2017-12-04

    Endocrine disrupting chemicals (EDC) are structurally diverse compounds that can interact with nuclear hormone receptors, posing significant risk to human and ecological health. Unfortunately, many conventional biosensors have been too structure-specific, labor-intensive or laboratory-oriented to detect broad ranges of EDC effectively. Recently, several technological advances are providing more rapid, portable, and affordable detection of endocrine-disrupting activity through ligand-nuclear hormone receptor interactions. Here, we overview these recent advances applied to EDC biosensors - including cell lyophilization, cell immobilization, cell-free systems, smartphone-based signal detection, and improved competitive binding assays.

  16. Can toxicokinetic and toxicodynamic modeling be used to understand and predict synergistic interactions between chemicals?

    DEFF Research Database (Denmark)

    Cedergreen, Nina; Dalhoff, Kristoffer; Li, Dan

    2017-01-01

    including synergists. The aim of the present study is to develop a mechanistic toxicokinetic (TK) and toxicodynamic (TD) model for the synergistic mixture of the azole fungicide, propiconazole (the synergist), and the insecticide, α-cypermethrin, on the mortality of the crustacean Daphnia magna. The study...... by their effect on the biotransformation rate but that this effect could only partly be explained by the effect of the two azoles on cytochrome P450 activity, measured on D. magna in vivo. TKTD models of interacting mixtures seem to be a promising tool to test mechanisms of interactions between chemicals...

  17. Chemical interactions of reactor core materials up to very high temperatures

    International Nuclear Information System (INIS)

    Hofmann, P.; Hagen, S.; Schanz, G.; Skokan, A.

    1989-01-01

    The paper describes which chemical interactions may occur in a LWR fuel rod bundle containing (Ag, In, Cd) absorber rods or (Al 2 O 3 /B 4 C) burnable poison rods with increasing temperature up to the complete melting of the components and the formed reaction products. The kinetics of the most important chemical interactions has been investigated and the results are described. In most cases the reaction products have lower melting points or ranges than the original components. This results in a relocation of liquefied components often far below their melting points. There exist three distinct temperature regimes in which liquid phases can form in the core in differently large quantities. These temperature regimes are described in detail. The phase relations in the important ternary (U, Zr, O) system have been extensively studied. The effect of steel constituents on the phase relations is given in addition. All the considerations are focused on PWR conditions only. (orig.) [de

  18. Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals

    Directory of Open Access Journals (Sweden)

    N. V. Solovyova

    2015-04-01

    Full Text Available Following the analysis of the results of quantum chemical simulation of interaction between a GSH molecule and oxygen radicals •ОН and •ООˉ, it was found that it takes place through the acid-base mechanism, where GSH acts as a base towards •ОН, and as an acid towards •ООˉ. The results of quantum chemical calculations (electron density redistribution, energy characteristics were correlated at the time of interaction of a GSH molecule with •ОН and •ООˉ with a change of macroscopic parameters of the process of free oxygen radical electroreduction in the presence of GSH (potential and maximum current of reduction waves, which is a direct experimental macroscale evidence of results of the conducted nanoscale theoretical simulation.

  19. Experimental studies of thermal and chemical interactions between molten aluminum and nuclear dispersion fuels with water

    International Nuclear Information System (INIS)

    Farahani, A.A.

    1997-01-01

    Because of the possibility of rapid physical and chemical molten fuel-water interactions during a core melt accident in noncommercial or experimental reactors, it is important to understand the interactions that might occur if these materials were to contact water. An existing vertical 1-D shock tube facility was improved and a gas sampling device to measure the gaseous hydrogen in the upper chamber of the shock tube was designed and built to study the impact of a water column driven downward by a pressurized gas onto both molten aluminum (6061 alloy) and oxide and silicide depleted nuclear dispersion fuels in aluminum matrices. The experiments were carried out with melt temperatures initially at 750 to 1,000 C and water at room temperature and driving pressures of 0.5 and 1 MPa. Very high transient pressures, in many cases even larger than the thermodynamic critical pressure of the water (∼ 20 MPa), were generated due to the interactions between the water and the crucible and its contents. The molten aluminum always reacted chemically with the water but the reaction did not increase consistently with increasing melt temperature. An aluminum ignition occurred when water at room temperature impacted 28.48 grams of molten aluminum at 980.3 C causing transient pressures greater than 69 MPa. No signs of aluminum ignition were observed in any of the experiments with the depleted nuclear dispersion fuels, U 3 O 8 -Al and U 3 Si 2 -Al. The greater was the molten aluminum-water chemical reaction, the finer was the debris recovered for a given set of initial conditions. Larger coolant velocities (larger driving pressures) resulted in more melt fragmentation but did not result in more molten aluminum-water chemical reaction. Decreasing the water temperature also resulted in more melt fragmentation and did not suppress the molten aluminum-water chemical reaction

  20. Chemical aspects of pellet-cladding interaction in light water reactor fuel elements

    International Nuclear Information System (INIS)

    Olander, D.R.

    1982-01-01

    In contrast to the extensive literature on the mechanical aspects of pellet-cladding interaction (PCI) in light water reactor fuel elements, the chemical features of this phenomenon are so poorly understood that there is still disagreement concerning the chemical agent responsible. Since the earliest work by Rosenbaum, Davies and Pon, laboratory and in-reactor experiments designed to elucidate the mechanism of PCI fuel rod failures have concentrated almost exclusively on iodine. The assumption that this is the reponsible chemical agent is contained in models of PCI which have been constructed for incorporation into fuel performance codes. The evidence implicating iodine is circumstantial, being based primarily upon the volatility and significant fission yield of this element and on the microstructural similarity of the failed Zircaloy specimens exposed to iodine in laboratory stress corrosion cracking (SCC) tests to cladding failures by PCI

  1. Analysis of mechanical and chemical pellet-clad interaction during power ramps

    International Nuclear Information System (INIS)

    Vogl, W.; Hering, W.; Peehs; Lavake, J.

    1979-01-01

    A research and development program is being conducted by KWU and C-E to investigate Pellet/Clad Interaction (PCI) in LWR fuel rods during power ramping. Out-of-pile iodine stress corrosion cracking studies, in-pile ramp experiments and hot cell chemical and metallographical post-irradiation examinations are being performed to study and evaluate both the power limitations and the basic mechanisms of PCI as well as practical methods to improve ramping performance. (orig.)

  2. Quantitative Chemical-Genetic Interaction Map Connects Gene Alterations to Drug Responses | Office of Cancer Genomics

    Science.gov (United States)

    In a recent Cancer Discovery report, CTD2 researchers at the University of California in San Francisco developed a new quantitative chemical-genetic interaction mapping approach to evaluate drug sensitivity or resistance in isogenic cell lines. Performing a high-throughput screen with isogenic cell lines allowed the researchers to explore the impact of a panel of emerging and established drugs on cells overexpressing a single cancer-associated gene in isolation.

  3. Chemical interaction of the In-Ga eutectic with Al and Al-base alloys

    International Nuclear Information System (INIS)

    Trenikhin, M.V.; Bubnov, A.V.; Duplyakin, V.K.; Nizovskij, A.I.

    2006-01-01

    The chemical interaction of the indium-gallium eutectic with Al and Al-base alloys is studied by X-ray diffraction, optical microscopy, and electron microscopy. Experimental data are presented that shed light on the reaction mechanism and the diffusion processes responsible for the subsequent disintegration of the material and its dissolution in water. Mechanical tests show that the activation of aluminum leads to a transition from plastic to brittle fracture [ru

  4. Multiple stressor effects in Chlamydomonas reinhardtii – Toward understanding mechanisms of interaction between effects of ultraviolet radiation and chemical pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Korkaric, Muris [Eawag, Swiss Federal Institute of Aquatic Science and Technology, Department of Environmental Toxicology, 8600, Duebendorf (Switzerland); ETH Zürich, Institute of Biogeochemistry and Pollutant Dynamics, 8092 Zürich (Switzerland); Behra, Renata; Fischer, Beat B. [Eawag, Swiss Federal Institute of Aquatic Science and Technology, Department of Environmental Toxicology, 8600, Duebendorf (Switzerland); Junghans, Marion [Swiss Center for Applied Ecotoxicology Eawag-EPFL, 8600, Duebendorf (Switzerland); Eggen, Rik I.L., E-mail: rik.eggen@eawag.ch [Eawag, Swiss Federal Institute of Aquatic Science and Technology, Department of Environmental Toxicology, 8600, Duebendorf (Switzerland); ETH Zürich, Institute of Biogeochemistry and Pollutant Dynamics, 8092 Zürich (Switzerland)

    2015-05-15

    Highlights: • Systematic study of multiple stressor effects of UVR and chemicals in C. reinhardtii. • UVR and chemicals did not act independently on algal photosynthesis and reproduction. • Multiple stressor effects of UVR and chemicals depended on chemical MOA. • Synergistic effect interactions not limited to oxidative stress inducing chemicals. • Multiple MOAs of UVR may limit applicability of current prediction models. - Abstract: The effects of chemical pollutants and environmental stressors, such as ultraviolet radiation (UVR), can interact when organisms are simultaneously exposed, resulting in higher (synergistic) or lower (antagonistic) multiple stressor effects than expected based on the effects of single stressors. Current understanding of interactive effects is limited due to a lack of mechanism-based multiple stressor studies. It has been hypothesized that effect interactions may generally occur if chemical and non-chemical stressors cause similar physiological effects in the organism. To test this hypothesis, we exposed the model green alga Chlamydomonas reinhardtii to combinations of UVR and single chemicals displaying modes of action (MOA) similar or dissimilar to the impact of UVR on photosynthesis. Stressor interactions were analyzed based on the independent action model. Effect interactions were found to depend on the MOA of the chemicals, and also on their concentrations, the exposure time and the measured endpoint. Indeed, only chemicals assumed to cause effects on photosynthesis similar to UVR showed interactions with UVR on photosynthetic yield: synergistic in case of Cd(II) and paraquat and antagonistic in case of diuron. No interaction on photosynthesis was observed for S-metolachlor, which acts dissimilarly to UVR. However, combined effects of S-metolachlor and UVR on algal reproduction were synergistic, highlighting the importance of considering additional MOA of UVR. Possible mechanisms of stressor effect interactions are

  5. Multiple stressor effects in Chlamydomonas reinhardtii – Toward understanding mechanisms of interaction between effects of ultraviolet radiation and chemical pollutants

    International Nuclear Information System (INIS)

    Korkaric, Muris; Behra, Renata; Fischer, Beat B.; Junghans, Marion; Eggen, Rik I.L.

    2015-01-01

    Highlights: • Systematic study of multiple stressor effects of UVR and chemicals in C. reinhardtii. • UVR and chemicals did not act independently on algal photosynthesis and reproduction. • Multiple stressor effects of UVR and chemicals depended on chemical MOA. • Synergistic effect interactions not limited to oxidative stress inducing chemicals. • Multiple MOAs of UVR may limit applicability of current prediction models. - Abstract: The effects of chemical pollutants and environmental stressors, such as ultraviolet radiation (UVR), can interact when organisms are simultaneously exposed, resulting in higher (synergistic) or lower (antagonistic) multiple stressor effects than expected based on the effects of single stressors. Current understanding of interactive effects is limited due to a lack of mechanism-based multiple stressor studies. It has been hypothesized that effect interactions may generally occur if chemical and non-chemical stressors cause similar physiological effects in the organism. To test this hypothesis, we exposed the model green alga Chlamydomonas reinhardtii to combinations of UVR and single chemicals displaying modes of action (MOA) similar or dissimilar to the impact of UVR on photosynthesis. Stressor interactions were analyzed based on the independent action model. Effect interactions were found to depend on the MOA of the chemicals, and also on their concentrations, the exposure time and the measured endpoint. Indeed, only chemicals assumed to cause effects on photosynthesis similar to UVR showed interactions with UVR on photosynthetic yield: synergistic in case of Cd(II) and paraquat and antagonistic in case of diuron. No interaction on photosynthesis was observed for S-metolachlor, which acts dissimilarly to UVR. However, combined effects of S-metolachlor and UVR on algal reproduction were synergistic, highlighting the importance of considering additional MOA of UVR. Possible mechanisms of stressor effect interactions are

  6. Physical and Chemical Interactions between Mg:Al Layered Double Hydroxide and Hexacyanoferrate

    Science.gov (United States)

    Boclair, Joseph W.; Braterman, Paul S.; Brister, Brian D.; Wang, Zhiming; Yarberry, Faith

    2001-11-01

    The physical and chemical interactions of ferrocyanide (potassium and ammonium salts) and ferricyanide (potassium salt) with Mg:Al layered double hydroxides (LDH) (having Mg:Al ratios of 2 and 3) are investigated using powder XRD and FTIR spectroscopy. Physically, the potassium ferricyanide is shown to intercalate with a small local field deformation similar to that seen for hexacyanocobaltate (III) in similar materials. Chemically, the reduction of ferricyanide to ferrocyanide upon intercalation is confirmed. Physical interactions of ferrocyanide with 3:1 LDH are shown spectroscopically to include the possible generation of anions in differing environments. Chemically, ferrocyanide is shown to generate cubic ferrocyanides (of the type M2MgFe(CN)6, where M=K+ or NH+4) under conditions where free Mg2+ is likely present in solution, namely, solutions with a pH lower than ∼7.5. It is shown that the reported 2112-cm-1 band found in some chemically altered LDH ferrocyanide is indeed due to interlayer ferricyanide, but that the 2080 cm-1 band is due to the cubic material.

  7. Interactions among Carbon Dioxide, Heat, and Chemical Lures in Attracting the Bed Bug, Cimex lectularius L. (Hemiptera: Cimicidae

    Directory of Open Access Journals (Sweden)

    Narinderpal Singh

    2012-01-01

    Full Text Available Commercial bed bug (Cimex lectularius L. monitors incorporating carbon dioxide (CO2, heat, and chemical lures are being used for detecting bed bugs; however, there are few reported studies on the effectiveness of chemical lures in bed bug monitors and the interactions among chemical lure, CO2, and heat. We screened 12 chemicals for their attraction to bed bugs and evaluated interactions among chemical lures, CO2, and heat. The chemical lure mixture consisting of nonanal, 1-octen-3-ol, spearmint oil, and coriander Egyptian oil was found to be most attractive to bed bugs and significantly increased the trap catches in laboratory bioassays. Adding this chemical lure mixture when CO2 was present increased the trap catches compared with traps baited with CO2 alone, whereas adding heat did not significantly increase trap catches when CO2 was present. Results suggest a combination of chemical lure and CO2 is essential for designing effective bed bug monitors.

  8. Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, Anders S., E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu; Cui, Qiang, E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu [Department of Chemistry, University of Wisconsin-Madison, 1101 University Ave., Madison, Wisconsin 53706 (United States); Elstner, Marcus [Theoretische Chemische Biologie, Universität Karlsruhe, Kaiserstr. 12, 76131 Karlsruhe (Germany)

    2015-08-28

    Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (D3). The parameters in the CPE and D3 models are fitted to high-level CCSD(T) reference interaction energies for a broad range of chemical species, as well as dipole moments calculated at the DFT level; the impact of including polarizabilities of molecules in the parameterization is also considered. Parameters for the elements H, C, N, O, and S are presented. The Root Mean Square Deviation (RMSD) interaction energy is improved from 6.07 kcal/mol to 1.49 kcal/mol for interactions with one charged species, whereas the RMSD is improved from 5.60 kcal/mol to 1.73 for a set of 9 salt bridges, compared to uncorrected DFTB3. For large water clusters and complexes that are dominated by dispersion interactions, the already satisfactory performance of the DFTB3-D3 model is retained; polarizabilities of neutral molecules are also notably improved. Overall, the CPE extension of DFTB3-D3 provides a more balanced description of different types of non-covalent interactions than Neglect of Diatomic Differential Overlap type of semi-empirical methods (e.g., PM6-D3H4) and PBE-D3 with modest basis sets.

  9. Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions

    Science.gov (United States)

    Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A.; Decker, William; Manjili, Masoud H.; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A. Ivana; Raju, Jayadev; Hamid, Roslida A.; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K.; Ryan, Elizabeth P.; Brown, Dustin G.; Lowe, Leroy; Lyerly, H.Kim

    2015-01-01

    An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. PMID:26002081

  10. A thermodynamic framework for thermo-chemo-elastic interactions in chemically active materials

    Science.gov (United States)

    Zhang, XiaoLong; Zhong, Zheng

    2017-08-01

    In this paper, a general thermodynamic framework is developed to describe the thermo-chemo-mechanical interactions in elastic solids undergoing mechanical deformation, imbibition of diffusive chemical species, chemical reactions and heat exchanges. Fully coupled constitutive relations and evolving laws for irreversible fluxes are provided based on entropy imbalance and stoichiometry that governs reactions. The framework manifests itself with a special feature that the change of Helmholtz free energy is attributed to separate contributions of the diffusion-swelling process and chemical reaction-dilation process. Both the extent of reaction and the concentrations of diffusive species are taken as independent state variables, which describe the reaction-activated responses with underlying variation of microstructures and properties of a material in an explicit way. A specialized isothermal formulation for isotropic materials is proposed that can properly account for volumetric constraints from material incompressibility under chemo-mechanical loadings, in which inhomogeneous deformation is associated with reaction and diffusion under various kinetic time scales. This framework can be easily applied to model the transient volumetric swelling of a solid caused by imbibition of external chemical species and simultaneous chemical dilation arising from reactions between the diffusing species and the solid.

  11. The effect of strong intermolecular and chemical interactions on the compatibility of polymers

    International Nuclear Information System (INIS)

    Askadskii, Andrei A

    1999-01-01

    The data on compatibility and on the properties of polymer blends are generalised. The emphasis is placed on the formation of strong intermolecular interactions (dipole-dipole interaction and hydrogen bonding) between the components of blends, as well as on the chemical reactions between them. A criterion for the prediction of compatibility of polymers is described in detail. Different cases of compatibility are considered and the dependences of the glass transition temperatures on the composition of blends are analysed. The published data on the effect of strong intermolecular interactions between the blend components on the glass transition temperature are considered. The preparation of interpolymers is described whose macromolecules are composed of incompatible polymers, which leads to the so-called 'forced compatibility.' The bibliography includes 80 references.

  12. Climate-chemical interactions and effects of changing atmospheric trace gases

    Science.gov (United States)

    Ramanathan, V.; Callis, L.; Cess, R.; Hansen, J.; Isaksen, I.

    1987-01-01

    The paper considers trace gas-climate effects including the greenhouse effect of polyatomic trace gases, the nature of the radiative-chemical interactions, and radiative-dynamical interactions in the stratosphere, and the role of these effects in governing stratospheric climate change. Special consideration is given to recent developments in the investigations of the role of oceans in governing the transient climate responses, and a time-dependent estimate of the potential trace gas warming from the preindustrial era to the early 21st century. The importance of interacting modeling and observational efforts is emphasized. One of the problems remaining on the observational front is the lack of certainty in current estimates of the rate of growth of CO, O3, and NOx; the primary challenge is the design of a strategy that will minimize the sampling errors.

  13. Numerical simulation of interaction between chemically active exhaust and a jet blast deflector

    Science.gov (United States)

    Korotaeva, T. A.; Turchinovich, A. O.

    2017-10-01

    The interaction of chemically active exhausts of aircraft engines with jet blast deflector (JBD) of various configurations has been considered at the stage of ground run procedure. The problem is modeled in the 3-D approximation in the framework of the numerical solution of the Navier-Stokes equations taking into account the kinetic model of the interaction of between the components of engine exhaust and air. A complex field of gasdynamic flow that is realized when jets emerge from nozzles and interact with each other, with air, with a gas deflector has been studied. The main purpose of the study is to prove the concept that it is possible to generate a vortex flow that can not only change the direction of the jets, but also contribute to the lifting of the mass of pollutants and their dispersion in the atmosphere using a gas deflector shape.

  14. Analysis of the interaction of phytoestrogens and synthetic chemicals: An in vitro/in vivo comparison

    International Nuclear Information System (INIS)

    Charles, Grantley D.; Gennings, Chris; Tornesi, Belen; Kan, H. Lynn; Zacharewski, Timothy R.; Bhaskar Gollapudi, B.; Carney, Edward W.

    2007-01-01

    In the evaluation of chemical mixture toxicity, it is desirable to develop an evaluation paradigm which incorporates some critical attributes of real world exposures, particularly low dose levels, larger numbers of chemicals, and chemicals from synthetic and natural sources. This study evaluated the impact of low level exposure to a mixture of six synthetic chemicals (SC) under conditions of co-exposure to various levels of plant-derived phytoestrogen (PE) compounds. Estrogenic activity was evaluated using an in vitro human estrogen receptor (ER) transcriptional activation assay and an in vivo immature rat uterotrophic assay. Initially, dose-response curves were characterized for each of the six SCs (methoxyclor, o,p-DDT, octylphenol, bisphenol A, β-hexachlorocyclohexane, 2,3-bis(4-hydroxyphenyl)-propionitrile) in each of the assays. The six SCs were then combined at equipotent ratios and tested at 5-6 dose levels spanning from very low, sub-threshold levels, to a dose in which every chemical in the mixture was at its individual estrogenic response threshold. The SC mixtures also were tested in the absence or presence of 5-6 different levels of PEs, for a total of 36 (in vitro) or 25 (in vivo) treatment groups. Both in vitro and in vivo, low concentrations of the SC mixture failed to increase estrogenic responses relative to those induced by PEs alone. However, significant increases in response occurred when each chemical in the SC mixture was near or above its individual response threshold. In vitro, interactions between high-doses of SCs and PEs were greater than additive, whereas mixtures of SCs in the absence of PEs interacted in a less than additive fashion. In vivo, the SC and PE mixture responses were consistent with additivity. These data illustrate a novel approach for incorporating key attributes of real world exposures in chemical mixture toxicity assessments, and suggest that chemical mixture toxicity is likely to be of concern only when the mixture

  15. Development of a Chemical Equilibrium Model for a Molten Core-Concrete Interaction Analysis Module

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Jae Uk; Lee, Dae Young; Park, Chang Hwan [FNC Technology Co., Yongin (Korea, Republic of)

    2016-10-15

    This molten core could interact with the reactor cavity region which consists of concrete. In this process, components of molten core react with components of concrete through a lot of chemical reactions. As a result, many kinds of gas species are generated and those move up forming rising bubbles into the reactor containment atmosphere. These rising bubbles are the carrier of the many kinds of the aerosols coming from the MCCI (Molten Core Concrete Interaction) layers. To evaluate the amount of the aerosols released from the MCCI layers, the amount of the gas species generated from those layers should be calculated. The chemical equilibrium state originally implies the final state of the multiple chemical reactions; therefore, investigating the equilibrium composition of molten core can be applicable to predict the gas generation status. The most common way for finding the chemical equilibrium state is a minimization of total Gibbs free energy of the system. In this paper, the method to make good guess of initial state is suggested and chemical reaction results are compared with results of CSSI report No 164. Total mass of system and the number of atoms of each element are conserved. The tendency of calculation results is similar with results presented in CSNI Report except a few species. These differences may be caused by absence of Gibbs energy data of the species such as Fe{sub 2}SiO{sub 4}, CaFe{sub 2}O{sub 4}, U(OH){sub 3}, UO(OH), UO{sub 2}(OH), U{sub 3}O{sub 7}, La, Ce.

  16. Interactions of benzoic acid and phosphates with iron oxide colloids using chemical force titration.

    Science.gov (United States)

    Liang, Jana; Horton, J Hugh

    2005-11-08

    Colloidal iron oxides are an important component in soil systems and in water treatment processes. Humic-based organic compounds, containing both phenol and benzoate functional groups, are often present in these systems and compete strongly with phosphate species for binding sites on the iron oxide surfaces. Here, we examine the interaction of benzoate and phenolic groups with various iron oxide colloids using atomic force microscopy (AFM) chemical force titration measurements. Self-assembled monolayers (SAMs) of 4-(12-mercaptododecyloxy)benzoic acid and 4-(12-mercaptododecyloxy)phenol were used to prepare chemically modified Au-coated AFM tips, and these were used to probe the surface chemistry of a series of iron oxide colloids. The SAMs formed were also characterized using scanning tunneling microscopy, reflection-absorption infrared spectroscopy, and X-ray photoelectron spectroscopy. The surface pK(a) of 4-(12- mercaptododecyloxy)benzoic acid has been determined to be 4.0 +/- 0.5, and the interaction between the tip and the sample coated with a SAM of this species is dominated by hydrogen bonding. The chemical force titraton profile for an AFM probe coated with 4-(12- mercaptododecyloxy)benzoic acid and a bare iron oxide colloid demonstrates that the benzoic acid function group interacts with all three types of iron oxide sites present on the colloid surface over a wide pH range. Similar experiments were carried out on colloids precipitated in the presence of phosphoric, gallic, and tannic acids. The results are discussed in the context of the competitive binding interactions of solution species present in soils or in water treatment processes.

  17. Interaction between thorium and potential clad materials

    International Nuclear Information System (INIS)

    Kale, G.B.; Gawde, P.S.; Sengupta, Pranesh

    2005-01-01

    Thorium based fuels are being used for nuclear reactors. The structural stability of fuel-clad assemblies in reactor systems depend upon the nature of interdiffusion reaction between fuel-cladding materials. Interdiffusion reaction thorium and various cladding materials is presented in this paper. (author)

  18. Accuracy and precision of protein-ligand interaction kinetics determined from chemical shift titrations

    Energy Technology Data Exchange (ETDEWEB)

    Markin, Craig J.; Spyracopoulos, Leo, E-mail: leo.spyracopoulos@ualberta.ca [University of Alberta, Department of Biochemistry (Canada)

    2012-12-15

    NMR-monitored chemical shift titrations for the study of weak protein-ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K{sub D}) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K{sub D} value of a 1:1 protein-ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125-138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of {sup 1}H-{sup 15}N 2D HSQC NMR spectra acquired using precise protein-ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k{sub off}). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k{sub off} {approx} 3,000 s{sup -1} in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k{sub off} from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k{sub off} values over a wide range, from 100 to 15,000 s{sup -1}. The validity of line shape analysis for k{sub off} values approaching intermediate exchange ({approx}100 s{sup -1}), may be facilitated by

  19. Accuracy and precision of protein–ligand interaction kinetics determined from chemical shift titrations

    International Nuclear Information System (INIS)

    Markin, Craig J.; Spyracopoulos, Leo

    2012-01-01

    NMR-monitored chemical shift titrations for the study of weak protein–ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K D ) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K D value of a 1:1 protein–ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125–138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of 1 H– 15 N 2D HSQC NMR spectra acquired using precise protein–ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k off ). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k off ∼ 3,000 s −1 in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k off from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k off values over a wide range, from 100 to 15,000 s −1 . The validity of line shape analysis for k off values approaching intermediate exchange (∼100 s −1 ), may be facilitated by more accurate K D measurements from NMR

  20. Accuracy and precision of protein-ligand interaction kinetics determined from chemical shift titrations.

    Science.gov (United States)

    Markin, Craig J; Spyracopoulos, Leo

    2012-12-01

    NMR-monitored chemical shift titrations for the study of weak protein-ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K ( D )) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K ( D ) value of a 1:1 protein-ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125-138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of (1)H-(15)N 2D HSQC NMR spectra acquired using precise protein-ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k ( off )). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k ( off ) ~ 3,000 s(-1) in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k ( off ) from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k ( off ) values over a wide range, from 100 to 15,000 s(-1). The validity of line shape analysis for k ( off ) values approaching intermediate exchange (~100 s(-1)), may be facilitated by more accurate K ( D ) measurements

  1. Chemical Structure-Biological Activity Models for Pharmacophores’ 3D-Interactions

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2016-07-01

    Full Text Available Within medicinal chemistry nowadays, the so-called pharmaco-dynamics seeks for qualitative (for understanding and quantitative (for predicting mechanisms/models by which given chemical structure or series of congeners actively act on biological sites either by focused interaction/therapy or by diffuse/hazardous influence. To this aim, the present review exposes three of the fertile directions in approaching the biological activity by chemical structural causes: the special computing trace of the algebraic structure-activity relationship (SPECTRAL-SAR offering the full analytical counterpart for multi-variate computational regression, the minimal topological difference (MTD as the revived precursor for comparative molecular field analyses (CoMFA and comparative molecular similarity indices analysis (CoMSIA; all of these methods and algorithms were presented, discussed and exemplified on relevant chemical medicinal systems as proton pump inhibitors belonging to the 4-indolyl,2-guanidinothiazole class of derivatives blocking the acid secretion from parietal cells in the stomach, the 1-[(2-hydroxyethoxy-methyl]-6-(phenylthiothymine congeners’ (HEPT ligands antiviral activity against Human Immunodeficiency Virus of first type (HIV-1 and new pharmacophores in treating severe genetic disorders (like depression and psychosis, respectively, all involving 3D pharmacophore interactions.

  2. Multiple stressor effects in Chlamydomonas reinhardtii--toward understanding mechanisms of interaction between effects of ultraviolet radiation and chemical pollutants.

    Science.gov (United States)

    Korkaric, Muris; Behra, Renata; Fischer, Beat B; Junghans, Marion; Eggen, Rik I L

    2015-05-01

    The effects of chemical pollutants and environmental stressors, such as ultraviolet radiation (UVR), can interact when organisms are simultaneously exposed, resulting in higher (synergistic) or lower (antagonistic) multiple stressor effects than expected based on the effects of single stressors. Current understanding of interactive effects is limited due to a lack of mechanism-based multiple stressor studies. It has been hypothesized that effect interactions may generally occur if chemical and non-chemical stressors cause similar physiological effects in the organism. To test this hypothesis, we exposed the model green alga Chlamydomonas reinhardtii to combinations of UVR and single chemicals displaying modes of action (MOA) similar or dissimilar to the impact of UVR on photosynthesis. Stressor interactions were analyzed based on the independent action model. Effect interactions were found to depend on the MOA of the chemicals, and also on their concentrations, the exposure time and the measured endpoint. Indeed, only chemicals assumed to cause effects on photosynthesis similar to UVR showed interactions with UVR on photosynthetic yield: synergistic in case of Cd(II) and paraquat and antagonistic in case of diuron. No interaction on photosynthesis was observed for S-metolachlor, which acts dissimilarly to UVR. However, combined effects of S-metolachlor and UVR on algal reproduction were synergistic, highlighting the importance of considering additional MOA of UVR. Possible mechanisms of stressor effect interactions are discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Quasi-chemical approach for adsorption of mixtures with non-additive lateral interactions

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, O.A. [Instituto de Bionanotecnología (INBIONATEC-CONICET), Universidad Nacional de Santiago de Estero, RN 9 Km 1125 Villa el Zanjón, Santiago del Estero G4206XCP (Argentina); Pasinetti, P.M., E-mail: pmp@unsl.edu.ar [Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis—CONICET, Ejército de los Andes 950, D5700BWS San Luis (Argentina); Ramirez-Pastor, A.J. [Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis—CONICET, Ejército de los Andes 950, D5700BWS San Luis (Argentina)

    2017-01-15

    Highlights: • The classical quasi-chemical approach is generalized to model non-additive mixtures. • The formalism allows to obtain the partial isotherms and the differential heat of adsorption. • A rich variety of low-temperature phases is observed in the adsorbed layer. • Theoretical results show a good agreement with Monte Carlo simulations. - Abstract: The statistical thermodynamics of binary mixtures with non-additive lateral interactions was developed on a generalization in the spirit of the lattice-gas model and the classical quasi-chemical approximation (QCA). The traditional assumption of a strictly pairwise additive nearest-neighbors interaction is replaced by a more general one, namely that the bond linking a certain atom with any of its neighbors depends considerably on how many of them are actually present (or absent) on the sites in the first coordination shell of the atom. The total and partial adsorption isotherms are given for both attractive and repulsive lateral interactions between the adsorbed species. Interesting behaviors are observed and discussed in terms of the low-temperature phases formed in the system. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model.

  4. Chemical trends in ocean islands explained by plume–slab interaction

    Science.gov (United States)

    Dannberg, Juliane; Gassmöller, Rene

    2018-04-01

    Earth's surface shows many features, of which the genesis can be understood only through their connection with processes in Earth's deep interior. Recent studies indicate that spatial geochemical patterns at oceanic islands correspond to structures in the lowermost mantle inferred from seismic tomographic models. This suggests that hot, buoyant upwellings can carry chemical heterogeneities from the deep lower mantle toward the surface, providing a window to the composition of the lowermost mantle. The exact nature of this link between surface and deep Earth remains debated and poorly understood. Using computational models, we show that subducted slabs interacting with dense thermochemical piles can trigger the ascent of hot plumes that inherit chemical gradients present in the lowermost mantle. We identify two key factors controlling this process: (i) If slabs induce strong lower-mantle flow toward the edges of these piles where plumes rise, the pile-facing side of the plume preferentially samples material originating from the pile, and bilaterally asymmetric chemical zoning develops. (ii) The composition of the melt produced reflects this bilateral zoning if the overlying plate moves roughly perpendicular to the chemical gradient in the plume conduit. Our results explain some of the observed geochemical trends of oceanic islands and provide insights into how these trends may originate.

  5. First experimental observations on melting and chemical modification of volcanic ash during lightning interaction.

    Science.gov (United States)

    Mueller, S P; Helo, C; Keller, F; Taddeucci, J; Castro, J M

    2018-01-23

    Electrification in volcanic ash plumes often leads to syn-eruptive lightning discharges. High temperatures in and around lightning plasma channels have the potential to chemically alter, re-melt, and possibly volatilize ash fragments in the eruption cloud. In this study, we experimentally simulate temperature conditions of volcanic lightning in the laboratory, and systematically investigate the effects of rapid melting on the morphology and chemical composition of ash. Samples of different size and composition are ejected towards an artificially generated electrical arc. Post-experiment ash morphologies include fully melted spheres, partially melted particles, agglomerates, and vesiculated particles. High-speed imaging reveals various processes occurring during the short lightning-ash interactions, such as particle melting and rounding, foaming, and explosive particle fragmentation. Chemical analyses of the flash-melted particles reveal considerable bulk loss of Cl, S, P and Na through thermal vaporization. Element distribution patterns suggest convection as a key process of element transport from the interior of the melt droplet to rim where volatiles are lost. Modeling the degree of sodium loss delivers maximum melt temperatures between 3290 and 3490 K. Our results imply that natural lighting strikes may be an important agent of syn-eruptive morphological and chemical processing of volcanic ash.

  6. Interaction of 3D dewetting nanodroplets on homogeneous and chemically heterogeneous substrates

    International Nuclear Information System (INIS)

    Asgari, M; Moosavi, A

    2014-01-01

    Long-time interaction of dewetting nanodroplets is investigated using a long-wave approximation method. Although three-dimensional (3D) droplets evolution dynamics exhibits qualitative behavior analogous to two-dimensional (2D) dynamics, there is an extensive quantitative difference between them. 3D dynamics is substantially faster than 2D dynamics. This can be related to the larger curvature and, as a consequence, the larger Laplace pressure difference between the droplets in 3D systems. The influence of various chemical heterogeneities on the behavior of droplets has also been studied. In the case of gradient surfaces, it is shown how the gradient direction could change the dynamics. For a chemical step located between the droplets, the dynamics is enhanced or weakened depending on the initial configuration of the system. (paper)

  7. Fluorescence spectroscopic investigation of the interaction of citrinin with native and chemically modified cyclodextrins

    Energy Technology Data Exchange (ETDEWEB)

    Poór, Miklós, E-mail: poor.miklos@pte.hu [Department of Pharmacology and Pharmacotherapy, Toxicology Section, University of Pécs, Szigeti út 12, Pécs H-7624 (Hungary); Matisz, Gergely; Kunsági-Máté, Sándor [Department of General and Physical Chemistry, University of Pécs, Ifjúság útja 6, Pécs H-7624 (Hungary); János Szentágothai Research Center, Ifjúság útja 20, Pécs H-7624 (Hungary); Derdák, Diána [Department of General and Physical Chemistry, University of Pécs, Ifjúság útja 6, Pécs H-7624 (Hungary); Szente, Lajos [CycloLab Cyclodextrin Research & Development Laboratory Ltd., Illatos út 7, Budapest H-1097 (Hungary); and others

    2016-04-15

    Citrinin (CIT) is a nephrotoxic mycotoxin produced by several Aspergillus, Penicillium and Monascus species. CIT is unavoidable contaminant of different foods and drinks due to its wide occurrence and high thermal stability. For this reason, development of new, more sensitive analytical methods and decontamination strategies has high importance. In our study, the complex formation of CIT with native and chemically modified cyclodextrins was investigated using fluorescence spectroscopy. Furthermore, thermodynamic and molecular modeling studies were also performed for the deeper understanding of these host-guest interactions. Our results show that among the tested compounds methylated β-cyclodextrins form the most stable complexes with CIT and these derivatives cause the highest fluorescence enhancement of CIT as well. These observations recommend that some of the chemically modified derivatives show more favourable properties than the native cyclodextrin, and suggesting more promising analytical applicability and higher affinity as potential toxin binders.

  8. Single-Molecule Sensing with Nanopore Confinement: from Chemical Reactions to Biological Interactions.

    Science.gov (United States)

    Lin, Yao; Ying, Yi-Lun; Gao, Rui; Long, Yi-Tao

    2018-03-25

    The nanopore can generate an electrochemical confinement for single-molecule sensing which help understand the fundamental chemical principle in nanoscale dimensions. By observing the generated ionic current, individual bond-making and bond-breaking steps, single biomolecule dynamic conformational changes and electron transfer processes that occur within pore can be monitored with high temporal and current resolution. These single-molecule studies in nanopore confinement are revealing information about the fundamental chemical and biological processes that cannot be extracted from ensemble measurements. In this concept, we introduce and discuss the electrochemical confinement effects on single-molecule covalent reactions, conformational dynamics of individual molecules and host-guest interactions in protein nanopores. Then, we extend the concept of nanopore confinement effects to confine electrochemical redox reactions in solid-state nanopores for developing new sensing mechanisms. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Influence of the Chemical Interactions on the Removal Rate of Different Salts in Electrokinetic Desalination Processes

    DEFF Research Database (Denmark)

    Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.

    2011-01-01

    Electrokinetic desalination techniques have been successfully applied for the prevention of salt-induced deterioration problems of masonry and other construction materials. A mathematical model for electrochemical desalination treatments is described, based on the Poisson-Nernst-Planck system...... of equations and accounting for the chemical interactions between the species in the pore solution and the solid matrix. Due to their high abundance in the natural environment, chlorides, nitrates and sulfates are considered the main ions responsible to the salt decay processes in buildings materials...

  10. Compensation effects in molecular interactions and the quantum chemical le Chatelier principle.

    Science.gov (United States)

    Mezey, Paul G

    2015-05-28

    Components of molecular interactions and various changes in the components of total energy changes during molecular processes typically exhibit some degrees of compensation. This may be as prominent as the over 90% compensation of the electronic energy and nuclear repulsion energy components of the total energy in some conformational changes. Some of these compensations are enhanced by solvent effects. For various arrangements of ions in a solvent, however, not only compensation but also a formal, mutual enhancement between the electronic energy and nuclear repulsion energy components of the total energy may also occur, when the tools of nuclear charge variation are applied to establish quantum chemically rigorous energy inequalities.

  11. Effect of surface physical and chemical properties on interaction and annihilation mechanisms of positrons

    International Nuclear Information System (INIS)

    Gol'danskij, V.I.; Levin, B.M.; Shantarovich, V.P.

    1982-01-01

    The possibility of positron use is illustrated, to investigate physical and chemical properties of the surface, by a number of effects found by the authors while studying the interaction and annihilation of β + -decay positrons in highly-dispersed heterogeneous systems positronium formation and ortho-para conversion close to the surface of metal particles in a dielectric matrix, postronium oxidation by proton centers on the surface of an aluminosilicate catalyst). The ways, new in the main, are revealed to study the properties of the surface by the technique of monochromatic positron beams of low energy

  12. Breaking up of pure and simulated 'burnt' mixed oxide fuel by chemical interaction with oxidized sodium

    International Nuclear Information System (INIS)

    Besnard, R.; Chaudat, J.P.

    1983-01-01

    A large experimental program have permitted to investigate the behaviour of mixed oxide fuel coming in contact with hot oxidized sodium. The kinetic of the reaction, the size and the chemical nature of the particules after interaction have been studied. The main part of experiments have been performed using mixed oxide fuel non irradiated at first and with simulated fission products afterwards. Complementary informations have been obtained with UO 2 fuel pellets. After description of the experimental devices, the results are discussed and the importance of the main parameters, like temperature and fission products effect, are pointed out. (orig.)

  13. Chemical ecology of insect-plant interactions: ecological significance of plant secondary metabolites.

    Science.gov (United States)

    Nishida, Ritsuo

    2014-01-01

    Plants produce a diverse array of secondary metabolites as chemical barriers against herbivores. Many phytophagous insects are highly adapted to these allelochemicals and use such unique substances as the specific host-finding cues, defensive substances of their own, and even as sex pheromones or their precursors by selectively sensing, incorporating, and/or processing these phytochemicals. Insects also serve as pollinators often effectively guided by specific floral fragrances. This review demonstrates the ecological significance of such plant secondary metabolites in the highly diverse interactions between insects and plants.

  14. Role of Metal Oxides in Chemical Evolution: Interaction of Ribose Nucleotides with Alumina

    Science.gov (United States)

    Arora, Avnish Kumar; Kamaluddin

    2009-03-01

    Interaction of ribonucleotides—namely, 5‧-AMP, 5‧-GMP, 5‧-CMP, and 5‧-UMP—with acidic, neutral, and basic alumina has been studied. Purine nucleotides showed higher adsorption on alumina in comparison with pyrimidine nucleotides under acidic conditions. Adsorption data obtained followed Langmuir adsorption isotherm, and Xm and KL values were calculated. On the basis of infrared spectral studies of ribonucleotides, alumina, and ribonucleotide-alumina adducts, we propose that the nitrogen base and phosphate moiety of the ribonucleotides interact with the positive charge surface of alumina. Results of the present study may indicate the importance of alumina in concentrating organic molecules from dilute aqueous solutions in primeval seas in the course of chemical evolution on Earth.

  15. Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions.

    Science.gov (United States)

    Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A; Decker, William; Manjili, Masoud H; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A Ivana; Raju, Jayadev; Hamid, Roslida A; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K; Ryan, Elizabeth P; Brown, Dustin G; Bisson, William H; Lowe, Leroy; Lyerly, H Kim

    2015-06-01

    An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  16. Probing nanomechanical interaction at the interface between biological membrane and potentially toxic chemical.

    Science.gov (United States)

    Lim, Chanoong; Park, Sohee; Park, Jinwoo; Ko, Jina; Lee, Dong Woog; Hwang, Dong Soo

    2018-04-12

    Various xenobiotics interact with biological membranes, and precise evaluations of the molecular interactions between them are essential to foresee the toxicity and bioavailability of existing or newly synthesized molecules. In this study, surface forces apparatus (SFA) measurement and Langmuir trough based tensiometry are performed to reveal nanomechanical interaction mechanisms between potential toxicants and biological membranes for ex vivo toxicity evaluation. As a toxicant, polyhexamethylene guanidine (PHMG) was selected because PHMG containing humidifier disinfectant and Vodka caused lots of victims in both S. Korea and Russia, respectively, due to the lack of holistic toxicity evaluation of PHMG. Here, we measured strong attraction (Wad ∼4.2 mJ/m 2 ) between PHMG and head group of biological membranes while no detectable adhesion force between the head group and control molecules was measured. Moreover, significant changes in π-A isotherm of 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) monolayers were measured upon PHMG adsorption. These results indicate PHMG strongly binds to hydrophilic group of lipid membranes and alters the structural and phase behavior of them. More importantly, complementary utilization of SFA and Langmuir trough techniques are found to be useful to predict the potential toxicity of a chemical by evaluating the molecular interaction with biological membranes, the primary protective barrier for living organisms. Copyright © 2018 Elsevier B.V. All rights reserved.

  17. Interactions of ionic liquids and acetone: thermodynamic properties, quantum-chemical calculations, and NMR analysis.

    Science.gov (United States)

    Ruiz, Elia; Ferro, Victor R; Palomar, Jose; Ortega, Juan; Rodriguez, Juan Jose

    2013-06-20

    The interactions between ionic liquids (ILs) and acetone have been studied to obtain a further understanding of the behavior of their mixtures, which generally give place to an exothermic process, mutual miscibility, and negative deviation of Raoult's law. COSMO-RS was used as a suitable computational method to systematically analyze the excess enthalpy of IL-acetone systems (>300), in terms of the intermolecular interactions contributing to the mixture behavior. Spectroscopic and COSMO-RS results indicated that acetone, as a polar compound with strong hydrogen bond acceptor character, in most cases, establishes favorable hydrogen bonding with ILs. This interaction is strengthened by the presence of an acidic cation and an anion with dispersed charge and non-HB acceptor character in the IL. COSMO-RS predictions indicated that gas-liquid and vapor-liquid equilibrium data for IL-acetone systems can be finely tuned by the IL selection, that is, acting on the intermolecular interactions between the molecular and ionic species in the liquid phase. NMR measurements for IL-acetone mixtures at different concentrations were also carried out. Quantum-chemical calculations by using molecular clusters of acetone and IL species were finally performed. These results provided additional evidence of the main role played by hydrogen bonding in the behavior of systems containing ILs and HB acceptor compounds, such as acetone.

  18. Chemical Atmosphere-Snow-Sea Ice Interactions: defining future research in the field, lab and modeling

    Science.gov (United States)

    Frey, Markus

    2015-04-01

    The air-snow-sea ice system plays an important role in the global cycling of nitrogen, halogens, trace metals or carbon, including greenhouse gases (e.g. CO2 air-sea flux), and therefore influences also climate. Its impact on atmospheric composition is illustrated for example by dramatic ozone and mercury depletion events which occur within or close to the sea ice zone (SIZ) mostly during polar spring and are catalysed by halogens released from SIZ ice, snow or aerosol. Recent field campaigns in the high Arctic (e.g. BROMEX, OASIS) and Antarctic (Weddell sea cruises) highlight the importance of snow on sea ice as a chemical reservoir and reactor, even during polar night. However, many processes, participating chemical species and their interactions are still poorly understood and/or lack any representation in current models. Furthermore, recent lab studies provide a lot of detail on the chemical environment and processes but need to be integrated much better to improve our understanding of a rapidly changing natural environment. During a 3-day workshop held in Cambridge/UK in October 2013 more than 60 scientists from 15 countries who work on the physics, chemistry or biology of the atmosphere-snow-sea ice system discussed research status and challenges, which need to be addressed in the near future. In this presentation I will give a summary of the main research questions identified during this workshop as well as ways forward to answer them through a community-based interdisciplinary approach.

  19. The complex interaction between marine debris and toxic chemicals in the ocean.

    Science.gov (United States)

    Engler, Richard E

    2012-11-20

    Marine debris, especially plastic debris, is widely recognized as a global environmental problem. There has been substantial research on the impacts of plastic marine debris, such as entanglement and ingestion. These impacts are largely due to the physical presence of plastic debris. In recent years there has been an increasing focus on the impacts of toxic chemicals as they relate to plastic debris. Some plastic debris acts as a source of toxic chemicals: substances that were added to the plastic during manufacturing leach from plastic debris. Plastic debris also acts as a sink for toxic chemicals. Plastic sorbs persistent, bioaccumulative, and toxic substances (PBTs), such as polychlorinated biphenyls (PCBs) and dioxins, from the water or sediment. These PBTs may desorb when the plastic is ingested by any of a variety of marine species. This broad look at the current research suggests that while there is significant uncertainty and complexity in the kinetics and thermodynamics of the interaction, plastic debris appears to act as a vector transferring PBTs from the water to the food web, increasing risk throughout the marine food web, including humans. Because of the extremely long lifetime of plastic and PBTs in the ocean, prevention strategies are vital to minimizing these risks.

  20. Interactions Between Industrial Yeasts and Chemical Contaminants in Grape Juice Affect Wine Composition Profile

    Directory of Open Access Journals (Sweden)

    Etjen Bizaj

    2014-01-01

    Full Text Available The interaction between four industrial wine yeast strains and grape juice chemical contaminants during alcoholic fermentation was studied. Industrial strains of Saccharomyces cerevisiae (AWRI 0838, S. cerevisiae mutant with low H2S production phenotype (AWRI 1640, interspecies hybrid of S. cerevisiae and S. kudriavzevii (AWRI 1539 and a hybrid of AWRI 1640 and AWRI 1539 (AWRI 1810 were exposed separately to fungicides pyrimethanil (Pyr, 10 mg/L and fenhexamid (Fhx, 10 mg/L, as well as to the most common toxin produced by moulds on grapes, ochratoxin A (OTA, 5 μg/L, during alcoholic fermentation of Vitis vinifera L. cv. Sauvignon blanc juice. Contaminants were found to strongly impair fermentation performance and metabolic activity of all yeast strains studied. The chemical profile of wine was analyzed by HPLC (volatile acidity, concentrations of ethanol, fructose, glucose, glycerol and organic acids and the aromatic profile was analyzed using a stable isotope dilution technique using GC/MS (ethyl esters, acetates and aromatic alcohols and Kitagawa tubes (H2S. The chemical composition of wine with added contaminants was in all cases significantly different from the control. Of particular note is that the quantity of aromatic compounds produced by yeast was significantly lower. Yeast’s capacity to remove contaminants from wine at the end of the alcoholic fermentation, and after extended contact (7 days was determined. All the strains were able to remove contaminants from the media, moreover, after extended contact, the concentration of contaminants was in most cases lower.

  1. Chemical interaction of B4C, B, and C with Mo/Si layered structures

    International Nuclear Information System (INIS)

    Rooij-Lohmann, V. I. T. A. de; Veldhuizen, L. W.; Zoethout, E.; Yakshin, A. E.; Kruijs, R. W. E. van de; Thijsse, B. J.; Gorgoi, M.; Schaefers, F.; Bijkerk, F.

    2010-01-01

    To enhance the thermal stability, B 4 C diffusion barrier layers are often added to Mo/Si multilayer structures for extreme ultraviolet optics. Knowledge about the chemical interaction between B 4 C and Mo or Si, however is largely lacking. Therefore, the chemical processes during annealing up to 600 deg. C of a Mo/B 4 C/Si layered structure have been investigated in situ with hard x-ray photoelectron spectroscopy and ex situ with depth profiling x-ray photoelectron spectroscopy. Mo/B/Si and Mo/C/Si structures have also been analyzed as reference systems. The chemical processes in these systems have been identified, with two stages being distinguished. In the first stage, B and C diffuse and react predominantly with Mo. MoSi x forms in the second stage. If the diffusion barrier consists of C or B 4 C, a compound forms that is stable up to the maximum probed temperature and annealing time. We suggest that the diffusion barrier function of B 4 C interlayers as reported in literature can be caused by the stability of the formed compound, rather than by the stability of B 4 C itself.

  2. Irradiation and lithium presence influence on the crystallographic nature of zirconia in the framework of PWR zircaloy 4 fuel cladding corrosion study; Influence de l'irradiation et de la presence du lithium sur la nature cristallographique de la zircone dans le cadre de l'etude de la corrosion du zircaloy 4 en milieu reacteur a eau pressurisee

    Energy Technology Data Exchange (ETDEWEB)

    Gibert, C

    1999-07-01

    The-increasing deterioration of the initially protective zirconia layer is one of the hypotheses which can explain the impairment with time of PWR fuel cladding corrosion. This deterioration could be worsened by irradiation or lithium presence in the oxidizing medium. The aim of this thesis was to underline the influence of those two parameters on zirconia crystallographic nature. We first studied the impact of ionic irradiation on pure, powdery, monoclinic zirconia and oxidation formed zirconia, mainly with X-ray diffraction and Raman microscopy. The high or low energy particles used (Kr{sup n+-}, Ar{sup n+}) respectively favored electronic or atomic defaults production. The crystallographic analyses showed that these irradiation have a significant effect on zirconia by inducing nucleation or growth of tetragonal phase. The extent depends on sample nature and particles energy. In all cases, phase transformation is correlated with crystalline parameters, grain size and especially micro-stress changes. The results are consistent with those obtained with 1 to 5 cycles PWR claddings. Therefore, the corrosion acceleration observed in reactor can partly be explained by the stress fields appearance under irradiation, which is particularly detrimental to zirconia layer cohesion. Last, we have underlined that the presence of considerable amounts of lithium in the oxidizing medium ((> 700 ppm) induces the disappearance of the tetragonal zirconia located at the metal/oxide interface and the appearance of a porosity of the dense under layer, which looses its protectiveness. (author)

  3. Irradiation and lithium presence influence on the crystallographic nature of zirconia in the framework of PWR zircaloy 4 fuel cladding corrosion study; Influence de l'irradiation et de la presence du lithium sur la nature cristallographique de la zircone dans le cadre de l'etude de la corrosion du zircaloy 4 en milieu reacteur a eau pressurisee

    Energy Technology Data Exchange (ETDEWEB)

    Gibert, C

    1999-07-01

    The-increasing deterioration of the initially protective zirconia layer is one of the hypotheses which can explain the impairment with time of PWR fuel cladding corrosion. This deterioration could be worsened by irradiation or lithium presence in the oxidizing medium. The aim of this thesis was to underline the influence of those two parameters on zirconia crystallographic nature. We first studied the impact of ionic irradiation on pure, powdery, monoclinic zirconia and oxidation formed zirconia, mainly with X-ray diffraction and Raman microscopy. The high or low energy particles used (Kr{sup n+-}, Ar{sup n+}) respectively favored electronic or atomic defaults production. The crystallographic analyses showed that these irradiation have a significant effect on zirconia by inducing nucleation or growth of tetragonal phase. The extent depends on sample nature and particles energy. In all cases, phase transformation is correlated with crystalline parameters, grain size and especially micro-stress changes. The results are consistent with those obtained with 1 to 5 cycles PWR claddings. Therefore, the corrosion acceleration observed in reactor can partly be explained by the stress fields appearance under irradiation, which is particularly detrimental to zirconia layer cohesion. Last, we have underlined that the presence of considerable amounts of lithium in the oxidizing medium ((> 700 ppm) induces the disappearance of the tetragonal zirconia located at the metal/oxide interface and the appearance of a porosity of the dense under layer, which looses its protectiveness. (author)

  4. Improving aerosol interaction with clouds and precipitation in a regional chemical weather modeling system

    Science.gov (United States)

    Zhou, C.; Zhang, X.; Gong, S.; Wang, Y.; Xue, M.

    2016-01-01

    A comprehensive aerosol-cloud-precipitation interaction (ACI) scheme has been developed under a China Meteorological Administration (CMA) chemical weather modeling system, GRAPES/CUACE (Global/Regional Assimilation and PrEdiction System, CMA Unified Atmospheric Chemistry Environment). Calculated by a sectional aerosol activation scheme based on the information of size and mass from CUACE and the thermal-dynamic and humid states from the weather model GRAPES at each time step, the cloud condensation nuclei (CCN) are interactively fed online into a two-moment cloud scheme (WRF Double-Moment 6-class scheme - WDM6) and a convective parameterization to drive cloud physics and precipitation formation processes. The modeling system has been applied to study the ACI for January 2013 when several persistent haze-fog events and eight precipitation events occurred.The results show that aerosols that interact with the WDM6 in GRAPES/CUACE obviously increase the total cloud water, liquid water content, and cloud droplet number concentrations, while decreasing the mean diameters of cloud droplets with varying magnitudes of the changes in each case and region. These interactive microphysical properties of clouds improve the calculation of their collection growth rates in some regions and hence the precipitation rate and distributions in the model, showing 24 to 48 % enhancements of threat score for 6 h precipitation in almost all regions. The aerosols that interact with the WDM6 also reduce the regional mean bias of temperature by 3 °C during certain precipitation events, but the monthly means bias is only reduced by about 0.3 °C.

  5. Improving aerosol interaction with clouds and precipitation in a regional chemical weather modeling system

    Directory of Open Access Journals (Sweden)

    C. Zhou

    2016-01-01

    Full Text Available A comprehensive aerosol–cloud–precipitation interaction (ACI scheme has been developed under a China Meteorological Administration (CMA chemical weather modeling system, GRAPES/CUACE (Global/Regional Assimilation and PrEdiction System, CMA Unified Atmospheric Chemistry Environment. Calculated by a sectional aerosol activation scheme based on the information of size and mass from CUACE and the thermal-dynamic and humid states from the weather model GRAPES at each time step, the cloud condensation nuclei (CCN are interactively fed online into a two-moment cloud scheme (WRF Double-Moment 6-class scheme – WDM6 and a convective parameterization to drive cloud physics and precipitation formation processes. The modeling system has been applied to study the ACI for January 2013 when several persistent haze-fog events and eight precipitation events occurred.The results show that aerosols that interact with the WDM6 in GRAPES/CUACE obviously increase the total cloud water, liquid water content, and cloud droplet number concentrations, while decreasing the mean diameters of cloud droplets with varying magnitudes of the changes in each case and region. These interactive microphysical properties of clouds improve the calculation of their collection growth rates in some regions and hence the precipitation rate and distributions in the model, showing 24 to 48 % enhancements of threat score for 6 h precipitation in almost all regions. The aerosols that interact with the WDM6 also reduce the regional mean bias of temperature by 3 °C during certain precipitation events, but the monthly means bias is only reduced by about 0.3 °C.

  6. Tribochemical interaction between nanoparticles and surfaces of selective layer during chemical mechanical polishing

    International Nuclear Information System (INIS)

    Ilie, Filip

    2013-01-01

    Nanoparticles have been widely used in polish slurries such as those in the chemical mechanical polishing (CMP) process. For understanding the mechanisms of CMP, an atomic force microscope (AFM) is used to characterize polished surfaces of selective layers, after a set of polishing experiments. To optimize the CMP polishing process, one needs to get information on the interaction between the nano-abrasive slurry nanoparticles and the surface of selective layer being polished. The slurry used in CMP process of the solid surfaces is slurry with large nanoparticle size colloidal silica sol nano-abrasives. Silica sol nano-abrasives with large nanoparticle are prepared and characterized by transmission electron microscopy, particles colloidal size, and Zeta potential in this paper. The movement of nanoparticles in liquid and the interaction between nanoparticles and solid surfaces coating with selective layer are very important to obtain an atomic alloy smooth surface in the CMP process. We investigate the nanoparticle adhesion and removal processes during CMP and post-CMP cleaning. The mechanical interaction between nanoparticles and the wafer surface was studied using a microcontact wear model. This model considers the nanoparticle effects between the polishing interfaces during load balancing. Experimental results on polishing and cleaning are compared with numerical analysis. This paper suggests that during post-CMP cleaning, a combined effort in chemical and mechanical interaction (tribochemical interactions) would be effective in removal of small nanoparticles during cleaning. For large nanoparticles, more mechanical forces would be more effective. CMP results show that the removal rate has been improved to 367 nm/min and root mean square (RMS) of roughness has been reduced from 4.4 to 0.80 nm. Also, the results show that the silica sol nano-abrasives about 100 nm are of higher stability (Zeta potential is −65 mV) and narrow distribution of nanoparticle

  7. Analyses on the U-Mo/Al Chemical Interaction and the Effects of Diffusion Barrier Coatings

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Ho Jin; Kim, Woo Jeong; Cho, Woo Hyung; Jeong, Yong Jin; Lee, Yoon Sang; Park, Jong Man; Kim, Chang Kyu [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2012-05-15

    While many HEU-fueled research reactors have been converted by adopting LEU U{sub 3}Si{sub 2} fuel in harmony with the Reduced Enrichment for Research and Test Reactors (RERTR) program, some high performance research reactors still need the development of advanced fuels with higher uranium densities. Currently, gamma-phase U-Mo alloys are considered promising candidates to be used as high uranium density fuel for the high performance reactors. For the production of UMo alloy powder, the centrifugal atomization technology developed by KAERI has been considered the most promising way because of high yield production and excellent powder quality when compared with other possible methods such as grinding, machining or hydriding-dehydriding. However, severe pore formation associated with an extensive interaction between the U-Mo and Al matrix, although the irradiation performance of U-Mo itself showed most stable, delay the fuel qualification of UMo fuel for high performance research reactors. Because the reaction products, i.e. uranium aluminides (UAlx), is less dense than the mixed reactants, the volume of the fuel meat increases after formation of interaction layer(IL). In addition to the impact on the swelling performance, the reaction layers between the U-Mo and Al matrix induces a degradation of the thermal conductivities of the U-Mo/Al dispersion fuels. The chemical interaction between the U-Mo and Al matrix are analyzed in this study to find remedies to reduce the growth of the interaction layers during irradiation. In addition, various coating technologies for the formation of diffusion barriers on U-Mo particles are proposed as a result of the analyses

  8. Differential reconstructed gene interaction networks for deriving toxicity threshold in chemical risk assessment.

    Science.gov (United States)

    Yang, Yi; Maxwell, Andrew; Zhang, Xiaowei; Wang, Nan; Perkins, Edward J; Zhang, Chaoyang; Gong, Ping

    2013-01-01

    Pathway alterations reflected as changes in gene expression regulation and gene interaction can result from cellular exposure to toxicants. Such information is often used to elucidate toxicological modes of action. From a risk assessment perspective, alterations in biological pathways are a rich resource for setting toxicant thresholds, which may be more sensitive and mechanism-informed than traditional toxicity endpoints. Here we developed a novel differential networks (DNs) approach to connect pathway perturbation with toxicity threshold setting. Our DNs approach consists of 6 steps: time-series gene expression data collection, identification of altered genes, gene interaction network reconstruction, differential edge inference, mapping of genes with differential edges to pathways, and establishment of causal relationships between chemical concentration and perturbed pathways. A one-sample Gaussian process model and a linear regression model were used to identify genes that exhibited significant profile changes across an entire time course and between treatments, respectively. Interaction networks of differentially expressed (DE) genes were reconstructed for different treatments using a state space model and then compared to infer differential edges/interactions. DE genes possessing differential edges were mapped to biological pathways in databases such as KEGG pathways. Using the DNs approach, we analyzed a time-series Escherichia coli live cell gene expression dataset consisting of 4 treatments (control, 10, 100, 1000 mg/L naphthenic acids, NAs) and 18 time points. Through comparison of reconstructed networks and construction of differential networks, 80 genes were identified as DE genes with a significant number of differential edges, and 22 KEGG pathways were altered in a concentration-dependent manner. Some of these pathways were perturbed to a degree as high as 70% even at the lowest exposure concentration, implying a high sensitivity of our DNs approach

  9. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  10. Vaporization of chemical species and the production of aerosols during a core debris/concrete interaction

    International Nuclear Information System (INIS)

    Butland, A.T.D.; Mignanelli, M.A.; Potter, P.E.; Smith, P.N.

    1987-01-01

    The equilibrium chemical composition within gas bubbles sparging through isothermal molten corium-concrete mixtures has been evaluated theoretically. A series of sensitivity calculations gives some insight into a number of factors which are of importance in determining the radionuclide and non-radioactive releases during core-concrete interaction. The degree of mixing or layering of the pool has turned out to be of paramount importance in determining the magnitudes of the releases. The presence of unoxidized zirconium in the melt tends to enhance the release of a number of species and the type of concrete used for the base mat can have a significant effect. The predictions can be sensitive to the thermodynamic data used in the calculations. The vaporization of various species into the gas bubbles can require large amounts of heat; the loss of this heat from the melt can have an effect on the extent of the vaporization

  11. Interaction between benzenedithiolate and gold: Classical force field for chemical bonding

    Science.gov (United States)

    Leng, Yongsheng; Krstić, Predrag S.; Wells, Jack C.; Cummings, Peter T.; Dean, David J.

    2005-06-01

    We have constructed a group of classical potentials based on ab initio density-functional theory (DFT) calculations to describe the chemical bonding between benzenedithiolate (BDT) molecule and gold atoms, including bond stretching, bond angle bending, and dihedral angle torsion involved at the interface between the molecule and gold clusters. Three DFT functionals, local-density approximation (LDA), PBE0, and X3LYP, have been implemented to calculate single point energies (SPE) for a large number of molecular configurations of BDT-1, 2 Au complexes. The three DFT methods yield similar bonding curves. The variations of atomic charges from Mulliken population analysis within the molecule/metal complex versus different molecular configurations have been investigated in detail. We found that, except for bonded atoms in BDT-1, 2 Au complexes, the Mulliken partial charges of other atoms in BDT are quite stable, which significantly reduces the uncertainty in partial charge selections in classical molecular simulations. Molecular-dynamics (MD) simulations are performed to investigate the structure of BDT self-assembled monolayer (SAM) and the adsorption geometry of S adatoms on Au (111) surface. We found that the bond-stretching potential is the most dominant part in chemical bonding. Whereas the local bonding geometry of BDT molecular configuration may depend on the DFT functional used, the global packing structure of BDT SAM is quite independent of DFT functional, even though the uncertainty of some force-field parameters for chemical bonding can be as large as ˜100%. This indicates that the intermolecular interactions play a dominant role in determining the BDT SAMs global packing structure.

  12. Boundary layer-shock interaction in hypersonic flows with chemical reaction effects

    International Nuclear Information System (INIS)

    Mirzaei, M.; Shadaram, A.; Jahantigh, N.

    2003-01-01

    In this paper, viscous interaction phenomenon in hypersonic flows with chemical reactions is numerically simulated. Two-dimensional Navier-Stokes equations are solved to simulate this phenomenon. Inviscid fluxes are approximated using Van Leer flux vector splitting method and to increase the accuracy of this approximation, MUSCL approach with Van albada limiters is applied. Chemical reactions are considered to be in equilibrium conditions. With this assumption there is no closed form for equation of state for the gas (air) and relation between thermodynamic properties are calculated from thermodynamic tables. In addition, transport properties (viscosity and conductivity) are functions of two independent thermodynamic properties. These functions are calculated using kinetic theory. To evaluate the performance of the model used in this research, some test cases are studied. First test case is flow over a ramp with various angles. The results of this test case are compared with the results of other numerical methods and the effect of geometry on separation length is studied. The second case is a hypersonic flow over a 15-degree ramp. The results are in good agreement compared with experimental data. In addition, there results are compared with the results of ideal gas (non-reacting flow) calculations. It can be seen that ideal gas assumption for air introduces considerable deviation form experimental data. (author)

  13. Evaluation of physical and chemical properties and their interactions in fat, oil, and grease (FOG) deposits.

    Science.gov (United States)

    Gross, Martin A; Jensen, Jeanette L; Gracz, Hanna S; Dancer, Jens; Keener, Kevin M

    2017-10-15

    Fat, oil and grease (FOG) blockages in sewer systems are a substantial problem in the United States. It has been estimated that over 50% of sewer overflows are a result of FOG blockages. In this work, a thorough laboratory study was undertaken to examine key variables that contribute to FOG deposit formation under controlled conditions. Physical and chemical properties and their interactions were evaluated and conditions that generated deposits that mimicked field FOG deposits were identified. It was found that 96 of the of 128 reaction conditions tested in the laboratory formed FOG deposits with similar physical and chemical characteristics as field FOG deposits. It was also found that FOG deposits can be created through fatty acid crystallization and not just saponification. Furthermore FOG deposits were found to be more complex than previously documented and contain free fatty acids, fatty acid metal salts, triacylglycerol's, diacylglycerol's and, monoacylglycerol's. Lastly it was found that FOG deposits that only contained saturated fatty acids were on average 2.1 times higher yield strength than deposits that contained unsaturated fatty acids. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Interactions between structural and chemical biomimetism in synthetic stem cell niches

    International Nuclear Information System (INIS)

    Nava, Michele M; Raimondi, Manuela T; Credi, Caterina; De Marco, Carmela; Turri, Stefano; Cerullo, Giulio; Osellame, Roberto

    2015-01-01

    Advancements in understanding stem cell functions and differentiation are of key importance for the clinical success of stem-cell-based therapies. 3D structural niches fabricated by two-photon polymerization are a powerful platform for controlling stem cell growth and differentiation. In this paper, we investigate the possibility of further controlling stem cell fate by tuning the mechanical properties of such niches through coating with thin layers of biomimetic hyaluronan-based and gelatin-based hydrogels. We first assess the biocompatibility of chemical coatings and then study the interactions between structural and chemical biomimetism on the response of MSCs in terms of proliferation and differentiation. We observed a clear effect of the hydrogel coating on otherwise identical 3D scaffolds. In particular, in gelatin-coated niches we observed a stronger metabolic activity and commitment toward the osteo-chondral lineage with respect to hyaluronan-coated niches. Conversely, a reduction in the homing effect was observed in all the coated niches, especially in gelatin-coated niches. This study demonstrates the feasibility of controlling independently different mechanical cues, in bioengineered stem cell niches, i.e. the 3D scaffold geometry and the surface stiffness. This will allow, on the one hand, understanding their specific role in stem cell proliferation and differentiation and, on the other hand, finely tuning their synergistic effect. (paper)

  15. Chemical interactions between as-received and pre-oxidized Zircaloy-4 and Inconel-718 at high temperatures

    International Nuclear Information System (INIS)

    Hofmann, P.; Markiewicz, M.

    1994-06-01

    Isothermal reaction experiments were performed in the temperature range of 1000 - 1300 C in order to determine the chemical interactions between Zircaloy-4 fuel rod cladding and Inconel-718 spacer grids of Pressurized Water Reactors (PWR) under severe accident conditions. It was not possible to apply even higher temperatures since fast and complete liquefaction of the components occurred as a result of eutectic interactions during heatup. The liquid reaction products formed enhance and accelerate the degradation of the material couples and the fuel elements, respectively. Only small amounts of Inconel are necessary to liquefy large amounts of Zircaloy. Thin oxide layers on the Zircaloy surface delay the beginning of the chemical interactions with Inconel but cannot prevent them. In this work the reaction kinetics have been determined for the system: as-received and pre-oxidized Zircaloy-4/Inconel 718. The interactions can be described by parabolic rate laws; the Arrhenius equations for the various interactions are given. (orig.) [de

  16. Update on the Search for Chemical Interactions Between the Core and Mantle

    Science.gov (United States)

    Walker, R. J.

    2017-12-01

    Recent tomographic studies provide strong geophysical evidence for deep mantle upwellings, commonly referred to as "plumes", rising from the core-mantle boundary to regions underlying some ocean island basalt occurrences. Nevertheless, the existence of plumes and their association with ocean islands remains questioned by some. In addition, the occurrence and extent of chemical exchange between the core and lowermost mantle remains essentially un-constrained. If some plumes rise from the core-mantle boundary and there has been some level of chemical interaction between the core and mantle at some point in time, then it is possible that plumes could contain a unique chemical or isotopic fingerprint that is characteristic of the core. There is currently no strong evidence supporting this possibility. The short-lived 182Hf→182W (t½ = 9 m.y.) system has been proposed as a geochemical tool for detecting possible core-mantle interactions. Mass balance constraints suggest the 182W/184W and W concentration of the core are 200 ppm lower and 20 times higher, respectively, than the bulk silicate Earth. Recent discovery of negative correlations between 182W/184W and 3He/4He in ocean island basalts (OIB) from Hawaii and Samoa suggests that these volcanic systems may access a primordial component inside the Earth with W-He isotopic characteristics broadly consistent with the core. However, direct contribution of metal from the outer core to a rising plume is inconsistent with the concentrations of highly siderophile elements (HSE) in the isotopically anomalous lavas. In order for the isotopically anomalous W and He to be tied to the core, a transfer mechanism for isotopic signal, other than metal infiltration into the mantle is needed, as is a present day storage site for the signal. The possible existence of one or more basal magma oceans at some points in Earth history present opportunity for isotopic exchange between the lowermost mantle and core, without collateral

  17. Designing Focused Chemical Libraries Enriched in Protein-Protein Interaction Inhibitors using Machine-Learning Methods

    Science.gov (United States)

    Reynès, Christelle; Host, Hélène; Camproux, Anne-Claude; Laconde, Guillaume; Leroux, Florence; Mazars, Anne; Deprez, Benoit; Fahraeus, Robin; Villoutreix, Bruno O.; Sperandio, Olivier

    2010-01-01

    Protein-protein interactions (PPIs) may represent one of the next major classes of therapeutic targets. So far, only a minute fraction of the estimated 650,000 PPIs that comprise the human interactome are known with a tiny number of complexes being drugged. Such intricate biological systems cannot be cost-efficiently tackled using conventional high-throughput screening methods. Rather, time has come for designing new strategies that will maximize the chance for hit identification through a rationalization of the PPI inhibitor chemical space and the design of PPI-focused compound libraries (global or target-specific). Here, we train machine-learning-based models, mainly decision trees, using a dataset of known PPI inhibitors and of regular drugs in order to determine a global physico-chemical profile for putative PPI inhibitors. This statistical analysis unravels two important molecular descriptors for PPI inhibitors characterizing specific molecular shapes and the presence of a privileged number of aromatic bonds. The best model has been transposed into a computer program, PPI-HitProfiler, that can output from any drug-like compound collection a focused chemical library enriched in putative PPI inhibitors. Our PPI inhibitor profiler is challenged on the experimental screening results of 11 different PPIs among which the p53/MDM2 interaction screened within our own CDithem platform, that in addition to the validation of our concept led to the identification of 4 novel p53/MDM2 inhibitors. Collectively, our tool shows a robust behavior on the 11 experimental datasets by correctly profiling 70% of the experimentally identified hits while removing 52% of the inactive compounds from the initial compound collections. We strongly believe that this new tool can be used as a global PPI inhibitor profiler prior to screening assays to reduce the size of the compound collections to be experimentally screened while keeping most of the true PPI inhibitors. PPI-HitProfiler is

  18. Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods.

    Directory of Open Access Journals (Sweden)

    Christelle Reynès

    2010-03-01

    Full Text Available Protein-protein interactions (PPIs may represent one of the next major classes of therapeutic targets. So far, only a minute fraction of the estimated 650,000 PPIs that comprise the human interactome are known with a tiny number of complexes being drugged. Such intricate biological systems cannot be cost-efficiently tackled using conventional high-throughput screening methods. Rather, time has come for designing new strategies that will maximize the chance for hit identification through a rationalization of the PPI inhibitor chemical space and the design of PPI-focused compound libraries (global or target-specific. Here, we train machine-learning-based models, mainly decision trees, using a dataset of known PPI inhibitors and of regular drugs in order to determine a global physico-chemical profile for putative PPI inhibitors. This statistical analysis unravels two important molecular descriptors for PPI inhibitors characterizing specific molecular shapes and the presence of a privileged number of aromatic bonds. The best model has been transposed into a computer program, PPI-HitProfiler, that can output from any drug-like compound collection a focused chemical library enriched in putative PPI inhibitors. Our PPI inhibitor profiler is challenged on the experimental screening results of 11 different PPIs among which the p53/MDM2 interaction screened within our own CDithem platform, that in addition to the validation of our concept led to the identification of 4 novel p53/MDM2 inhibitors. Collectively, our tool shows a robust behavior on the 11 experimental datasets by correctly profiling 70% of the experimentally identified hits while removing 52% of the inactive compounds from the initial compound collections. We strongly believe that this new tool can be used as a global PPI inhibitor profiler prior to screening assays to reduce the size of the compound collections to be experimentally screened while keeping most of the true PPI inhibitors. PPI

  19. Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods.

    Science.gov (United States)

    Reynès, Christelle; Host, Hélène; Camproux, Anne-Claude; Laconde, Guillaume; Leroux, Florence; Mazars, Anne; Deprez, Benoit; Fahraeus, Robin; Villoutreix, Bruno O; Sperandio, Olivier

    2010-03-05

    Protein-protein interactions (PPIs) may represent one of the next major classes of therapeutic targets. So far, only a minute fraction of the estimated 650,000 PPIs that comprise the human interactome are known with a tiny number of complexes being drugged. Such intricate biological systems cannot be cost-efficiently tackled using conventional high-throughput screening methods. Rather, time has come for designing new strategies that will maximize the chance for hit identification through a rationalization of the PPI inhibitor chemical space and the design of PPI-focused compound libraries (global or target-specific). Here, we train machine-learning-based models, mainly decision trees, using a dataset of known PPI inhibitors and of regular drugs in order to determine a global physico-chemical profile for putative PPI inhibitors. This statistical analysis unravels two important molecular descriptors for PPI inhibitors characterizing specific molecular shapes and the presence of a privileged number of aromatic bonds. The best model has been transposed into a computer program, PPI-HitProfiler, that can output from any drug-like compound collection a focused chemical library enriched in putative PPI inhibitors. Our PPI inhibitor profiler is challenged on the experimental screening results of 11 different PPIs among which the p53/MDM2 interaction screened within our own CDithem platform, that in addition to the validation of our concept led to the identification of 4 novel p53/MDM2 inhibitors. Collectively, our tool shows a robust behavior on the 11 experimental datasets by correctly profiling 70% of the experimentally identified hits while removing 52% of the inactive compounds from the initial compound collections. We strongly believe that this new tool can be used as a global PPI inhibitor profiler prior to screening assays to reduce the size of the compound collections to be experimentally screened while keeping most of the true PPI inhibitors. PPI-HitProfiler is

  20. Experimental studies of thermal and chemical interactions between oxide and silicide nuclear fuels with water

    Energy Technology Data Exchange (ETDEWEB)

    farahani, A.A.; Corradini, M.L. [Univ. of Wisconsi, Madison, WI (United States)

    1995-09-01

    Given some transient power/cooling mismatch is a nuclear reactor and its inability to establish the necessary core cooling, energetic fuel-coolant interactions (FCI`s commonly called `vapor explosions`) could occur as a result of the core melting and coolant contact. Although a large number of studies have been done on energetic FCI`s, very few experiments have been performed with the actual fuel materials postulated to be produced in severe accidents. Because of the scarcity of well-characterized FCI data for uranium allows in noncommercial reactors (cermet and silicide fuels), we have conducted a series of experiments to provide a data base for the foregoing materials. An existing 1-D shock-tube facility was modified to handle depleted radioactive materials (U{sub 3}O{sub 8}-Al, and U{sub 3}Si{sub 2}-Al). Our objectives have been to determine the effects of the initial fuel composition and temperature and the driving pressure (triggering) on the explosion work output, dynamic pressures, transient temperatures, and the hydrogen production. Experimental results indicate limited energetics, mainly thermal interactions, for these fuel materials as compared to aluminum where more chemical reactions occur between the molten aluminum and water.

  1. The Nature of the Interactions in Triethanolammonium-Based Ionic Liquids. A Quantum Chemical Study.

    Science.gov (United States)

    Fedorova, Irina V; Safonova, Lyubov P

    2018-05-10

    Structural features and interionic interactions play a crucial role in determining the overall stability of ionic liquids and their physicochemical properties. Therefore, we performed high-level quantum-chemical study of different cation-anion pairs representing the building units of protic ionic liquids based on triethanolammonium cation and anions of sulfuric, nitric, phosphoric, and phosphorus acids to provide essential insight into these phenomena at the molecular level. It was shown that every structure is stabilized through multiple H bonds between the protons in the N-H and O-H groups of the cation and different oxygen atoms of the anion acid. Using atoms in molecules topological parameters and natural bond orbital analysis, we determined the nature and strength of these interactions. Our calculations suggest that the N-H group of the cation has more proton donor-like character than the O-H group that makes the N-H···O hydrogen bonds stronger. A close relation between the binding energies of these ion pairs and experimental melting points was established: the smaller the absolute value of the binding energy between ions, the lower is the melting point.

  2. Structural, energetic and electrical properties of boron nitride nanotubes interacting with DMMP chemical agent

    Energy Technology Data Exchange (ETDEWEB)

    Ganji, M. Darvish, E-mail: ganji_md@yahoo.com [Nanotechnology Research Institute, Faculty of Chemical Engineering, Babol Noshirvani University of Technology, Babol (Iran, Islamic Republic of); Gholian, M.; Mohammadzadeh, S. [Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr (Iran, Islamic Republic of)

    2014-09-30

    Highlights: • ab initio DFT calculations were used for interaction of DMMP with BNNTs. • Full structural optimization was performed for several possible active sites. • Electronic structure of the energetically favorable complexes was analyzed. • The stability of the most stable complex was evaluated at ambient condition. • First-principles calculations showed that DMMP is strongly bound to the small diameter BNNTs. - Abstract: The adsorption of DMMP as an intoxicating chemical warfare agent onto the boron nitride nanotube has been investigated by using density functional theory calculations. Several active sites were considered for both interacting systems and full structural optimization was performed to accurately find the energetically favorable state. It is found that DMMP molecule prefers to be adsorbed strongly on the top site above the B atom of a (5, 0) BNNT with a binding energy of about −103.24 kJ mol{sup −1} and an O–B binding distance of 1.641 Å. We have performed a comparative investigation of BNNTs with different diameters and the results indicate that the DMMP adsorption ability for the side wall of the tubes significantly decreases for higher diameters BNNTs. Furthermore, the adsorption properties of DMMP molecule onto the BNNT have been investigated using the ab initio MD simulation at room temperature. Our result showed that BNNTs facilitates the DMMP detection at ambient conditions for practical applications.

  3. Thermal and chemical interaction of hot liquid sodium with limestone concrete in argon atmosphere

    International Nuclear Information System (INIS)

    Fakir, Charan Parida; Sanjay, Kumar Das; Anil, Kumar Sharma; Ramesh, S.S.; Somayajulu, P.A.; Malarvizhi, B.; Kasinathan, N.; Rajan, M.

    2007-01-01

    Sodium cooled fast breeder reactors (FBRs) may experience accidental leakage of hot liquid sodium in the inert equipment cells and reactor cavity. The leaked sodium at temperature ranging from 120degC to 550degC can come in contact with the sacrificial layer of limestone concrete. In order to study the thermal and chemical impact of sodium on the limestone concrete, five experimental runs were carried out under different test conditions simulating accident scenarios as realistically as possible. In each experimental run, a given mass of liquid sodium preheated to a specified temperature was dumped on the surface of concrete specimen housed in a test vessel with argon atmosphere. The sodium pool formed on the concrete was heated with an immersion heater to maintain the pool temperature at pre-selected level. The temperatures at various strategic locations were continuously monitored throughout the test run. Online measurement of pressure, hydrogen gas and oxygen gas in argon atmosphere was conducted. The solid samples of sodium debris were retrieved from the posttest concrete specimen by manual core drilling device for chemical analysis of reacted and un-reacted sodium. After cleaning the sodium debris, a power-drilling machine was employed to collect powder samples at regular depth interval from the concrete block floor to determine residual free and bound water. This paper presents some of the dominant thermal and chemical features related to structural safety of the concrete. Among the thermal parameters, on-set time and residence period for Energetic Thermal Transients (ETT) along with peak and average heat generation rates are evaluated. Chemical parameters such as rate and extent of water release from concrete, sodium consumption, sodium hydroxide production and sodium emission into argon atmosphere are also elucidated. Physicochemical characteristics of post-test sodium and concrete debris were investigated. Moreover spatial distribution of sodium, free and

  4. CRITIC2: A program for real-space analysis of quantum chemical interactions in solids

    Science.gov (United States)

    Otero-de-la-Roza, A.; Johnson, Erin R.; Luaña, Víctor

    2014-03-01

    We present CRITIC2, a program for the analysis of quantum-mechanical atomic and molecular interactions in periodic solids. This code, a greatly improved version of the previous CRITIC program (Otero-de-la Roza et al., 2009), can: (i) find critical points of the electron density and related scalar fields such as the electron localization function (ELF), Laplacian, … (ii) integrate atomic properties in the framework of Bader’s Atoms-in-Molecules theory (QTAIM), (iii) visualize non-covalent interactions in crystals using the non-covalent interactions (NCI) index, (iv) generate relevant graphical representations including lines, planes, gradient paths, contour plots, atomic basins, … and (v) perform transformations between file formats describing scalar fields and crystal structures. CRITIC2 can interface with the output produced by a variety of electronic structure programs including WIEN2k, elk, PI, abinit, Quantum ESPRESSO, VASP, Gaussian, and, in general, any other code capable of writing the scalar field under study to a three-dimensional grid. CRITIC2 is parallelized, completely documented (including illustrative test cases) and publicly available under the GNU General Public License. Catalogue identifier: AECB_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECB_v2_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: yes No. of lines in distributed program, including test data, etc.: 11686949 No. of bytes in distributed program, including test data, etc.: 337020731 Distribution format: tar.gz Programming language: Fortran 77 and 90. Computer: Workstations. Operating system: Unix, GNU/Linux. Has the code been vectorized or parallelized?: Shared-memory parallelization can be used for most tasks. Classification: 7.3. Catalogue identifier of previous version: AECB_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 157 Nature of problem: Analysis of quantum-chemical

  5. How soil organic matter composition controls hexachlorobenzene-soil-interactions: adsorption isotherms and quantum chemical modeling.

    Science.gov (United States)

    Ahmed, Ashour A; Kühn, Oliver; Aziz, Saadullah G; Hilal, Rifaat H; Leinweber, Peter

    2014-04-01

    Hazardous persistent organic pollutants (POPs) interact in soil with the soil organic matter (SOM) but this interaction is insufficiently understood at the molecular level. We investigated the adsorption of hexachlorobenzene (HCB) on soil samples with systematically modified SOM. These samples included the original soil, the soil modified by adding a hot water extract (HWE) fraction (soil+3 HWE and soil+6 HWE), and the pyrolyzed soil. The SOM contents increased in the order pyrolyzed soilsoilsoil+3 HWEsoil+6 HWE. For the latter three samples this order was also valid for the HCB adsorption. The pyrolyzed soil adsorbed more HCB than the other samples at low initial concentrations, but at higher concentrations the HCB adsorption became weaker than in the samples with HWE addition. This adsorption combined with the differences in the chemical composition between the soil samples suggested that alkylated aromatic, phenol, and lignin monomer compounds contributed most to the HCB adsorption. To obtain a molecular level understanding, a test set has been developed on the basis of elemental analysis which comprises 32 representative soil constituents. The calculated binding energy for HCB with each representative system shows that HCB binds to SOM stronger than to soil minerals. For SOM, HCB binds to alkylated aromatic, phenols, lignin monomers, and hydrophobic aliphatic compounds stronger than to polar aliphatic compounds confirming the above adsorption isotherms. Moreover, quantitative structure-activity relationship (QSAR) of the binding energy with independent physical properties of the test set systems for the first time indicated that the polarizability, the partial charge on the carbon atoms, and the molar volume are the most important properties controlling HCB-SOM interactions. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Microstructural studies on chemical interactions in U-Mo with Al

    International Nuclear Information System (INIS)

    Martins, Ilson Carlos

    2010-01-01

    This research refers to the study of U-Mo alloy as an alternative material for producing nuclear fuel elements with high density of uranium, for research reactors of high performance. The international non-proliferation of nuclear weapons has enrichment level limited to 20% U 23 '5. U-Mo alloys with 6-10 wt% Mo can lead to a density up to 9 gU/cm 3 , inside the fuel core. The MTR fuel element plates are made from briquettes (U-Mo powder + Al) encapsulated in Al plates, then welded and rolled However, the U-Mo alloy is very reactive in the presence of Al. The reaction products of this interaction are undesirable from the standpoint of nuclear usage, since they cause a chemical interaction layer (IL) formed during thermal cycling and exposure to nuclear fission neutrons. As the IL has low thermal conductivity, they may cause structural failure in the fuel element during operation. The present study provides a new preparation technique for interdiffusion pairs made by hot rolling. The U-Mo alloy, in tablet format, is involved by matrix Al-plates, which is sealed and then hot rolled. This way to prepare the diffusion couples is an ideal condition to avoid the oxidation at the contact interface at U-Mo/Al. The hot rolling preparation also simulates the first reduction pass during MTR fuel plate manufacture. We chose to work with a Mo content of 10 wt% in U-Mo alloy to ensure greater phase formation, since this level favors a greater chemical stability in this phase. The Al alloy matrix was used as the AA1050 since it contains small impurity amounts. The interdiffusion couples U-10Mo/AA1050 were thermally treated in two temperature ranges (1500C and 5500C) and three soaking times (5h, 40h and 80h) to simulate the interdiffusion process and formation of chemical interaction layer. The analysis of the interaction layer U-10Mo/AA1050 was made by SEM/EDS and X-ray diffraction. It revealed a general trend of low interdiffusion of Al (about 8 atomic %) inside U-Mo. There was

  7. Chemical Interaction between U(VI) and Eu(III) ions on a Silica Surface

    International Nuclear Information System (INIS)

    Park, K. K.; Cha, W. S.; Cho, H. R.; Im, H. J.; Jung, E. C.

    2010-01-01

    Understanding the chemical behavior of actinide in groundwater flow is important for assessing the possibility of its migration with water flow in the radioactive waste disposal site. Precipitation/ dissolution in groundwater and adsorption/desorption onto a geological solid surface would determine its migration. The sorption in a geochemical system was expected to be a reaction on a naturally equilibrated surface. However, the construction of a waste disposal facility could disturb this equilibrium state, induce a new reaction environment and affect a nanoscopic surface reaction of actinide. Uranium is ubiquitous in the natural environment and a representative element in a nuclear fuel cycle and in a high level radioactive waste. In oxic environments, it is typically present as uranyl oxocation (UO 2 2+ ), which is easily adsorbed and thereby removed from a solution in the near neutral pH range. This adsorption would form a new surface condition to give an unexpected adsorption behavior for other actinide ions. Eu(III) frequently is used as a chemical analogue of Am(III) and Cm(III) in migration chemistry. The adsorption phenomena has been interpreted with the help of a SCM(surface complexation model). Some spectroscopic techniques such as EPR (Electron Paramagnetic Resonance), IR (InfraRed), EXAFS (Extended X-ray Absorption Fine Structure) and TRLFS (Time Resolved Laser Fluorescence Spectroscopy) have been used for the identification of a modeled adsorbing species. In the case of fluorescence elements, TRLFS has advantages over other techniques for its high sensitivity being proportional to laser source intensity and good selectivity depending on specific transition and lifetime. This technique can be applied to a species on a solid surface not absorbing light such as silica. U(VI) and Eu(III) have fluorescente properties reflecting their coordination structure. In this study, the interaction between U(VI) and Eu(III) on a silica surface was studied by a

  8. Seawater-sediment interaction at elevated temperatures and pressures: implications for the near field chemical environment

    International Nuclear Information System (INIS)

    Seyfried, W.E. Jr.; Thornton, E.C.; Janecky, D.R.

    1981-01-01

    Results of four experiments are reported which document chemical exchange and mineralogic modification during seawater-sediment interaction at 200 0 to 300 0 C, 500 bars. Sediments used for this study are from MPG-1 (central North Pacific). Experimental conditions (T, P, W/R) were chosen to be reasonably analogous to conditions which will characterize the near field environment; that is a zone within approximately 1 m of the buried waste canister. In general, the major element chemistry of seawater was similarly modified in all experiments. The aqueous concentrations of Ca, Mg, Sr, and SO 4 decreased and SiO 2 /sub (aq)/, Na, K, and ΣCO 2 increased relative to values in seawater prior to reaction with sediments. pH decreased and remained distinctly acid. Con comitantly significant concentrations of heavy metals entered seawater from the sediments during reaction. Dissolution of Mn-rich phases profoundly affected alteration processes. For example, reaction of MnO 2 components of the smectite-rich sediment (Pacific smectite) with seawater created an unusually oxidizing milieu (fO 2 = 10 -7 74 ), and resulted in dissolution of significant quantities of Au from the reaction cell. Although illite-quartz-Fe-chlorite (sediment B)-seawater interaction also created a relatively oxidizing environment, this environment was not capable of oxidizing Au. Thus, in this regard (oxidation potential) sediment mineralogy exerts a strong influence. Mineralogic modification of sediment B at 200 0 and 300 0 C was minor and characterized by partial dissolution of illite and exchange of Fe for Mg in chlorite. In contrast the smectite-rich sediment, which, prior to reaction with seawater contained a poorly crystalline smectite phase, clinoptilolite, and amorphous material, recrystallized totally to a well defined smectite mineral. Anhydrite was abundantly present amongst the alteration products of all experiments

  9. Mechano-Chemical Interactions at Cement-Geomaterial Interfaces in Repository and Borehole Scenarios

    Science.gov (United States)

    Mohagheghi, J. R.; Dewers, T. A.; Matteo, E. N.; Heath, J. E.; Jove Colon, C. F.; Fuller, T.

    2017-12-01

    A number of factors negatively affect wellbore integrity including interactions at boundaries between cement and surrounding geomaterial. These include mechanical and chemical mechanisms that can lead to wellbore failure. To examine these interactions, potential coupling, and pathways to failure, we discuss progress on an experimental and modeling study involving cement-clay and cement-salt interfaces. A sample shotcrete-bentonite interface from the FEBEX heater test at the Grimsel Test Site in Switzerland is examined using multi-beam scanning electron microscopy (mSEM) at 4 nm resolution over an area 10's of square millimeters. We examine changes in alteration as manifested by pore structural changes as a function of distance from the interface. A parallel effort examines time-dependent changes in interface structure in cement cores in a triaxial coreholder. Cores are exposed to conditions of 70oC, 14 MPa pressure, and small differential loads, with degradation being monitored by effluent pH, pulse-echo ultrasonics, and piston displacement (measuring sample shortening). We will measure the mechanical consequences of interface alteration using nano-indentation. Experimental results are being incorporated as a validation effort in a coupled reactive-transport mechanics model linking the Sandia ALBANY finite element code, the KAYENTA elasto-plastic constitutive model, with the reactive transport code PFLOTRAN. Plans call to apply the model to understanding the evolution of the FEBEX sample, as well as a cement-salt sample from the Waste Isolation Pilot Plant in Carlsbad, New Mexico. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. SAND 2017-8277 A

  10. Climate-chemical interactions and effects of changing atmospheric trace gases

    International Nuclear Information System (INIS)

    Ramanathan, V.; Callis, L.; Cess, R.; Hansen, J.; Isaksen, I.; Lacis, A.; Kuhn, W.; Luther, F.; Mahlman, J.; Reck, R.; Schlesinger, M.

    1992-01-01

    The problem concerning the greenhouse effects of human activities has broadened in scope from the CO 2 -climate problem to the trace gas-climate problem. The climate effects of non-CO 2 trace gases are strongly governed by interactions between chemistry, radiation, and dynamics. The authors discuss in detail the nature of the trace gas radiative heating and describe the importance of radiative-chemical interactions within the troposphere and the stratosphere. They make an assessment of the trace gas effects on troposphere-stratosphere temperature trends for the period covering the preindustrial era to the present and for the next several decades. Non-CO 2 greenhouse gases in the atmosphere are now adding to the greenhouse effect by an amount comparable to the effect of CO 2 . The rate of decadal increase of the total greenhouse forcing is now 3-6 times greater than the mean rate for the period 1850-1960. Time-dependent calculations with a simplified one-dimensional diffusive ocean model suggest that a surface warming about 0.4-0.8 K should have occurred during 1850 to 1980. For the various trace gas scenarios considered in this study, the equilibrium surface warming for the period 1980 to 2030 ranges from 0.8 to 4.1 K. This wide range in the projected warming is due to the range in the assumed scenario as well as due to the threefold uncertainty in the sensitivity of climate models. For the 180-year period from 1850 to 2030, their analysis suggests a trace gas-induced cumulative equilibrium surface warming in the range of 1.5 to 6.1 K

  11. Tidal interaction, star formation and chemical evolution in blue compact dwarf galaxy Mrk 22

    Science.gov (United States)

    Paswan, A.; Omar, A.; Jaiswal, S.

    2018-02-01

    The optical spectroscopic and radio interferometric H I 21 cm-line observations of the blue compact dwarf galaxy Mrk 22 are presented. The Wolf-Rayet (WR) emission-line features corresponding to high ionization lines of He II λ4686 and C IV λ5808 from young massive stars are detected. The ages of two prominent star-forming regions in the galaxy are estimated as ∼10 and ∼ 4 Myr. The galaxy has non-thermal radio deficiency, which also indicates a young starburst and lack of supernovae events from the current star formation activities, consistent with the detection of WR emission-line features. A significant N/O enrichment is seen in the fainter star-forming region. The gas-phase metallicities [12 + log(O/H)] for the bright and faint regions are estimated as 7.98±0.07 and 7.46±0.09, respectively. The galaxy has a large diffuse H I envelop. The H I images reveal disturbed gas kinematics and H I clouds outside the optical extent of the galaxy, indicating recent tidal interaction or merger in the system. The results strongly indicate that Mrk 22 is undergoing a chemical and morphological evolution due to ongoing star formation, most likely triggered by a merger.

  12. Spills of Hydraulic Fracturing Chemicals on Agricultural Topsoil: Biodegradation, Sorption, and Co-contaminant Interactions.

    Science.gov (United States)

    McLaughlin, Molly C; Borch, Thomas; Blotevogel, Jens

    2016-06-07

    Hydraulic fracturing frequently occurs on agricultural land. Yet the extent of sorption, transformation, and interactions among the numerous organic frac fluid and oil and gas wastewater constituents upon environmental release is hardly known. Thus, this study aims to advance our current understanding of processes that control the environmental fate and toxicity of commonly used hydraulic fracturing chemicals. Poly(ethylene glycol) surfactants were completely biodegraded in agricultural topsoil within 42-71 days, but their transformation was impeded in the presence of the biocide glutaraldehyde and was completely inhibited by salt at concentrations typical for oil and gas wastewater. At the same time, aqueous glutaraldehyde concentrations decreased due to sorption to soil and were completely biodegraded within 33-57 days. While no aqueous removal of polyacrylamide friction reducer was observed over a period of 6 months, it cross-linked with glutaraldehyde, further lowering the biocide's aqueous concentration. These findings highlight the necessity to consider co-contaminant effects when we evaluate the risk of frac fluid additives and oil and gas wastewater constituents in agricultural soils in order to fully understand their human health impacts, likelihood for crop uptake, and potential for groundwater contamination.

  13. Plant genotypes affect aboveground and belowground herbivore interactions by changing chemical defense.

    Science.gov (United States)

    Li, Xiaoqiong; Guo, Wenfeng; Siemann, Evan; Wen, Yuanguang; Huang, Wei; Ding, Jianqing

    2016-12-01

    Spatially separated aboveground (AG) and belowground (BG) herbivores are closely linked through shared host plants, and both patterns of AG-BG interactions and plant responses may vary among plant genotypes. We subjected invasive (USA) and native (China) genotypes of tallow tree (Triadica sebifera) to herbivory by the AG specialist leaf-rolling weevil Heterapoderopsis bicallosicollis and/or the root-feeding larvae of flea beetle Bikasha collaris. We measured leaf damage and leaves rolled by weevils, quantified beetle survival, and analyzed flavonoid and tannin concentrations in leaves and roots. AG and BG herbivores formed negative feedbacks on both native and invasive genotypes. Leaf damage by weevils and the number of beetle larvae emerging as adults were higher on invasive genotypes. Beetles reduced weevil damage and weevils reduced beetle larval emergence more strongly for invasive genotypes. Invasive genotypes had lower leaf and root tannins than native genotypes. BG beetles decreased leaf tannins of native genotypes but increased root tannins of invasive genotypes. AG herbivory increased root flavonoids of invasive genotypes while BG herbivory decreased leaf flavonoids. Invasive genotypes had lower AG and BG herbivore resistance, and negative AG-BG herbivore feedbacks were much stronger for invasive genotypes. Lower tannin concentrations explained overall better AG and BG herbivore performances on invasive genotypes. However, changes in tannins and flavonoids affected AG and BG herbivores differently. These results suggest that divergent selection on chemical production in invasive plants may be critical in regulating herbivore performances and novel AG and BG herbivore communities in new environments.

  14. Physico-chemical interactions at the concrete-bitumen interface of nuclear waste repositories

    Directory of Open Access Journals (Sweden)

    Sablayrolles C.

    2013-07-01

    Full Text Available This study investigates the fate of nitrate and organic acids at the bitumenconcrete-steel interface within a repository storage cell for long-lived, intermediatelevel, radioactive wastes. The interface was simulated by a multiphase system in which cementitious matrices (CEM V-paste specimens were exposed to bitumen model leachates consisting of nitrates and acetic acid with and without oxalic acid, chemical compounds likely to be released by bitumen. Leaching experiments were conducted with daily renewal of the solutions in order to accelerate reactions. C-steel chips, simulating the presence of steel in the repository, were added in the systems for some experiments. The concentrations of anions (acetate, oxalate, nitrate, and nitrite and cations (calcium, potassium, ammonium and the pH were monitored over time. Mineralogical changes of the cementitious matrices were analysed by XRD. The results confirmed the stability of nitrates in the absence of steel, whereas, reduction of nitrates was observed in the presence of steel (production of NH4+. The action of acetic acid on the cementitious matrix was similar to that of ordinary leaching; no specific interaction was detected between acetate and cementitious cations. The reaction of oxalic acid with the cementitious phases led to the precipitation of calcium oxalate salts in the outer layer of the matrix. The concentration of oxalate was reduced by 65% inside the leaching medium.

  15. Physico-chemical interactions at the concrete-bitumen interface of nuclear waste repositories

    Science.gov (United States)

    Bertron, A.; Ranaivomanana, H.; Jacquemet, N.; Erable, B.; Sablayrolles, C.; Escadeillas, G.; Albrecht, A.

    2013-07-01

    This study investigates the fate of nitrate and organic acids at the bitumenconcrete-steel interface within a repository storage cell for long-lived, intermediatelevel, radioactive wastes. The interface was simulated by a multiphase system in which cementitious matrices (CEM V-paste specimens) were exposed to bitumen model leachates consisting of nitrates and acetic acid with and without oxalic acid, chemical compounds likely to be released by bitumen. Leaching experiments were conducted with daily renewal of the solutions in order to accelerate reactions. C-steel chips, simulating the presence of steel in the repository, were added in the systems for some experiments. The concentrations of anions (acetate, oxalate, nitrate, and nitrite) and cations (calcium, potassium, ammonium) and the pH were monitored over time. Mineralogical changes of the cementitious matrices were analysed by XRD. The results confirmed the stability of nitrates in the absence of steel, whereas, reduction of nitrates was observed in the presence of steel (production of NH4+). The action of acetic acid on the cementitious matrix was similar to that of ordinary leaching; no specific interaction was detected between acetate and cementitious cations. The reaction of oxalic acid with the cementitious phases led to the precipitation of calcium oxalate salts in the outer layer of the matrix. The concentration of oxalate was reduced by 65% inside the leaching medium.

  16. Studies of chemical interactions between chlorosulphonated polyethylene and nit rile rubber

    Directory of Open Access Journals (Sweden)

    Marković Gordana

    2005-01-01

    Full Text Available Highly polar rubbers interact with each other through their active functional groups via condensation or substitution reactions at high temperature. Chlorosulphonated polyethylene (CSM rubber is a highly reactive rubber, the reactivity of with is due to the -SO2CI groups. When CSM reacts with nit rile rubber (NBR, a chemical reaction takes place between the two rubbers at high temperature. Fourier transform infrared (FTIR studies support that CSM/NBR (50/50 w/w isothermally induces a self cross-linking blend, when cross-linking takes place via the acrylonitrile groups of NBR and the SO2CI groups or the insitu generated allyl chloride moieties of CSM. There is a loss of some -CN groups during cross-linking. This may be due to an attack on the -CN groups by HCI (produced during the heating of CSM in the presence of inherent moisture in the polymers. Amid type of linkage is formed due to cross-linking.

  17. Chemical and mineralogical aspects of water-bentonite interaction in nuclear fuel disposal conditions

    International Nuclear Information System (INIS)

    Melamed, A.; Pitkaenen, P.

    1996-01-01

    In the field of nuclear fuel disposal, bentonite has been selected as the principal sealing and buffer material for placement around waste canisters, forming both a mechanical and chemical barrier between the radioactive waste and the surrounding ground water. Ion exchange and mineral alteration processes were investigated in a laboratory study of the long-term interaction between compacted Na-bentonite (Volclay MX-80) and ground water solutions, conducted under simulated nuclear fuel disposal conditions. The possible alteration of montmorillonite into illite has been a major object of the mineralogical study. However, no analytical evidence was found, that would indicate the formation of this non-expandable clay type. Apparently, the change of montmorillonite from Na- to Ca-rich was found to be the major alteration process in bentonite. In the water, a concentration decrease in Ca, Mg, and K, and an increase in Na, HCO 3 and SO 4 were recorded. The amount of calcium ions available in the water was considered insufficient to account for the recorded formation of Ca-montmorillonite. It is therefore assumed that the accessory Ca-bearing minerals in bentonite provide the fundamental source of these cations, which exchange with sodium during the alteration process. (38 refs.)

  18. Using novel descriptor accounting for ligand-receptor interactions to define and visually explore biologically relevant chemical space.

    Science.gov (United States)

    Rabal, Obdulia; Oyarzabal, Julen

    2012-05-25

    The definition and pragmatic implementation of biologically relevant chemical space is critical in addressing navigation strategies in the overlapping regions where chemistry and therapeutically relevant targets reside and, therefore, also key to performing an efficient drug discovery project. Here, we describe the development and implementation of a simple and robust method for representing biologically relevant chemical space as a general reference according to current knowledge, independently of any reference space, and analyzing chemical structures accordingly. Underlying our method is the generation of a novel descriptor (LiRIf) that converts structural information into a one-dimensional string accounting for the plausible ligand-receptor interactions as well as for topological information. Capitalizing on ligand-receptor interactions as a descriptor enables the clustering, profiling, and comparison of libraries of compounds from a chemical biology and medicinal chemistry perspective. In addition, as a case study, R-groups analysis is performed to identify the most populated ligand-receptor interactions according to different target families (GPCR, kinases, etc.), as well as to evaluate the coverage of biologically relevant chemical space by structures annotated in different databases (ChEMBL, Glida, etc.).

  19. Fundamental problems on immiscibility, crystallization, and chemical interaction between stainless steel 304 and glasses for radioactivewaste glasses

    International Nuclear Information System (INIS)

    Inoue, Tadashi; Yokoyama, Hayaichi

    1982-01-01

    Immiscibility and crystallization, and chemical interaction with stainless steel, SUS 304, which is designed as a canister material, were investigated on non-radioactive glasses with simulated waste of 26.4 wt%. Although glasses whose initial color was black changed to yellow or yellow-brown by heat-treatment at 600 0 C, the change of color was hardly observed by the treatment at 850 0 C. Molybdenum oxide and molybdate were detected in all heat-treated glasses. It was deduced that the compounds were existing as meta-stable particle corresponding to immiscibility particle at 600 0 C and as stable crystallized particle at 850 0 C. The chemical interaction occurred at the interface between glasses and SUS 304, whose surface was attacked by boundary corrosion proceeding to uniform corrosion with increasing temperature and time. Chromium oxide layer was mainly formed in the region suffered chemical interaction. It was deduced that the chemical interaction was moderated due to the formation of protective layer, which mainly consisted of nickel oxide, at the same time as the formation of Cr 2 O 3 layer. (author)

  20. HYPER-­TVT: Development and Implementation of an Interactive Learning Environment for Students of Chemical and Process Engineering

    Science.gov (United States)

    Santoro, Marina; Mazzotti, Marco

    2006-01-01

    Hyper-TVT is a computer-aided education system that has been developed at the Institute of Process Engineering at the ETH Zurich. The aim was to create an interactive learning environment for chemical and process engineering students. The topics covered are the most important multistage separation processes, i.e. fundamentals of separation…

  1. Chemical interactions between as-received and pre-oxidized Zircaloy-4 and stainless steel at high temperatures

    International Nuclear Information System (INIS)

    Hofmann, P.

    1994-05-01

    The chemical reaction behavior between Zircaloy-4 and 1.4919 (AISI 316) stainless steel, which are used in absorber assemblies of Pressurized Water Reactors (PWR) and Boiling Water Reactors (BWR), has been studied in the temperature range 1000 - 1400 C. Zircaloy was used in the as-received, pre-oxidized and oxygen-containing condition. The maximum temperature was limited by the fast and complete liquefaction of the reaction couple as a result of eutectic chemical interactions. Liquefaction of the components occurs below their melting point. The effect of oxygen dissolved in Zircaloy plays an important role in the interaction; oxide layers on the Zircaloy surface delay the chemical interactions with stainless steel but cannot prevent them. Oxygen dissolved in Zircaloy reduces the reaction rates and shift the liquefaction temperature to slightly higher levels. The interaction experiments at the examined temperatures with or without pre-oxidized Zircaloy can be described by parabolic rate laws. The Arrhenius equations for the various conditions of interactions are given. (orig.) [de

  2. Non-Chemical Stressors and Cumulative Risk Assessment: An Overview of Current Initiatives and Potential Air Pollutant Interactions

    Science.gov (United States)

    Lewis, Ari S.; Sax, Sonja N.; Wason, Susan C.; Campleman, Sharan L.

    2011-01-01

    Regulatory agencies are under increased pressure to consider broader public health concerns that extend to multiple pollutant exposures, multiple exposure pathways, and vulnerable populations. Specifically, cumulative risk assessment initiatives have stressed the importance of considering both chemical and non-chemical stressors, such as socioeconomic status (SES) and related psychosocial stress, in evaluating health risks. The integration of non-chemical stressors into a cumulative risk assessment framework has been largely driven by evidence of health disparities across different segments of society that may also bear a disproportionate risk from chemical exposures. This review will discuss current efforts to advance the field of cumulative risk assessment, highlighting some of the major challenges, discussed within the construct of the traditional risk assessment paradigm. Additionally, we present a summary of studies of potential interactions between social stressors and air pollutants on health as an example of current research that supports the incorporation of non-chemical stressors into risk assessment. The results from these studies, while suggestive of possible interactions, are mixed and hindered by inconsistent application of social stress indicators. Overall, while there have been significant advances, further developments across all of the risk assessment stages (i.e., hazard identification, exposure assessment, dose-response, and risk characterization) are necessary to provide a scientific basis for regulatory actions and effective community interventions, particularly when considering non-chemical stressors. A better understanding of the biological underpinnings of social stress on disease and implications for chemical-based dose-response relationships is needed. Furthermore, when considering non-chemical stressors, an appropriate metric, or series of metrics, for risk characterization is also needed. Cumulative risk assessment research will benefit

  3. Fate of Carbofuran and Interaction with Agricultural Chemicals in a Soil-Crop-Water System

    International Nuclear Information System (INIS)

    Koeppe, M.; Lichtenstein, E.P.

    1981-01-01

    Full text: The fate, movement, and metabolism of 14 C-(ring)-carbofuran and its interaction with agricultural chemicals was studied in a soil-corn-water system. Movement of carbofuran through soils occurred under both percolating and non-percolating conditions. Under percolating conditions 49.13% of applied 14 C leached through the soil into the aquaria. Thus, less 14 C-residues were recovered from percolated soils than from nonpercolated soils, 25.85 and 57.90% of applied C, respectively. The control corn contained more than twice as much 14 C-residues as the corn grown under percolating conditions, 22.16 and 10.78% of applied C, respectively. 14 C-(ring)-carbofuran residues added to aquaria containing a layer of lake mud rapidly disappeared from the water and the majority became bound to the lake mud or was metabolized by the Elodea plants to water-soluble or bound 14 C-residues. After 3 weeks incubation 14 C-residues associated with the water, lake mud, Elodea plants and guppies were 2.14, 19.17, 3.65, and 0.19% of applied 14 C, respectively. Initially, the percolated water containing 14 C-residues was toxic to both guppies and Aedes aegypti Linnaeus larvae. However, guppies and Aedes larvae introduced after 9 days incubation survived for the remainder of the experiment. This indicated that toxic 14 C-residues had either degraded to non-toxic compounds or were no longer associated with the water. (author)

  4. Aerosol Chemical Composition and its Effects on Cloud-Aerosol Interactions during the 2007 CHAPS Experiment

    Science.gov (United States)

    Lee, Y.; Alexander, L.; Newburn, M.; Jayne, J.; Hubbe, J.; Springston, S.; Senum, G.; Andrews, B.; Ogren, J.; Kleinman, L.; Daum, P.; Berg, L.; Berkowitz, C.

    2007-12-01

    Chemical composition of submicron aerosol particles was determined using an Aerodyne Time-of-Flight Aerosol Mass Spectrometer (AMS) outfitted on the DOE G-1 aircraft during the Cumulus Humilis Aerosol Processing Study (CHAPS) conducted in Oklahoma City area in June 2007. The primary objective of CHAPS was to investigate the effects of urban emissions on cloud aerosol interactions as a function of processing of the emissions. Aerosol composition was typically determined at three different altitudes: below, in, and above cloud, in both upwind and downwind regions of the urban area. Aerosols were sampled from an isokinetic inlet with an upper size cut-off of ~1.5 micrometer. During cloud passages, the AMS also sampled particles that were dried from cloud droplets collected using a counter-flow virtual impactor (CVI) sampler. The aerosol mass concentrations were typically below 10 microgram per cubic meter, and were dominated by organics and sulfate. Ammonium was often less than required for complete neutralization of sulfate. Aerosol nitrate levels were very low. We noted that nitrate levels were significantly enhanced in cloud droplets compared to aerosols, most likely resulting from dissolution of gaseous nitric acid. Organic to sulfate ratios appeared to be lower in cloud droplets than in aerosols, suggesting cloud condensation nuclei properties of aerosol particles might be affected by loading and nature of the organic components in aerosols. In-cloud formation of sulfate was considered unimportant because of the very low SO2 concentration in the region. A detailed examination of the sources of the aerosol organic components (based on hydrocarbons determined using a proton transfer reaction mass spectrometer) and their effects on cloud formation as a function of atmospheric processing (based on the degree of oxidation of the organic components) will be presented.

  5. AlzhCPI: A knowledge base for predicting chemical-protein interactions towards Alzheimer's disease.

    Directory of Open Access Journals (Sweden)

    Jiansong Fang

    Full Text Available Alzheimer's disease (AD is a complicated progressive neurodegeneration disorder. To confront AD, scientists are searching for multi-target-directed ligands (MTDLs to delay disease progression. The in silico prediction of chemical-protein interactions (CPI can accelerate target identification and drug discovery. Previously, we developed 100 binary classifiers to predict the CPI for 25 key targets against AD using the multi-target quantitative structure-activity relationship (mt-QSAR method. In this investigation, we aimed to apply the mt-QSAR method to enlarge the model library to predict CPI towards AD. Another 104 binary classifiers were further constructed to predict the CPI for 26 preclinical AD targets based on the naive Bayesian (NB and recursive partitioning (RP algorithms. The internal 5-fold cross-validation and external test set validation were applied to evaluate the performance of the training sets and test set, respectively. The area under the receiver operating characteristic curve (ROC for the test sets ranged from 0.629 to 1.0, with an average of 0.903. In addition, we developed a web server named AlzhCPI to integrate the comprehensive information of approximately 204 binary classifiers, which has potential applications in network pharmacology and drug repositioning. AlzhCPI is available online at http://rcidm.org/AlzhCPI/index.html. To illustrate the applicability of AlzhCPI, the developed system was employed for the systems pharmacology-based investigation of shichangpu against AD to enhance the understanding of the mechanisms of action of shichangpu from a holistic perspective.

  6. Interaction between visual and chemical cues in a Liolaemus lizard: a multimodal approach.

    Science.gov (United States)

    Vicente, Natalin S; Halloy, Monique

    2017-12-01

    Multimodal communication involves the use of signals and cues across two or more sensory modalities. The genus Liolaemus (Iguania: Liolaemidae) offers a great potential for studies on the ecology and evolution of multimodal communication, including visual and chemical signals. In this study, we analyzed the response of male and female Liolaemus pacha to chemical, visual and combined (multimodal) stimuli. Using cue-isolation tests, we registered the number of tongue flicks and headbob displays from exposure to signals in each modality. Number of tongue flicks was greater when a chemical stimulus was presented alone than in the presence of visual or multimodal stimuli. In contrast, headbob displays were fewer in number with visual and chemical stimuli alone, but significantly higher in number when combined. Female signallers triggered significantly more tongue flicks than male signallers, suggesting that chemical cues are involved in sexual recognition. We did not find an inhibition between chemical and visual cues. On the contrary, we observed a dominance of the chemical modality, because when presented with visual stimuli, lizards also responded with more tongue flicks than headbob displays. The total response produced by multimodal stimuli was similar to that of the chemical stimuli alone, possibly suggesting non-redundancy. We discuss whether the visual component of a multimodal signal could attract attention at a distance, increasing the effectiveness of transmission and reception of the information in chemical cues. Copyright © 2017 Elsevier GmbH. All rights reserved.

  7. Finite-size, chemical-potential and magnetic effects on the phase transition in a four-fermion interacting model

    Energy Technology Data Exchange (ETDEWEB)

    Correa, E.B.S. [Universidade Federal do Sul e Sudeste do Para, Instituto de Ciencias Exatas, Maraba (Brazil); Centro Brasileiro de Pesquisas Fisicas-CBPF/MCTI, Rio de Janeiro (Brazil); Linhares, C.A. [Universidade do Estado do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro (Brazil); Malbouisson, A.P.C. [Centro Brasileiro de Pesquisas Fisicas-CBPF/MCTI, Rio de Janeiro (Brazil); Malbouisson, J.M.C. [Universidade Federal da Bahia, Instituto de Fisica, Salvador (Brazil); Santana, A.E. [Universidade de Brasilia, Instituto de Fisica, Brasilia, DF (Brazil)

    2017-04-15

    We study effects coming from finite size, chemical potential and from a magnetic background on a massive version of a four-fermion interacting model. This is performed in four dimensions as an application of recent developments for dealing with field theories defined on toroidal spaces. We study effects of the magnetic field and chemical potential on the size-dependent phase structure of the model, in particular, how the applied magnetic field affects the size-dependent critical temperature. A connection with some aspects of the hadronic phase transition is established. (orig.)

  8. Effective Identification of Akt Interacting Proteins by Two-Step Chemical Crosslinking, Co-Immunoprecipitation and Mass Spectrometry

    Science.gov (United States)

    Huang, Bill X.; Kim, Hee-Yong

    2013-01-01

    Akt is a critical protein for cell survival and known to interact with various proteins. However, Akt binding partners that modulate or regulate Akt activation have not been fully elucidated. Identification of Akt-interacting proteins has been customarily achieved by co-immunoprecipitation combined with western blot and/or MS analysis. An intrinsic problem of the method is loss of interacting proteins during procedures to remove non-specific proteins. Moreover, antibody contamination often interferes with the detection of less abundant proteins. Here, we developed a novel two-step chemical crosslinking strategy to overcome these problems which resulted in a dramatic improvement in identifying Akt interacting partners. Akt antibody was first immobilized on protein A/G beads using disuccinimidyl suberate and allowed to bind to cellular Akt along with its interacting proteins. Subsequently, dithiobis[succinimidylpropionate], a cleavable crosslinker, was introduced to produce stable complexes between Akt and binding partners prior to the SDS-PAGE and nanoLC-MS/MS analysis. This approach enabled identification of ten Akt partners from cell lysates containing as low as 1.5 mg proteins, including two new potential Akt interacting partners. None of these but one protein was detectable without crosslinking procedures. The present method provides a sensitive and effective tool to probe Akt-interacting proteins. This strategy should also prove useful for other protein interactions, particularly those involving less abundant or weakly associating partners. PMID:23613850

  9. Quorum sensing is a language of chemical signals and plays an ecological role in algal-bacterial interactions.

    Science.gov (United States)

    Zhou, Jin; Lyu, Yihua; Richlen, Mindy; Anderson, Donald M; Cai, Zhonghua

    2016-01-01

    Algae are ubiquitous in the marine environment, and the ways in which they interact with bacteria are of particular interest in marine ecology field. The interactions between primary producers and bacteria impact the physiology of both partners, alter the chemistry of their environment, and shape microbial diversity. Although algal-bacterial interactions are well known and studied, information regarding the chemical-ecological role of this relationship remains limited, particularly with respect to quorum sensing (QS), which is a system of stimuli and response correlated to population density. In the microbial biosphere, QS is pivotal in driving community structure and regulating behavioral ecology, including biofilm formation, virulence, antibiotic resistance, swarming motility, and secondary metabolite production. Many marine habitats, such as the phycosphere, harbour diverse populations of microorganisms and various signal languages (such as QS-based autoinducers). QS-mediated interactions widely influence algal-bacterial symbiotic relationships, which in turn determine community organization, population structure, and ecosystem functioning. Understanding infochemicals-mediated ecological processes may shed light on the symbiotic interactions between algae host and associated microbes. In this review, we summarize current achievements about how QS modulates microbial behavior, affects symbiotic relationships, and regulates phytoplankton chemical ecological processes. Additionally, we present an overview of QS-modulated co-evolutionary relationships between algae and bacterioplankton, and consider the potential applications and future perspectives of QS.

  10. Chemical composition of sublates (difficultly soluble substances) which form on interaction of polyvalent metal ions with potassium alkylcarboxylate

    International Nuclear Information System (INIS)

    Skrylev, L.D.; Skryleva, T.L.; Sazonova, V.F.

    1996-01-01

    The pH value is considered for its effect on chemical composition of sublates which form on interaction of fatty acid collectors (potassium alkylcarboxylate) with polyvalent ions of Ni, An, Cu and Be. It is shown that interaction of these ions with fatty acid collectors in weakly acid, neutral and weakly alkaline solutions is accompanied by formation of medium soaps. Acid soaps are formed in more acid solutions, while in more alkaline-basic soaps. Domains of stability for medium soaps of Ni, Zn, Cu and Be are determined. 17 refs.; 4 figs

  11. Chemical interactions between aerosols and vapors in the primary circuit of an LWR during a severe accident

    International Nuclear Information System (INIS)

    Wheatley, C.J.

    1988-01-01

    Aerosol formation, agglomeration, convection and deposition within the primary circuit of an LWR during a severe accident significantly affect the transport of fission products, even though they may compose only a small fraction of the aerosol material. Intra-particle and vapor chemical interactions are important to this through mass transfer between the aerosol and vapor. The authors will describe a model that attempts to account for these processes and of the two-way coupling that exists with the thermal hydraulics. They will discuss what agglomeration and deposition mechanisms must be included, alternatives for treating intra-particle chemical interactions, mechanisms of aerosol formation, and methods for solving the resulting equations. Results will be presented that illustrate the importance of treating the two-way coupling and the extent to which disequilibrium between the aerosol and vapor affects fission product behavior

  12. Evaluating the Role of Drone-Produced Chemical Signals in Mediating Social Interactions in Honey Bees (Apis mellifera).

    Science.gov (United States)

    Villar, Gabriel; Wolfson, Megan D; Hefetz, Abraham; Grozinger, Christina M

    2018-01-01

    Pheromones play a critical role in shaping societies of social insects, including honey bees, Apis mellifera. While diverse functions have been ascribed to queen- and worker-produced compounds, few studies have explored the identity and function of male-produced (drone) compounds. However, several lines of evidence suggest that drones engage in a variety of social interactions inside and outside of the colony. Here we elucidate the chemical composition of extracts of the drone mandibular gland, and test the hypothesis that compounds produced in these glands, or a synthetic blend consisting of the six main compounds, mediate drone social interactions in and out of the colony. Drone mandibular glands primarily produce a blend of saturated, unsaturated and methyl branched fatty acids ranging in chain length from nonanoic to docosanoic acids, and both gland extracts and synthetic blends of these chemicals serve to attract drones outside of the hive, but do not attract workers inside the hive. These studies shed light on the role drones and drone-produced chemicals have on mediating social interactions with other drones and highlight their potential importance in communicating with other castes.

  13. Composites Based on Polytetrafluoroethylene and Detonation Nanodiamonds: Filler-Matrix Chemical Interaction and Its Effect on a Composite's Properties

    Science.gov (United States)

    Koshcheev, A. P.; Perov, A. A.; Gorokhov, P. V.; Zaripov, N. V.; Tereshenkov, A. V.; Khatipov, S. A.

    2018-06-01

    Specific properties of PTFE composites filled with ultradisperse detonation diamonds (UDDs) with different surface chemistries are studied. It is found for the first time that filler in the form of UDDs affects not only the rate of PTFE thermal decomposition in vacuum pyrolysis, but also the chemical composition of the products of degradation. The wear resistance of UDD/PTFE composites is shown to depend strongly on the UDD surface chemistry. The presence of UDDs in a PTFE composite is found to result in perfluorocarbon telomeres, released as a readily condensable fraction upon composite pyrolysis. The chemical interaction between PTFE and UDDs, characterized by an increase in the rate of gas evolution and a change in the desorbed gas's composition, is found to occur at temperature as low as 380°C. It is shown that the intensity of this interaction depends on the concentration of oxygen-containing surface groups, the efficiency of UDDs in terms of the composite's wear resistance being reduced due to the presence of these groups. Based on the experimental data, a conclusion is reached about the chemical interaction between UDDs and a PTFE matrix, its dependence on the nanodiamond surface chemistry, and its effect on a composite's tribology.

  14. Application of Coating Technology for Accident Tolerant Fuel Cladding

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyun-Gil; Kim, Il-Hyun; Jung, Yang-Il; Park, Dong-Jun; Park, Jeong-Yong; Koo, Yang-Hyun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-10-15

    To commercialize the ATF cladding concepts, various factors are considered, such as safety under normal and accident conditions, economy for the fuel cycle, and developing development challenges, and schedule. From the proposed concepts, it is known that the cladding coating, FeCrAl alloy, and Zr-Mo claddings are considered as a near/mid-term application, whereas the SiC material is considered as a long-term application. Among them, the benefit of cladding coating on Zr-based alloys is the fuel cycle economy regarding the manufacturing, neutron cross section, and high tritium permeation characteristics. However, the challenge of cladding coating on Zr-based alloys is the lower oxidation resistance and mechanical strength at high-temperature than other concepts. Another important point is the adhesion property between the Zr-based alloy and coating materials. As an improved coating technology compared to a previous study, a 3D laser coating technology supplied with Cr powders is considered to make a coated cladding because it is possible to make a coated layer on the tubular cladding surface by controlling the 3-diminational axis. We are systematically studying the laser beam power, inert gas flow, cooling of the cladding tube, and powder control as key points to develop 3D laser coating technology. After Cr-coating on the Zr-based cladding, ring compression and ring tensile tests were performed to evaluate the adhesion property between a coated layer and Zr-based alloy tube at room temperature (RT), and a high-temperature oxidation test was conducted to evaluate the oxidation behavior at 1200 .deg. C of the coated tube samples. A 3D laser coating method supplied with Cr powders was developed to decrease the high-temperature oxidation rate in a steam environment through a systematic study for various coating parameters, and a Cr-coated Zircaloy-4 cladding tube of 100 mm in length to the axial direction can be successfully manufactured.

  15. Dosimetry methods for fuels, cladding and structural materials

    International Nuclear Information System (INIS)

    Roettger, H.

    1980-01-01

    This volume of the proceedings of the symposium on reactor dosimetry covers the following topics: the metallurgy and dosimetry interface, radiation damage correlations of structural materials and damage analyses techniques, dosimetry for fusion materials, light water reactor pressure vessel surveillance in practice and irradiation experiments, fast reactor and reseach reactor characterization

  16. Test plan for spent fuel cladding containment credit tests

    International Nuclear Information System (INIS)

    Wilson, C.N.

    1983-11-01

    Lawrence Livermore National Laboratory has chosen Westinghouse Hanford Company as a subcontractor to assist them in determining the requirements for successful disposal of spent fuel rods in the proposed Nevada Test Site repository. An initial scoping test, with the objective of determining whether or not the cladding of a breached fuel rod can be given any credit as an effective barrier to radionuclide release, is described in this test plan. 8 references, 2 figures, 4 tables

  17. Effects of stress on swelling in reactor fuel cladding

    International Nuclear Information System (INIS)

    Bates, J.F.; Gilbert, E.R.

    1977-01-01

    The purpose of this report is to describe the effect of stress on swelling in both annealed and 20% cold worked 316 stainless steel. An effect of stress on swelling in irradiated metals has been postulated for some time. Low fluence data confirmed that indeed a tensile stress can increase swelling in irradiated annealed 316 stainless steel and that the maximum swelling occurs at an intermediate stress level which is approximately equal to the proportional elastic limit of the material. The specimens discussed above were examined by transmission electron microscopy and an effect of stress on the microstructure of the annealed and 20% cold worked 316 specimens has been observed. Howver, as yet, copious swelling had not occurred in the 20% cold worked material. Specimens of 20% cold worked 316 fabricated from the same heat of material as those described above have now been irradiated to sufficiently high neutron fluences that swelling has occurred in both the annealed and cold worked conditions. Swelling increases linearly with stress for both materials. However, for solution annealed 316, swelling reaches a maximum at approximately 136 MPa, whereupon further increases in stress result in reduced swelling. It is felt that this reduction in swelling is related to the onset of plastic yielding in the material. The swelling observed in the 20% CW 316 and the solution annealed 316 below the maximum swelling stress can be adequately described by an equation of the form: S = S 0 (1 + Psigma). No strong effect of stress on changing the incubation period associated with void nucleation was found. (Auth.)

  18. Thermal gradient effects on the oxidation of Zircaloy fuel cladding

    International Nuclear Information System (INIS)

    Klein, A.C.; Reyes, J.N. Jr.; Maguire, M.A.

    1990-01-01

    A Thermal Gradient Test Facility (TGTF) has been designed and constructed to measure the thermal gradient effect on pressurized water reactor (PWR) fuel rod cladding. The TGTF includes a heat flux simulator assembly capable of producing a wide range of PWR operating conditions including water flow velocities and temperatures, water chemistry conditions, cladding temperatures, and heat fluxes ranging to 160 W/cm 2 . It is fully instrumented including a large number of thermocouples both inside the water flow channel and inside the cladding. Two test programs are in progress. First, cladding specimens are pre-oxidized in air at 500 deg. C and in 400 deg. C steam for various lengths of time to develop a range of uniform oxide thicknesses from 1 to 60 micrometers. The pre-oxidized specimens are placed in the TGTF to characterize the oxide thermal conductivity under a variety of water flow and heat flux conditions. Second, to overcome the long exposure times required under typical PWR conditions a series of tests with the addition of high concentrations of lithium hydroxide to the water are being considered. Static autoclave tests have been conducted with lithium hydroxide concentrations ranging from 0 to 2 moles per liter at 300, 330, and 360 deg. C for up to 36 hours. Results for zircaloy-4 show a considerable increase in the weight gain for the exposed samples with oxidation rate enhancement factors as high as 70 times that of pure water. Operation of the TGTF with elevated lithium hydroxide levels will yield real-time information concerning the effects of a heat flux on the oxidation kinetics of zircaloy fuel rod cladding. (author). 5 refs, 5 figs, 2 tabs

  19. Centrifugal vacuum casting for fuel cladding tube blanks

    International Nuclear Information System (INIS)

    Zelenskii, V.F.; Neklyudov, I.M.; Chernyi, B.P.; Zeidlits, M.P.; Vanzha, A.F.; Rubashko, V.G.; Ryabchikov, L.N.; Smirnov, Y.K.; Bespalova, V.R.; Mashkarova, V.T.; Rybal'chenko, N.D.

    1990-01-01

    An advanced technique for making tube blanks with an acceptable level of nonmetallic inclusions is vacuum induction melting combined with centrifugal casting, as the latter gives a cylindrical casting having an axial hole, while the cast metal has elevated density and contains fewer nonmetallic inclusions than does the metal cast in a stationary mold. The reduction in the nonmetallic inclusions occurs because of increased rates of floating up in the rotating mold on account of the centrifugal force and the rejection to the inner surface. One can choose the parameters such as the pouring speed, rotational speed, mold cooling, and liquid-metal temperature and can introduce a deoxidizer to remove the nonmetallic inclusions or reduce the grain size of them and produce an appropriate cast structure and obtain a metal whose quality is the same as that on vacuum induction melting with secondary arc remelting. For these purposes, the authors have developed centrifugal-casting machines for use under vacuum or in inert gases with horizontal and vertical mold rotation axes

  20. The laser beam welding test of ODS fuel claddings

    International Nuclear Information System (INIS)

    Uwaba, Tomoyuki; Ukai, Shigeharu

    2004-06-01

    As a alternative method of pressurized resistance welding being currently developed, integrity evaluations for a laser beam welding joint between a ODS cladding tube and a FMS end plug were conducted for the purpose of studying the applicability of the laser beam welding technique to the welding with the lower end plug. The laser beam welding causes blowholes in the welding zone, whose effect on the high cycle fatigue strength of the joint is essential because of the flow-induced vibration during irradiation. The rotary bending tests using specimens with laser beam welding between ODS cladding tubes and FMS end plugs were carried out to evaluate the fatigue strength of the welding joint containing blowholes. The fatigue limit of stress amplitude about 200 MPa from 10 6 -10 7 cycles suggested that the laser beam welding joint had enough strength against the flow-induced vibration. Sizing of blowholes in the welding zone by using a micro X ray CT technique estimated the rate of defect areas due to blowholes at 1-2%. It is likely that the fatigue strength remained nearly unaffected by blowholes because of the no correlation between the breach of the rotary bending test specimen and the rate of defect area. Based on results of tensile test, internal burst test, Charpy impact test and fatigue test of welded zone, including study of allowable criteria of blowholes in the inspection, it is concluded that the laser beam welding can be probably applied to the welding between the ODS cladding tube and the FMS lower end plug. (author)

  1. Statistical mechanical analysis of LMFBR fuel cladding tubes

    International Nuclear Information System (INIS)

    Poncelet, J.-P.; Pay, A.

    1977-01-01

    The most important design requirement on fuel pin cladding for LMFBR's is its mechanical integrity. Disruptive factors include internal pressure from mixed oxide fuel fission gas release, thermal stresses and high temperature creep, neutron-induced differential void-swelling as a source of stress in the cladding and irradiation creep of stainless steel material, corrosion by fission products. Under irradiation these load-restraining mechanisms are accentuated by stainless steel embrittlement and strength alterations. To account for the numerous uncertainties involved in the analysis by theoretical models and computer codes statistical tools are unavoidably requested, i.e. Monte Carlo simulation methods. Thanks to these techniques, uncertainties in nominal characteristics, material properties and environmental conditions can be linked up in a correct way and used for a more accurate conceptual design. (Auth.)

  2. Experimental Setup with Transient Behavior of Fuel Cladding of SFR

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Sang Hun; Kim, Jun Hwan; Kim, June-Hyung; Ryu, Woo Seog; Park, Sang Gyu; Kim, Sung Ho [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-10-15

    Nowadays, in Korea, advanced cladding such as FC92 is developed and its transient behaviors are required for the safety analysis of SFR. Design and safety analyses of sodium-cooled fast reactor (SFR) require understanding fuel pin responses to a wide range of off-normal events. In a loss-of-flow (LOF) or transient over-power (TOP), the temperature of the cladding is rapidly increased above its steady-state service temperature. Transient tests have been performed in sections of fuel pin cladding and a large data base has been established for austenitic stainless steel such as 20% cold-worked 316 SS and ferritic/martensitic steels such as HT9. This paper summarizes the technical status of transient testing facilities and their results. Previous researches showed the transient behaviors of HT9 cladding. For the safety analyses in SFR in Korea, simulated transient tests with newly developed FC92 as well as HT9 cladding are being carried out.

  3. Monitoring the oxidation of nuclear fuel cladding using Raman spectroscopy

    International Nuclear Information System (INIS)

    Mi, Hongyi; Mikael, Solomon; Allen, Todd; Sridharan, Kumar; Butt, Darryl; Blanchard, James P.; Ma, Zhenqiang

    2014-01-01

    In order to observe Zircaloy-4 (Zr-4) cladding oxidation within a spent fuel canister, cladding oxidized in air at 500 °C was investigated by micro-Raman spectroscopy to measure the oxide layer thickness. Systematic Raman scans were performed to study the relationship between typical Raman spectra and various oxide layer thicknesses. The thicknesses of the oxide layers developed for various exposure times were measured by cross-sectional Scanning Electron Microscopy (SEM). The results of this work reveal that each oxide layer thickness has a corresponding typical Raman spectrum. Detailed analysis suggests that the Raman scattering peaks around wave numbers of 180 cm −1 and 630 cm −1 are the best choices for accurately determining the oxide layer thickness. After Gaussian–Lorentzian deconvolution, these two peaks can be quantitatively represented by four peaks. The intensities of the deconvoluted peaks increase consistently as the oxide layer becomes thicker and sufficiently strong signals are produced, allowing one to distinguish the bare and oxidized cladding samples, as well as samples with different oxide layer thicknesses. Hence, a process that converts sample oxide layer thickness to optical signals can be achieved

  4. Experimental determination of fuel-cladding thermal contact resistance

    International Nuclear Information System (INIS)

    Maglic, K.; Zivotic, Z.

    1968-01-01

    Thermal resistance of the UO 2 fuel - Zr-2 cladding was measure by the same experimental apparatus which was used for measuring the thermal conductivity of ceramic fuel. Thermal resistance was measure for a series of heat flux values and the dependence of thermal resistance on the flux is given within in the range from 0.66 W/cm 2 to 13.3 W/cm 2 . The temperature drop on the contact surface was between 39 deg C and 181.7 deg C, proportional to the increase of the heat flux [sr

  5. Zirconium alloy fuel cladding resistant to PCI crack propagation

    International Nuclear Information System (INIS)

    Boyle, R.F.; Foster, J.P.

    1987-01-01

    A nuclear fuel element is described cladding tube comprising: concentric tubular layers of zirconium base alloys; the concentric tubular layers including an inner layer and outer layer; the outer layer metallurgically bonded to the inner layer; the outer layer composed of a first zirconium base alloy characterized by excellent resistance to corrosion caused by exposure to high temperature and pressure aqueous environments; the inner layer composed of a second zirconium base alloy consisting of: about 0.2 to 0.6 wt.% tin, about 0.03 to 0.11 wt.% iron, less than about 0.02 wt.% chromium, up to about 350 ppm oxygen and the remainder being zirconium and incidental impurities, and the inner layer characterized by improved resistance to crack propagation under reactor operating conditions compared to the first zirconium alloy

  6. Advances in appendage joining techniques for PHWR fuel cladding

    International Nuclear Information System (INIS)

    Desai, P.B.; Ray, T.K.; Date, V.G.; Purushotham, D.S.C.

    1995-01-01

    This paper describes work carried out at the BARC on the development of a technique to join tiny appendages (spacers and bearing pads) to thin cladding (before loading of UO 2 pellets) by resistance welding for PHWR fuel assemblies. The work includes qualifying the process for production environment, designing prototype equipment for regular production and quality monitoring. In the first phase of development, welding of appendages on UO 2 loaded elements was successfully developed, and is being used in production. Welding of appendages on to empty clad tubes is a superior technique for several reasons. Many problems associated with development of welding on empty tubes were resolved. work was initiated, in the second phase of the development task, to select a suitable technique to join appendages on empty clad tubes without any collapse of thin clad. Several alternatives were reviewed and assessed such as laser, full face welding, shim welding and shrink fitting ring spacers. Selection of a method using a mandrel and a modified electrode geometry was fully developed. Results were optimized and process development successfully completed. Appropriate weld monitoring techniques were also reviewed for their adaptation. This technique is useful for 19, 22 as well as 37 element assemblies. (author)

  7. Experimental Setup for Reflood Quench of Accident Tolerant Fuel Claddings

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chan; Lee, Kwan Geun; In, Wang Kee [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    The concept of accident tolerant fuel (ATF) is a solution to suppress the hydrogen generation in loss of coolant accident (LOCA) situation without safety injection, which was the critical incident in the severe accident in the Fukushima. The changes in fuel and cladding materials may cause a significant difference in reactor performance in long term operation. Properties in terms of material science and engineering have been tested and showed promising results. However, numerous tests are still required to ensure the design performance and safety. Thermal hydraulic tests including boiling and quenching are partly confirmed, but not yet complete. We have been establishing the experimental setup to confirm the properties in the terms of thermal hydraulics. Design considerations and preliminary tests are introduced in this paper. An experimental setup to test thermal hydraulic characteristics of new ATF claddings are established and tested. The W heater set inside the cladding is working properly, exceeding 690 W/m linear power with thermocouples and insulating ceramic sheaths inside. The coolant injection control was also working in good conditions. The setup is about to complete and going to simulate quenching behavior of the ATF in the LOCA situation.

  8. First results on the effect of fuel-cladding eccentricity

    International Nuclear Information System (INIS)

    Panka, I.; Kereszturi, A.

    2009-01-01

    In the traditional fuel-behaviour or hot channel calculations it is assumed that the fuel pellet is centered within the clad. However, in the real life the pellet could be positioned asymmetrically within the clad, which leads to asymmetric gap conductance and therefore it is worthwhile to investigate the magnitude of the effect on maximal fuel temperature and surface heat flux. In this paper our first experiences are presented on this topic. (Authors)

  9. Statistical mechanical analysis of LMFBR fuel cladding tubes

    International Nuclear Information System (INIS)

    Poncelet, J.-P.; Pay, A.

    1977-01-01

    The most important design requirement on fuel pin cladding for LMFBR's is its mechanical integrity. Disruptive factors include internal pressure from mixed oxide fuel fission gas release, thermal stresses and high temperature creep, neutron-induced differential void-swelling as a source of stress in the cladding and irradiation creep of stainless steel material, corrosion by fission products. Under irradiation these load-restraining mechanisms are accentuated by stainless steel embrittlement and strength alterations. To account for the numerous uncertainties involved in the analysis by theoretical models and computer codes statistical tools are unavoidably requested, i.e. Monte Carlo simulation methods. Thanks to these techniques, uncertainties in nominal characteristics, material properties and environmental conditions can be linked up in a correct way and used for a more accurate conceptual design. First, a thermal creep damage index is set up through a sufficiently sophisticated clad physical analysis including arbitrary time dependence of power and neutron flux as well as effects of sodium temperature, burnup and steel mechanical behavior. Although this strain limit approach implies a more general but time consuming model., on the counterpart the net output is improved and e.g. clad temperature, stress and strain maxima may be easily assessed. A full spectrum of variables are statistically treated to account for their probability distributions. Creep damage probability may be obtained and can contribute to a quantitative fuel probability estimation

  10. Plant exposure chambers for study of toxic chemical-plant interactions (journal version)

    International Nuclear Information System (INIS)

    McFarlane, J.C.; Pfleeger, T.

    1987-01-01

    Chambers for the study of plant uptake and phytotoxicity of toxic, radio-labeled chemicals are described. The chambers are designed to meet the criteria of continuously stirred tank reactors while providing containment for toxic chemicals. They are computer managed and operated within a controlled-environment room. Besides providing controlled conditions within the contained spaces, continuous measurements are made of various environmental parameters and plant transpiration, net photosynthesis, and dark respiration in up to 18 separate chambers

  11. Probes & Drugs portal: an interactive, open data resource for chemical biology

    Czech Academy of Sciences Publication Activity Database

    Škuta, Ctibor; Popr, M.; Muller, Tomáš; Jindřich, Jindřich; Kahle, Michal; Sedlák, David; Svozil, Daniel; Bartůněk, Petr

    2017-01-01

    Roč. 14, č. 8 (2017), s. 758-759 ISSN 1548-7091 R&D Projects: GA MŠk LO1220 Institutional support: RVO:68378050 Keywords : bioactive compound, ,, * chemical probe * chemical biology * portal Subject RIV: EB - Genetics ; Molecular Biology OBOR OECD: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8) Impact factor: 25.062, year: 2016

  12. Conceptual study of multiphase structure of high uranium density alloys to reduce chemical interaction

    International Nuclear Information System (INIS)

    Savchenko, A.

    2014-01-01

    The basic factor that limits the serviceability of fuel elements developing in the framework of RERTR Program (transition from HEU to LEU fuel of research reactors) is interaction between U10Mo fuel and aluminium matrix . Interaction results in extra swelling of fuels, disappearance of a heat conducting matrix, a temperature rise in the fuel centre, penetration porosity, etc. Several methods exist to prevent fuel-matrix interaction. In terms of simplifying fuel element fabrication technology and reducing interaction, doping of fuel is the most optimal version

  13. A Study of Interactions between Mixing and Chemical Reaction Using the Rate-Controlled Constrained-Equilibrium Method

    Science.gov (United States)

    Hadi, Fatemeh; Janbozorgi, Mohammad; Sheikhi, M. Reza H.; Metghalchi, Hameed

    2016-10-01

    The rate-controlled constrained-equilibrium (RCCE) method is employed to study the interactions between mixing and chemical reaction. Considering that mixing can influence the RCCE state, the key objective is to assess the accuracy and numerical performance of the method in simulations involving both reaction and mixing. The RCCE formulation includes rate equations for constraint potentials, density and temperature, which allows taking account of mixing alongside chemical reaction without splitting. The RCCE is a dimension reduction method for chemical kinetics based on thermodynamics laws. It describes the time evolution of reacting systems using a series of constrained-equilibrium states determined by RCCE constraints. The full chemical composition at each state is obtained by maximizing the entropy subject to the instantaneous values of the constraints. The RCCE is applied to a spatially homogeneous constant pressure partially stirred reactor (PaSR) involving methane combustion in oxygen. Simulations are carried out over a wide range of initial temperatures and equivalence ratios. The chemical kinetics, comprised of 29 species and 133 reaction steps, is represented by 12 RCCE constraints. The RCCE predictions are compared with those obtained by direct integration of the same kinetics, termed detailed kinetics model (DKM). The RCCE shows accurate prediction of combustion in PaSR with different mixing intensities. The method also demonstrates reduced numerical stiffness and overall computational cost compared to DKM.

  14. PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions.

    Science.gov (United States)

    Dong, Jie; Yao, Zhi-Jiang; Zhang, Lin; Luo, Feijun; Lin, Qinlu; Lu, Ai-Ping; Chen, Alex F; Cao, Dong-Sheng

    2018-03-20

    With the increasing development of biotechnology and informatics technology, publicly available data in chemistry and biology are undergoing explosive growth. Such wealthy information in these data needs to be extracted and transformed to useful knowledge by various data mining methods. Considering the amazing rate at which data are accumulated in chemistry and biology fields, new tools that process and interpret large and complex interaction data are increasingly important. So far, there are no suitable toolkits that can effectively link the chemical and biological space in view of molecular representation. To further explore these complex data, an integrated toolkit for various molecular representation is urgently needed which could be easily integrated with data mining algorithms to start a full data analysis pipeline. Herein, the python library PyBioMed is presented, which comprises functionalities for online download for various molecular objects by providing different IDs, the pretreatment of molecular structures, the computation of various molecular descriptors for chemicals, proteins, DNAs and their interactions. PyBioMed is a feature-rich and highly customized python library used for the characterization of various complex chemical and biological molecules and interaction samples. The current version of PyBioMed could calculate 775 chemical descriptors and 19 kinds of chemical fingerprints, 9920 protein descriptors based on protein sequences, more than 6000 DNA descriptors from nucleotide sequences, and interaction descriptors from pairwise samples using three different combining strategies. Several examples and five real-life applications were provided to clearly guide the users how to use PyBioMed as an integral part of data analysis projects. By using PyBioMed, users are able to start a full pipelining from getting molecular data, pretreating molecules, molecular representation to constructing machine learning models conveniently. PyBioMed provides

  15. Specific interactions of functionalised gold surfaces with ammonium perchlorate or starch; towards a chemical cartography of their mixture

    Energy Technology Data Exchange (ETDEWEB)

    Mercier, D. [CNRS, UMR CNRS 7609, Laboratoire de Reactivite de Surface, Paris (France); Universite Pierre et Marie Curie - UPMC Paris VI, Laboratoire de Reactivite de Surface, 4 place Jussieu, 75252 Paris Cedex 05 (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France); Mercader, C.; Quere, S.; Hairault, L. [CEA, DAM, Le Ripault, F-37260 Monts (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France); Methivier, C. [CNRS, UMR CNRS 7609, Laboratoire de Reactivite de Surface, Paris (France); Universite Pierre et Marie Curie - UPMC Paris VI, Laboratoire de Reactivite de Surface, 4 place Jussieu, 75252 Paris Cedex 05 (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France); Pradier, C.M., E-mail: claire-Marie.pradier@upmc.fr [CNRS, UMR CNRS 7609, Laboratoire de Reactivite de Surface, Paris (France); Universite Pierre et Marie Curie - UPMC Paris VI, Laboratoire de Reactivite de Surface, 4 place Jussieu, 75252 Paris Cedex 05 (France); Laboratoire de recherche conventionne CEA/UPMC n Degree-Sign 1, Paris (France)

    2012-10-01

    Highlights: Black-Right-Pointing-Pointer Measurements of interactions by Quartz Crystal Microbalance. Black-Right-Pointing-Pointer AFM and CFM measurements, tip functionalisation. Black-Right-Pointing-Pointer Surface nano-imaging. - Abstract: By functionalising gold samples, planar wafers or AFM tips, with an acid- or an amino acid-terminated thiols, mercaptoundecanoic acid (MUA) and homocystein (H-Cyst) respectively, we were able to differentiate the interactions with ammonium perchlorate (AP) and starch (S), two components of a nanocomposition mixture. To do so, the interaction between gold functionalized surfaces and the two targeted compounds have been characterized and quantified by several complementary techniques. Polarisation modulation-infrared spectroscopy (PM-IRRAS), and X-ray photoelectron spectroscopy (XPS), providing chemical analyses of gold surfaces after contacting S or AP, proved that both compounds were retained on MUA or H-Cyst-modified surfaces, but to various extents. Quartz crystal microbalance on-line measurements enabled to monitor the kinetics of interaction and showed distinct differences in the behaviour of MUA and H-Cyst-surfaces towards the two compounds. Having observed that only H-Cyst-modified surfaces enables to get a contrast on the chemical force microscopy (CFM) images, this new result could be well explained by examining the data obtained by combining the above-mentioned surface characterisation techniques.

  16. Interactions between physical, chemical and biological processes in aquatic systems - impacts on receiving waters with different contents of treated wastewater

    International Nuclear Information System (INIS)

    Kreuzinger, N.

    2000-08-01

    Two scenarios have be chosen within this PhD Thesis to describe the integrative key-significance of interactions between most relevant physical, chemical and biological processes in aquatic systems. These two case studies are used to illustrate and describe the importance of a detailed synthesis of biological, physical and chemical interactions in aquatic systems in order to provide relevant protection of water resources and to perform a sound water management. Methods are described to allow a detailed assessment of particular aspects within the complexity of the overall integration and therefore serve as a basis to determine the eventual necessity of proposed water management measures. Regarding the anthropogenic influence of treated wastewater on aquatic systems, one case study focuses on the interactions between emitted waters from a wastewater treatment plant and the resulting immission situation of its receiving water (The receiving water is quantitatively influenced by the treated wastewater by 95 %). This thesis proves that the effluent of wastewater treatment plants operated by best available technology meets the quality standards of running waters for the nutrients nitrogen and phosphorus, carbon-parameters, oxygen-regime and ecotoxicology. Within the second case study the focus is put on interactions between immissions and water usage. The general importance of biological phosphorus precipitation on the trophic situation of aquatic systems is described. Nevertheless, this generally known but within the field of applied limnology so far unrespected process of immobilization of phosphorus could be shown to represent a significant and major impact on phytoplannctotic development and eutrification. (author)

  17. Improving analytical methods for protein-protein interaction through implementation of chemically inducible dimerization

    DEFF Research Database (Denmark)

    Andersen, Tonni Grube; Nintemann, Sebastian; Marek, Magdalena

    2016-01-01

    When investigating interactions between two proteins with complementary reporter tags in yeast two-hybrid or split GFP assays, it remains troublesome to discriminate true-from false-negative results and challenging to compare the level of interaction across experiments. This leads to decreased se...

  18. IFPE/IFA-432, Fission Gas Release, Mechanical Interaction BWR Fuel Rods, Halden

    International Nuclear Information System (INIS)

    Turnbull, J.A.

    1996-01-01

    Description: It contains data from experiments that have been performed at the IFE/OECD Halden Reactor Project, available for use in fuel performance studies. It covers experiments on thermal performance, fission product release, clad properties and pellet clad mechanical interaction. It includes also experimental data relevant to high burn-up behaviour. IFA-432: Measurements of fuel temperature response, fission gas release and mechanical interaction on BWR-type fuel rods up to high burn-ups. The assembly featured several variations in rod design parameters, including fuel type, fuel/cladding gap size, fill gas composition (He and Xe) and fuel stability. It contained 6 BWR-type fuel rods with fuel centre thermocouples at two horizontal planes, rods were also equipped with pressure transducers and cladding extensometers. Only data from 6 rods are compiled here

  19. Wildfire Ash: Chemical Composition, Ash-Soil Interactions and Environmental Impacts

    Science.gov (United States)

    Brook, Anna; Hamzi, Seham; Wittenberg, Lea

    2015-04-01

    produced ash has significant and not always constructive pedological, ecological, hydrological and geomorphological effects and impacts (Shakesby, 2011). Abundant scientific information is assembled either from control fires by collecting samples before and after wildfire event, or conducting laboratory experiments exanimating data under truly isolated conditions (Lugassi et al., 2013). However, an integration and synthesis of the knowledge about ash including deeper understanding of inter-correlation between chemical, physical and morphological compounds in open post-burn environment and its possible interactions in soil formation or impact on soil composition are highly needed. The main aim of the presented study was to advance the science of soil-fire relationship by recognizing the remains ash as a new soil-forming factor, on par with the traditionally recognized factors: parent material, topography, time, climate, organisms, and recently recognized human activity as the sixth factor. This research was conducted to develop new methods to assess impacts and quantify the contributions/influences of post-fire products, mainly ash, on soil composition and soil properties in post-burned environment. We conducted several controlled experiments using 40 soil samples (typical Mediterranean Rendzina soil, pH 6.84, a grayish-brown, humus- and free calcium carbonate- rich, intra-zonal). The samples include bare soils and different types and loads of forest litter, were exposed to different temperatures (200° C, 400° C and 600° C) in a muffle furnace for 2 hours (Pereira et al. 2011) as fire temperature plays a key role in determining ash properties. The ash produced at a low temperatures (50% carbon and retains many of the structural characteristics of the parent material. At higher temperatures, the residue ash is greyish, consisted of very fine particles that preserve almost none of the original structural characteristics of the fuel (Woods and Balfour, 2008) creating

  20. Interaction of silicene with amino acid analogues—from physical to chemical adsorption in gas and solvated phases

    Science.gov (United States)

    Jagvaral, Yesukhei; He, Haiying; Pandey, Ravindra

    2018-01-01

    Silicene is an emerging 2D material, and an understanding of its interaction with amino acids, the basic building blocks of protein, is of fundamental importance. In this paper, we investigate the nature of adsorption of amino-acid analogues on silicene employing density functional theory and an implicit solvation model. Amino acid analogues are defined as CH3-R molecules, where R is the functional group of the amino acid side chain. The calculated results find three distinct groups within the amino-acid analogues considered: (i) group I, which includes MeCH3 and MeSH, interacts with silicene via the van der Waals dispersive terms leading to physisorbed configurations; (ii) group II strongly interacts with silicene forming Si-O/N chemical bonds in the chemisorbed configurations; and (iii) group III, which consists of the phenyl group, interacts with silicene via π-π interactions leading to physisorbed configurations. The results show that the lateral chains of the amino acids intrinsically determine the interactions between protein and silicene at the interface under the given physiological conditions.

  1. Thermal-chemical-mechanical feedback during fluid-rock interactions: Implications for chemical transport and scales of equilibria in the crust

    International Nuclear Information System (INIS)

    Dutrow, Barbara

    2008-01-01

    Our research evaluates the hypothesis that feedback amongst thermal-chemical-mechanical processes operative in fluid-rock systems alters the fluid flow dynamics of the system which, in turn, affects chemical transport and temporal and spatial scales of equilibria, thus impacting the resultant mineral textural development of rocks. Our methods include computational experimentation and detailed analyses of fluid-infiltrated rocks from well-characterized terranes. This work focuses on metamorphic rocks and hydrothermal systems where minerals and their textures are utilized to evaluate pressure (P), temperature (T), and time (t) paths in the evolution of mountain belts and ore deposits, and to interpret tectonic events and the timing of these events. Our work on coupled processes also extends to other areas where subsurface flow and transport in porous media have consequences such as oil and gas movement, geothermal system development, transport of contaminants, nuclear waste disposal, and other systems rich in fluid-rock reactions. Fluid-rock systems are widespread in the geologic record. Correctly deciphering the products resulting from such systems is important to interpreting a number of geologic phenomena. These systems are characterized by complex interactions involving time-dependent, non-linear processes in heterogeneous materials. While many of these interactions have been studied in isolation, they are more appropriately analyzed in the context of a system with feedback. When one process impacts another process, time and space scales as well as the overall outcome of the interaction can be dramatically altered. Our goals to test this hypothesis are: to develop and incorporate algorithms into our 3D heat and mass transport code to allow the effects of feedback to be investigated numerically, to analyze fluid infiltrated rocks from a variety of terranes at differing P-T conditions, to identify subtle features of the infiltration of fluids and/or feedback, and

  2. CHEMICAL INTERACTIONS TO CLEANUP HIGHLY POLLUTED AUTOMOBILE SERVICE STATION WASTEWATER BY BIOADSORPTION-COAGULATION-FLOCCULATION

    Directory of Open Access Journals (Sweden)

    Carlos Banchon

    2017-01-01

    Full Text Available The present study addresses an ecofriendly solution to treat automobile service stations effluents with high concentrations of oily substances, surfactants, organic matter and heavy metals. Bioadsorption using sawdust from pine trees, sugar cane bagasse and coconut coir without any chemical modification removed colloidal contamination up to 70%. Polyaluminium chloride, ferric chloride and polyacrylamide were applied to remove dissolved and colloidal pollutants under saline conditions without change of initial pH. Both bioadsorption and coagulation-flocculation removed up to 97.8% of BOD, COD, surfactants and heavy metals at a saline concentration of 1.5% NaCl. The increase of ionic strength promoted a high sludge index and a representative cost saving in chemicals consumption of almost 70%. High levels of pollution removal with the minimal use of chemicals is herein presented.

  3. Classification of chemical