WorldWideScience

Sample records for complex thermomechanical properties

  1. Constant Electric and Magnetic Fields Effect on the Structuring and Thermomechanical and Thermophysical Properties of Nanocomposites Formed from Pectin-Cu(2+)-Polyethyleneimine Interpolyelectrolyte-Metal Complexes.

    Science.gov (United States)

    Demchenko, V; Shtompel', V; Riabov, S; Lysenkov, E

    2015-12-01

    Applying wide-angle X-ray scattering method, thermomechanical analysis, and differential scanning calorimetry, the structural organization and properties of nanocomposites formed by chemical reduction of Сu(2+) cations in the interpolyelectrolyte-metal complex (pectin-Cu(2+)-polyethyleneimine) under the influence of a constant magnetic and electric fields have been studied. It has been found that the chemical reduction of Cu(2+) cations in the interpolyelectrolyte-metal complex bulk under constant electric and magnetic fields leads to formation of nanocomposite consisting of interpolyelectrolyte complex, including pectin-polyethyleneimine and nanoparticles of the metal Cu phase, whereas nanocomposite with Cu/Cu2O nanoparticles is formed in original state (without any field). It was observed that, under constant field, nanocomposites obtained have higher structural glass-transition temperatures and thermal stability.

  2. Thermomechanical properties of mullitic materials

    Directory of Open Access Journals (Sweden)

    Jan Urbánek

    2017-12-01

    Full Text Available Mechanical tests provide important information about the properties and behaviour of materials. Basic tests include the measurement of flexural strength and in case of refractory materials, the measurement of flexural strength at high temperatures as well. The dependence of flexural strength on the temperature of ceramic materials usually exhibits a constant progression up to a certain temperature, where the material starts to melt and so the curve begins to decline. However, it was discovered that ceramic mullitic material with a 63 wt.% of Al2O3 exhibits a relatively significant maximum level of flexural strength at about 1000 °C and refractory mullitic material with a 60 wt.% of Al2O3 also exhibits a similar maximum level at about 1100 °C. The mentioned maximum is easily reproducible, but it has no connection with the usual changes in structure of material during heating. The maximum was also identified by another measurement, for example from the progression of the dynamic Young’s modulus or from deflection curves. The aim of this work was to analyse and explain the reason for the flexural strength maximum of mullitic materials at high temperatures.

  3. Thermomechanical properties of radiation hardened oligoesteracrylates

    International Nuclear Information System (INIS)

    Lomonosova, N.V.; Chikin, Yu.A.

    1984-01-01

    Thermomechanical properties of radiation hardened oligoesteracrylates are studied by the methods of isothermal heating and thermal mechanics. Films of dimethacrylate of ethylene glycol, triethylene glycol (TGM-3), tetraethylene glycol, tridecaethylene glycol and TGM-3 mixture with methyl methacrylate hardened by different doses (5-150 kGy) using Co 60 installation with a dose rate of 2x10 -3 kGy/s served as a subject of the research. During oligoesteracrylate hargening a space network is formed, chain sections between lattice points of which are in a stressed state. Maximum of deformation is observed at 210-220 deg C on thermomechanical curves of samples hardened by doses > 5 kGy, which form and intensity is dependent on an absorbed dose. Presence of a high-temperature maximum on diaqrams of isometric heating of spatially cross-linked oligoesteracrylates is discovered. High thermal stability of three-dimensional network of radiation hardened oligoesteracrylates provides satisfactory tensile properties (40% of initial strength) in sample testing an elevated temperatures (200-250 deg C)

  4. Atomistic modeling of thermomechanical properties of SWNT/Epoxy nanocomposites

    Science.gov (United States)

    Fasanella, Nicholas; Sundararaghavan, Veera

    2015-09-01

    Molecular dynamics simulations are performed to compute thermomechanical properties of cured epoxy resins reinforced with pristine and covalently functionalized carbon nanotubes. A DGEBA-DDS epoxy network was built using the ‘dendrimer’ growth approach where 75% of available epoxy sites were cross-linked. The epoxy model is verified through comparisons to experiments, and simulations are performed on nanotube reinforced cross-linked epoxy matrix using the CVFF force field in LAMMPS. Full stiffness matrices and linear coefficient of thermal expansion vectors are obtained for the nanocomposite. Large increases in stiffness and large decreases in thermal expansion were seen along the direction of the nanotube for both nanocomposite systems when compared to neat epoxy. The direction transverse to nanotube saw a 40% increase in stiffness due to covalent functionalization over neat epoxy at 1 K whereas the pristine nanotube system only saw a 7% increase due to van der Waals effects. The functionalized SWNT/epoxy nanocomposite showed an additional 42% decrease in thermal expansion along the nanotube direction when compared to the pristine SWNT/epoxy nanocomposite. The stiffness matrices are rotated over every possible orientation to simulate the effects of an isotropic system of randomly oriented nanotubes in the epoxy. The randomly oriented covalently functionalized SWNT/Epoxy nanocomposites showed substantial improvements over the plain epoxy in terms of higher stiffness (200% increase) and lower thermal expansion (32% reduction). Through MD simulations, we develop means to build simulation cells, perform annealing to reach correct densities, compute thermomechanical properties and compare with experiments.

  5. Thermomechanical properties of the silanized-kenaf/polystyrene composites

    Directory of Open Access Journals (Sweden)

    2009-10-01

    Full Text Available In order to improve the poor interfacial adhesion of the kenaf fiber and polystyrene (PS in their composite material, the surface of the kenaf fiber was modified using a synthesized polymeric coupling agent to promote adhesion with PS matrix. The dynamic thermo-mechanical properties of the composite composed of modified kenaf fiber and PS were also investigated. The polymeric coupling agent treatment of the kenaf fiber increased the fiber-matrix interaction through a condensation reaction between alkoxysilane and hydroxyl groups of kenaf cellulose. DMA (Dynamic Mechanical Thermal Analysis results showed that the modified fiber composites have higher E′ and lower tanδ than those with untreated fiber indicating that a greater interfacial interaction between the matrix resin and the fiber. It was also found that the storage modulus increases in proportion with the Si/C ratio on the fiber surface.

  6. Thermo-mechanical properties of SOFC components investigated by a combined method

    DEFF Research Database (Denmark)

    Teocoli, Francesca; Esposito, Vincenzo; Ramousse, Severine

    , and differential thermo-mechanical behavior at each layer. The combination of such factors can have a critical effect on the final shape and microstructure, and on the mechanical integrity. Thermo-mechanical properties and sintering mechanisms of important SOFC materials (CGO, YSZ, ScYSZ) were systematically...

  7. Atomistic modeling of thermomechanical properties of SWNT/Epoxy nanocomposites

    International Nuclear Information System (INIS)

    Fasanella, Nicholas; Sundararaghavan, Veera

    2015-01-01

    Molecular dynamics simulations are performed to compute thermomechanical properties of cured epoxy resins reinforced with pristine and covalently functionalized carbon nanotubes. A DGEBA-DDS epoxy network was built using the ‘dendrimer’ growth approach where 75% of available epoxy sites were cross-linked. The epoxy model is verified through comparisons to experiments, and simulations are performed on nanotube reinforced cross-linked epoxy matrix using the CVFF force field in LAMMPS. Full stiffness matrices and linear coefficient of thermal expansion vectors are obtained for the nanocomposite. Large increases in stiffness and large decreases in thermal expansion were seen along the direction of the nanotube for both nanocomposite systems when compared to neat epoxy. The direction transverse to nanotube saw a 40% increase in stiffness due to covalent functionalization over neat epoxy at 1 K whereas the pristine nanotube system only saw a 7% increase due to van der Waals effects. The functionalized SWNT/epoxy nanocomposite showed an additional 42% decrease in thermal expansion along the nanotube direction when compared to the pristine SWNT/epoxy nanocomposite. The stiffness matrices are rotated over every possible orientation to simulate the effects of an isotropic system of randomly oriented nanotubes in the epoxy. The randomly oriented covalently functionalized SWNT/Epoxy nanocomposites showed substantial improvements over the plain epoxy in terms of higher stiffness (200% increase) and lower thermal expansion (32% reduction). Through MD simulations, we develop means to build simulation cells, perform annealing to reach correct densities, compute thermomechanical properties and compare with experiments. (paper)

  8. Microstructure and Thermomechanical Properties of Magnesium Alloys Castings

    Directory of Open Access Journals (Sweden)

    P. Lichý

    2012-04-01

    Full Text Available Magnesium alloys thanks to their high specific strength have an extensive potential of the use in a number of industrial applications. The most important of them is the automobile industry in particular. Here it is possible to use this group of materials for great numbers of parts from elements in the car interior (steering wheels, seats, etc., through exterior parts (wheels particularly of sporting models, up to driving (engine blocks and gearbox mechanisms themselves. But the use of these alloys in the engine structure has its limitations as these parts are highly thermally stressed. But the commonly used magnesium alloys show rather fast decrease of strength properties with growing temperature of stressing them. This work is aimed at studying this properties both of alloys commonly used (of the Mg-Al-Zn, Mn type, and of that ones used in industrial manufacture in a limited extent (Mg-Al-Sr. These thermomechanical properties are further on complemented with the microstructure analysis with the aim of checking the metallurgical interventions (an effect of inoculation. From the studied materials the test castings were made from which the test bars for the tensile test were subsequently prepared. This test took place within the temperature range of 20°C – 300°C. Achieved results are summarized in the concluding part of the contribution.

  9. Thermophysical and Thermomechanical Properties of Thermal Barrier Coating Systems

    Science.gov (United States)

    Zhu, Dongming; Miller, Robert A.

    2000-01-01

    Thermal barrier coatings have been developed for advanced gas turbine and diesel engine applications to improve engine reliability and fuel efficiency. However, the issue of coating durability under high temperature cyclic conditions is still of major concern. The coating failure is closely related to thermal stresses and oxidation in the coating systems. Coating shrinkage cracking resulting from ceramic sintering and creep at high temperatures can further accelerate the coating failure process. The purpose of this paper is to address critical issues such as ceramic sintering and creep, thermal fatigue and their relevance to coating life prediction. Novel test approaches have been established to obtain critical thermophysical and thermomechanical properties of the coating systems under near-realistic temperature and stress gradients encountered in advanced engine systems. Emphasis is placed on the dynamic changes of the coating thermal conductivity and elastic modulus, fatigue and creep interactions, and resulting failure mechanisms during the simulated engine tests. Detailed experimental and modeling results describing processes occurring in the thermal barrier coating systems provide a framework for developing strategies to manage ceramic coating architecture, microstructure and properties.

  10. Going greener: Synthesis of fully biobased unsaturated polyesters for styrene crosslinked resins with enhanced thermomechanical properties

    Directory of Open Access Journals (Sweden)

    C. S. M. F. Costa

    2017-11-01

    Full Text Available The main goal of this work was the development of fully biobased unsaturated polyesters (UPs that upon crosslinking with unsaturated monomers (UM could lead to greener unsaturated polyester resins (UPRs with similar thermomechanical properties to commercial fossil based UPR. After the successful synthesis of the biobased UPs, those were crosslinked with styrene (Sty, the most commonly used monomer, and the influence of the chemical structure of the UPs on the thermomechanical characteristics of UPRs were evaluated. The properties were compared with those of a commercial resin (Resipur 9837©. The BioUPRs presented high gel contents and contact angles that are similar to the commercial resin. The thermomechanical properties were evaluated by dynamic mechanical thermal analysis (DMTA and it was found that the UPR synthesized using propylene glycol (PG, succinic acid (SuAc and itaconic acid (ItAc presented very close thermomechanical properties compared to the commercial resin.

  11. Thermo-mechanical properties of polystyrene-based shape memory nanocomposites

    NARCIS (Netherlands)

    Xu, B.; Fu, Y.Q.; Ahmad, M.; Luo, J.K.; Huang, W.M.; Kraft, A.; Reuben, R.; Pei, Y.T.; Chen, Zhenguo; Hosson, J.Th.M. De

    2010-01-01

    Shape memory nanocomposites were fabricated using chemically cross-linked polystyrene (PS) copolymer as a matrix and different nanofillers (including alumina, silica and clay) as the reinforcing agents. Their thermo-mechanical properties and shape memory effects were characterized. Experimental

  12. Examination of the Thermo-mechanical Properties of E-Glass/Carbon Composites

    Directory of Open Access Journals (Sweden)

    Hande Sezgin

    2017-12-01

    Full Text Available Eight-ply E-glass, carbon and E-glass/carbon fabric-reinforced polyester based hybrid composites were manufactured in this study. A vacuum infusion system was used as the production method. Dynamic mechanical analysis, thermogravimetric analysis and differential scanning calorimetry analysis were conducted to examine the thermo-mechanical properties of composite samples. The effect of reinforcement type and different stacking sequences of fabric plies on the thermo-mechanical properties of composite samples were also investigated. Results showed that the type and alignment of reinforcement material has a signifi cant effect on the dynamic mechanical properties of composite samples.

  13. Effective thermo-mechanical properties and shape memory effect of CNT/SMP composites

    Science.gov (United States)

    Yang, Qingsheng; Liu, Xia; Leng, Fangfang

    2009-07-01

    Shape memory polymer (SMP) has been applied in many fields as intelligent sensors and actuators. In order to improve the mechanical properties and recovery force of SMP, the addition of minor amounts of carbon nanotubes (CNT) into SMP has attracted wide attention. A micromechanical model and thermo-mechanical properties of CNT/SMP composites were studied in this paper. The thermo-mechanical constitutive relation of intellectual composites with isotropic and transversely isotropic CNT was obtained. Moreover, the shape memory effect of CNT/SMP composites and the effect of temperature and the volume fraction of CNT were discussed. The work shows that CNT/SMP composites exhibit excellent macroscopic thermo-mechanical properties and shape memory effect, while both of them can be affected remarkably by temperature and the microstructure parameters.

  14. Effects of Microstructural Variability on Thermo-Mechanical Properties of a Woven Ceramic Matrix Composite

    Science.gov (United States)

    Goldsmith, Marlana B.; Sankar, Bhavani V.; Haftka, Raphael T.; Goldberg, Robert K.

    2013-01-01

    The objectives of this paper include identifying important architectural parameters that describe the SiC/SiC five-harness satin weave composite and characterizing the statistical distributions and correlations of those parameters from photomicrographs of various cross sections. In addition, realistic artificial cross sections of a 2D representative volume element (RVE) are generated reflecting the variability found in the photomicrographs, which are used to determine the effects of architectural variability on the thermo-mechanical properties. Lastly, preliminary information is obtained on the sensitivity of thermo-mechanical properties to architectural variations. Finite element analysis is used in combination with a response surface and it is shown that the present method is effective in determining the effects of architectural variability on thermo-mechanical properties.

  15. Improvement of thermo-mechanical properties of ceramic materials for nuclear applications

    International Nuclear Information System (INIS)

    Decroix, G.M.; Gosset, D.; Kryger, B.; Boussuge, M.; Burlet, H.

    1994-01-01

    In order to improve the thermo-mechanical properties of materials used as neutron absorbers in nuclear reactors, cermet or cercer have been produced with two original microstructures: micro- or macro-dispersed composites. The composites thermal shock resistance has been evaluated in an image furnace. The microstructures we obtained involve different reinforcement mechanisms, such as crack deflection, crack branching, crack bridging or microcrack toughening, and improvement of thermal conductivity. The results reveal a significant improvement of the thermo-mechanical properties of the boron base neutron absorbers whose fabrication process leads to a macro-dispersed microstructure. (authors). 8 refs., 8 figs., 2 tabs

  16. Contribution of Brazil nut shell fiber and electron-beam irradiation in thermomechanical properties of HDPE

    International Nuclear Information System (INIS)

    Polato, Pamella; Lorusso, Leandro Alex; Souza, Clecia de Moura; Moura, Esperidiana Augusta Barretos de; Chinellato, Anne; Rosa, Ricardo de

    2010-01-01

    In the present work, the influence of electron-beam irradiation on thermo-mechanical properties of HDPE and HDPE/Brazil nut shell fiber composite was investigated. The materials were irradiated at radiation dose 50 kGy using a 1.5 MeV electron beam accelerator, at room temperature in presence of air. The irradiated and non-irradiated samples were submitted to thermo-mechanical tests and the correlation between their properties was discussed. The results showed that the incorporation of Brazil nut shell fiber represented a significant gain (p < 0,05) in tensile strength at break, flexural strength, flexural module, Vicat softening temperature and heat distortion temperature (HDT) properties of the HDPE. In addition, the irradiated HDPE/Brazil nut shell fiber composite presented a significant increase (p < 0.05) in this properties compared with irradiated HDPE. (author)

  17. Influence of thermomechanical treatment on microstructure and properties of electroslag remelted Cu–Cr–Zr alloy

    International Nuclear Information System (INIS)

    Kermajani, M.; Raygan, Sh.; Hanayi, K.; Ghaffari, H.

    2013-01-01

    Highlights: • Effect of ESR process on microstructure of Cu–Cr–Zr alloy was investigated. • The hardness, strength and electrical conductivity are sensitive to thermomechanical treatment. • The microstructure of the alloy can be optimized for obtaining the best combination of mechanical and electrical properties. - Abstract: Effect of thermomechanical treatment (TMT) on aging behavior of electroslag remelted Cu–Cr–Zr alloy was investigated. The relationship between microstructure, mechanical and electrical properties was clarified using hardness, tensile and electrical conductivity testing methods and optical and scanning electron microscopy techniques. The results showed that an appropriate processing and aging treatment may improve the properties of the alloy due to the formation of fine, dispersive and coherent precipitates within the matrix. Indeed, the optimum condition for electrical conductivity and mechanical properties was obtained after cold working of 40% followed by aging at 500 °C for 150 min

  18. Mechanical and thermomechanical properties of polycarbonate-based polyurethane-silica nanocomposites

    Directory of Open Access Journals (Sweden)

    Rafał Poręba

    2011-09-01

    Full Text Available In this work aliphatic polycarbonate-based polyurethane-silica nanocomposites were synthesized and characterized. The influence of the type and of the concentration of nanofiller differing in average particle size (7 nm for Aerosil 380 and 40 nm for Nanosilica 999 on mechanical and thermomechanical properties was investigated. DMTA measurements showed that Nanosilica 999, irrespective of its concentration, slightly increased the value of the storage shear modulus G’ but Aerosil 380 brings about a nearly opposite effect, the shear modulus in the rubber region decreases with increasing filler content. Very high elongations at break ranging from 800% to more than 1000%, as well as high tensile strengths illustrate excellent ultimate tensile properties of the prepared samples. The best mechanical and thermomechanical properties were found for the sample filled with 0.5 wt.% of Nanosilica 999.

  19. Evaluation of thermo-mechanical properties data of carbon-based plasma facing materials

    International Nuclear Information System (INIS)

    Ulrickson, M.; Barabash, V.R.; Matera, R.; Roedig, M.; Smith, J.J.; Janev, R.K.

    1991-03-01

    This Report contains the proceedings, results and conclusions of the work done and the analysis performed during the IAEA Consultants' Meeting on ''Evaluation of thermo-mechanical properties data of carbon-based plasma facing materials'', convened on December 17-21, 1990, at the IAEA Headquarters in Vienna. Although the prime objective of the meeting was to critically assess the available thermo-mechanical properties data for certain types of carbon-based fusion relevant materials, the work of the meeting went well beyond this task. The meeting participants discussed in depth the scope and structure of the IAEA material properties database, the format of data presentation, the most appropriate computerized system for data storage, retrieval, exchange and management. The existing IAEA ALADDIN system was adopted as a convenient tool for this purpose and specific ALADDIN labelling schemes and dictionaries were established for the material properties data. An ALADDIN formatted test-file for the thermo-physical and thermo-mechanical properties of pyrolytic graphite is appended to this Report for illustrative purposes. (author)

  20. PECULIARITIES OF FORMATION OF STRUCTURE AND PROPERTIES AT THERMO-MECHANICAL PROCESSING OF ROLLED WIRE OF NICKEL

    OpenAIRE

    V. A. Lutsenko

    2012-01-01

    There are results of researches of the mechanical properties and structure of the wire rod made of low-carbon nickel molybdenum steel after reduction to toughness thermomechanical treatment in the stream of high-speed wire mill.

  1. Model of mechanical properties change of steel during rolling with use of hightemperature thermomechanical treatment

    International Nuclear Information System (INIS)

    Zhadan, V.T.; Gubenko, V.T.; Bernshtejn, M.L.; Binarskij, M.S.

    1975-01-01

    A mathematical model is proposed of changes in the mechanical properties of the steel-50KHGA in the process of rolling with application of a high-temperature thermomechanical treatment (HTTMT). The model accounts for all the main particularities of the structure formation processes during a high temperature deformation of metals and alloys. The nonmonotonic dependence of the steel mechanical properties on the deformation velocity can be presented as a result of a summary effect of three parallel processes on the formation of these properties: hot working, softening and substructural hardening. The mathematical model has been constructed by the iteration method

  2. Electrical and thermomechanical properties of epoxy-POSS nanocomposites

    Czech Academy of Sciences Publication Activity Database

    Boček, J.; Matějka, Libor; Mentlík, V.; Trnka, P.; Šlouf, Miroslav

    2011-01-01

    Roč. 47, č. 5 (2011), s. 861-872 ISSN 0014-3057 R&D Projects: GA AV ČR IAA400500701 Institutional research plan: CEZ:AV0Z40500505 Keywords : POSS * epoxy nanocomposite * electrical/dielectrical properties Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.739, year: 2011

  3. Microstructure and thermomechanical properties relationship of segmented thermoplastic polyurethane (TPU)

    International Nuclear Information System (INIS)

    Frick, Achim; Borm, Michael; Kaoud, Nouran; Kolodziej, Jan; Neudeck, Jens

    2014-01-01

    Thermoplastic polyurethanes (TPU) are important polymeric materials for seals. In competition with Acrylonitrile butadiene rubbers (NBR), TPU exhibits higher strength and a considerable better abrasion resistance. The advantage of NBR over TPU is a smaller compression set but however TPU excels in its much shorter processing cycle times. Generally a TPU is a block copolymer composed of hard and soft segments, which plays an important role in determining the material properties. TPU can be processed either to ready moulded parts or can be incorporated by multi component moulding, in both cases it shows decent mechanical properties. In the present work, the relationship between melt-process induced TPU morphology and resultant thermo mechanical properties were examined and determined by means of quasi-static tensile test, creep experiment, tension test and dynamical mechanical analysis (DMA). Scanning electron beam microscope (SEM) and differential scanning calorimeter (DSC) were used to study the morphology of the samples. A significant mathematical description of the stress-strain behaviour of TPU was found using a 3 term approach. Moreover it became evident that processing conditions such as processing temperature have crucial influence on morphology as well as short and long-term performance. To be more precise, samples processed at higher temperatures showed a lack of large hard segment agglomerates, a smaller strength for strains up to 250% and higher creep compliance

  4. Microstructure and thermomechanical properties relationship of segmented thermoplastic polyurethane (TPU)

    Science.gov (United States)

    Frick, Achim; Borm, Michael; Kaoud, Nouran; Kolodziej, Jan; Neudeck, Jens

    2014-05-01

    Thermoplastic polyurethanes (TPU) are important polymeric materials for seals. In competition with Acrylonitrile butadiene rubbers (NBR), TPU exhibits higher strength and a considerable better abrasion resistance. The advantage of NBR over TPU is a smaller compression set but however TPU excels in its much shorter processing cycle times. Generally a TPU is a block copolymer composed of hard and soft segments, which plays an important role in determining the material properties. TPU can be processed either to ready moulded parts or can be incorporated by multi component moulding, in both cases it shows decent mechanical properties. In the present work, the relationship between melt-process induced TPU morphology and resultant thermo mechanical properties were examined and determined by means of quasi-static tensile test, creep experiment, tension test and dynamical mechanical analysis (DMA). Scanning electron beam microscope (SEM) and differential scanning calorimeter (DSC) were used to study the morphology of the samples. A significant mathematical description of the stress-strain behaviour of TPU was found using a 3 term approach. Moreover it became evident that processing conditions such as processing temperature have crucial influence on morphology as well as short and long-term performance. To be more precise, samples processed at higher temperatures showed a lack of large hard segment agglomerates, a smaller strength for strains up to 250% and higher creep compliance.

  5. Relationship of dough thermomechanical properties with oil uptake, cooking and textural properties of instant fried noodles.

    Science.gov (United States)

    Gulia, Neelam; Khatkar, B S

    2014-04-01

    Instant noodles were prepared from fifteen diverse wheat cultivars varying widely in their flour quality and dough rheology. Dough thermomechanical parameters obtained by Mixolab and flour analytical properties were correlated with the quality of instant noodles including oil uptake, cooking quality and textural attributes. The Mixolab parameters dough development time and dough stability showed significant positive correlation with cooking time, cooked weight, overall acceptability, hardness, springiness, cohesiveness and chewiness of noodles, while negatively correlated with oil uptake and cooking loss, therefore, exhibiting a marked positive effect on quality of instant noodles. Lower protein breakdown represented by C2 torque was also positively related with overall acceptability, hardness, springiness, cohesiveness and chewiness of noodles. Stickiness/adhesiveness of noodles was revealed to be mainly conferred by falling number values (R (2 )= 0.671) and damaged starch (R (2 )= 0.523) content of wheat flour samples. Flour samples with lesser values of protein content, sodium dodecyl sulphate sedimentation volume, thermal stability of proteins, dough stability and dough development time were found to be linked with poor noodle quality. Medium strong flours performed better in noodle making, while weaker flours demonstrated poor noodle quality. Dough rheology of good noodle making flours was characterized with higher dough development time, dough stability, C2, C3, C4 as well as C5 values. Noodles with higher overall acceptability showed a more continuous and uniform protein starch matrix in comparison to the poor counterparts.

  6. Preparation and thermomechanical properties of Ag-PVA nanocomposite films

    International Nuclear Information System (INIS)

    Gautam, Anurag; Ram, S.

    2010-01-01

    Metal-polymer hybrid nanocomposites have been prepared from an aqueous solution of polyvinyl alcohol (PVA) and silver nitrate (AgNO 3 ). The silver nanoparticles were generated in PVA matrix by the reduction of silver ions with PVA molecule at 60-70 deg. C over magnetic stirrer. UV-vis analysis, X-ray diffraction studies, transmission electron microscopy, scanning electron microscopy and current-voltage analysis were used to characterize the nanocomposite films prepared. The X-ray diffraction analysis reveals that silver metal is present in face centered cubic (fcc) crystal structure. Average crystallite size of silver nanocrystal is 19 nm, which increases to 22 nm on annealing the film at 150 deg. C in air. This result is in good agreement with the result obtained from TEM. The UV-vis spectrum shows a single peak at 433 nm, arising from the surface plasmon absorption of silver nanocolloids. This result clearly indicates that silver nanoparticles are embedded in PVA. An improvement of mechanical properties (storage modulus) was also noticed due to a modification of PVA up to 0.5 wt% of silver content. The current-voltage (I-V) characteristic of nanocomposite films shows increase in current drawn with increasing Ag-content in the films.

  7. AB INITIO Modeling of Thermomechanical Properties of Mo-Based Alloys for Fossil Energy Conversion

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Wai-Yim

    2013-12-31

    In this final scientific/technical report covering the period of 3.5 years started on July 1, 2011, we report the accomplishments on the study of thermo-mechanical properties of Mo-based intermetallic compounds under NETL support. These include computational method development, physical properties investigation of Mo-based compounds and alloys. The main focus is on the mechanical and thermo mechanical properties at high temperature since these are the most crucial properties for their potential applications. In particular, recent development of applying ab initio molecular dynamic (AIMD) simulations to the T1 (Mo{sub 5}Si{sub 3}) and T2 (Mo{sub 5}SiB{sub 2}) phases are highlighted for alloy design in further improving their properties.

  8. EFFECT OF THERMO-MECHANICAL TREATMENT ON PROPERTIES OF PARICA PLYWOODS (Schizolobium amazonicum Huber ex Ducke

    Directory of Open Access Journals (Sweden)

    Mírian de Almeida Costa

    Full Text Available ABSTRACT Thermo-mechanical treatment is a technique for wood modification in which samples are densified by means of heat and mechanical compression, applied perpendicularly to fibers, which under different combinations of time, temperature, and pressure increases wood density and thus improve some of its properties. This study aimed to treat thermo-mechanically parica plywood and observe the effects on its physical and mechanical properties. Specimens were submitted to two treatments, 120 and 150 ºC, remaining under pressure for seven minutes and, subsequently, under zero pressure for 15 minutes. Results showed a significant increase in specific mass from 0.48 g cm-3 to an average of 0.56 g cm-3, and a compression ratio of about 31.7% on average. Physical properties also varied significantly and results showed that treated samples swelled and absorbed more water than those untreated, leading to a greater thickness non-return rate. This indicates the proposed thermal treatments did not release the internal compressive stress generated during panel pressing, not improving its dimensional stability as a result. On the other hand, mechanical properties were positively affected, leading to an increase of 27.5% and 51.8% in modulus of rupture after treatments at 120 and 150 ºC, respectively. Modulus of elasticity and glue-line shear strength did not vary statistically and Janka hardness was 29.7% higher after treatment at 150 ºC.

  9. Spatially resolved quantitative mapping of thermomechanical properties and phase transition temperatures using scanning probe microscopy

    Science.gov (United States)

    Jesse, Stephen; Kalinin, Sergei V; Nikiforov, Maxim P

    2013-07-09

    An approach for the thermomechanical characterization of phase transitions in polymeric materials (polyethyleneterephthalate) by band excitation acoustic force microscopy is developed. This methodology allows the independent measurement of resonance frequency, Q factor, and oscillation amplitude of a tip-surface contact area as a function of tip temperature, from which the thermal evolution of tip-surface spring constant and mechanical dissipation can be extracted. A heating protocol maintained a constant tip-surface contact area and constant contact force, thereby allowing for reproducible measurements and quantitative extraction of material properties including temperature dependence of indentation-based elastic and loss moduli.

  10. A Quantitative Exploration of the Effect of Interfacial Phenomena on the Thermomechanical Properties of Polymer Nanocomposites

    Science.gov (United States)

    Natarajan, Bharath

    Polymer nanocomposites (PNC) are complex material systems in which the prevailing length scales, i.e., the particle size, radii of gyration of the polymer and the interparticle spacing, converge. This convergence leads to an increased dominance of the interface polymer over bulk properties, when compared to conventional "microcomposites". The development of fascinating nanoscopic filler materials (C60, nanotubes, graphene, quantum dots) along with this potential gain in interfacial area has fueled the expansion of PNCs. Nanocomposites literature has demonstrated a myriad of potential chemistries and self assembled structures that could significantly impact a diverse range of applications. However, most noteworthy results in this field are serendipitous and/or are outcomes of resource-intensive "trial and error" experiments supplemented by intuition. Intuition suggests, qualitatively, that the properties of PNCs depend on the individual properties of the participating species, the interphase and the spatial distribution of filler particles. However, the individual roles of these parameters are difficult to identify, since they are interrelated due to their co-dependence on the chemical constitution of the filler and matrix. A quantitative unifying picture is yet to emerge and the commercialization of this material class has been severely hampered by the lack of design rules and structure-property constitutive relationships that would aid in the prediction of bulk properties. In this thesis, a quantitative understanding of interfacial phenomena was sought and structure-property relationships between the filler/matrix interface chemistry and the dispersion and thermomechanical properties of PNCs were obtained by systematic experiments on 2 distinct kinds of nanocomposite systems (a) Enthalpic short silane modified fillers and (b) Entropic long polymer chain grafted filler embedded PNCs. In order to quantitatively understand the role of enthalpic compatibility, an

  11. Effect of quinoa and potato flours on the thermomechanical and breadmaking properties ofwheat flour

    Directory of Open Access Journals (Sweden)

    E. Rodriguez-Sandoval

    2012-09-01

    Full Text Available The thermomechanical properties of dough and the physical characteristics of bread from quinoa-wheat and potato-wheat composite flours at 10 and 20% substitution level were evaluated. The functional properties of flours were measured by the water absorption index (WAI, water solubility index (WSI and swelling power (SP. The thermomechanical properties of wheat and composite flours were assessed using a Mixolab and the baking quality characteristics of breads were weight, height, width, and specific volume. The results showed that the higher values of WAI (4.48, WSI (7.45%, and SP (4.84 were for potato flour. The quinoa-wheat composite flour presented lower setback and cooking stability data, which are a good indicator of shelf life of bread. On the other hand, the potato-wheat composite flour showed lower stability, minimum torque and peak torque, and higher water absorption. Weight, height, width, and specific volume of wheat bread were most similar to samples of potato-wheat composite flour at 10% substitution level.

  12. Thermo-mechanical properties and integrity of metallic interconnects in microelectronics

    Science.gov (United States)

    Ege, Efe Sinan

    In this dissertation, combined numerical (Finite Element Method) and experimental efforts were undertaken to study thermo-mechanical behavior in microelectronic devices. Interconnects, including chip-level metallization and package-level solder joints, are used to join many of the circuit parts in modern equipment. The dissertation is structured into six independent studies after the introductory chapter. The first two studies focus on thermo-mechanical fatigue of solder joints. Thermo-mechanical fatigue, in the form of damage along a microstructurally coarsened region in tin-lead solder, is analyzed along with the effects of intermetallic morphology. Also, lap-shear testing is modeled to characterize the joint and to investigate the validity of experimental data from different solder and substrate geometries. In the third study, the effects of pre-machined holes on strain localization and overall ductility in bulk eutectic tin-lead alloy is examined. Finite element analyses, taking into account the viscoplastic response, were carried out to provide a mechanistic rationale to corroborate the experimental findings. The fourth study concerns chip-level copper interconnects. Various combinations of oxide and polymer-based low-k dielectric schemes, with and without the thin barrier layers surrounding the Cu line, are considered. Attention is devoted to the thermal stress and strain fields and their dependency on material properties, geometry, and modeling details. This study is followed by a chapter on atomistics of interface-mediated plasticity in thin metallic films. The objective is to gain fundamental insight into the underlying mechanisms affecting the mechanical response of nanoscale thin films. The final study investigates the effect of microstructural heterogeneity on indentation response, for the purpose of raising awareness of the uncertainties involved in applying indentation techniques in probing mechanical properties of miniaturized devices.

  13. Two-Scale Modelling of Effects of Microstructure and Thermomechanical Properties on Dynamic Performance of an Aluminium Alloy

    Science.gov (United States)

    2010-09-01

    Influences of microstructure and properties of an aluminium alloy on resistance to dynamic perforation are predicted using a decoupled multiscale ... simulated performance. Library parameters typical for aluminium alloys (Kohn, 1969) are used for the macroscopic equation of state of Al 2139, details of...Two-Scale Modelling of Effects of Microstructure and Thermomechanical Properties on Dynamic Performance of an Aluminium Alloy by J. D

  14. Effect of thermo-mechanical treatments on creep and fatigue properties of 9% Cr martensitic steels

    International Nuclear Information System (INIS)

    Hollner, S.; Fournier, B.; Le Pendu, J.; Caes, C.; Tournie, I.; Pineau, A.

    2011-01-01

    In the framework of the development of Generation IV nuclear reactors and fusion nuclear reactors, materials with high mechanical properties up to 550 C are required. In service the materials will be subjected to high-temperature creep and cyclic loadings. 9-12%Cr martensitic steels are candidate materials for these applications; however, they show a pronounced cyclic softening effect under cyclic loadings. This softening effect is linked to the coarsening of the martensitic microstructure. In order to refine its microstructure and its precipitation state, the commercial P91 steel has been submitted to a thermo-mechanical treatment including warm-rolling at 600 C and a tempering stage at 700 C. Microstructural observations confirm that this thermo-mechanical treatment led to a finer martensite with smaller MX-type precipitates. This evolution has an effect on the high-temperature mechanical properties: the optimized P91 steel is 100 Hv harder than the as-received P91, and its yield strength is 430 MPa higher at 20 C and 220 MPa higher at 550 C. Its lifetime under creep (at 650 C under 120 MPa) is at least 14 times longer; and the fatigue test at 650 C under 0.7% strain shows a slightly slower cyclic softening effect for the optimized P91. (authors)

  15. Influence of isothermal thermomechanical treatment on structure and properties of structural steels

    International Nuclear Information System (INIS)

    Smirnov, M.A.; Kaletin, A.Yu.; Schastlivthev, V.M.; Kaletina, Yu.V.

    1997-01-01

    A study is made into the structure and mechanical properties of steel 35KhGSA and 37KhN3A after isothermal hardening resulting in bainitic structure formation as well as after low-temperature thermomechanical treatment (LTTMT) combining the plastic deformation at the temperature of bainitic transformation and subsequent isothermal hardening. It is shown that LTTMT permits and essential enhancement of strength properties in steel 35KhGSA, high plasticity and impact strength being reserved. This is associated with bainitic structure refinement. In steel 37KhN3A the process of carbide formation takes place along with bainitic transformation, and LTTMT results in lesser strengthening. LTTMT is fount to not practically affect the tendency of structural steels to bainitic brittleness. This treatment promotes some shift of brittleness manifestation to lower temperatures

  16. Thermomechanical and adhesive properties of radiation-modified polymer composites for thermosetting products

    International Nuclear Information System (INIS)

    Kalkis, V.; Maksimov, R.D.; Kalnins, M.; Zicans, J.; Bocoka, T.; Revjakin, O.

    2000-01-01

    The gamma-irradiated blends of polyethylene (PE) with ethylene / propylene / diene copolymer (Epdm) and thermotropic liquid crystalline polymer (LCP) are investigated. The radiation dose absorbed does not exceed 150 kGy (10 kGy=1 Mrad). It is shown that the even small amounts of LCP added to PE improve the mechanical and operational properties of composites and the thermosetting products made of them. The temperature dependences of the elastics modulus, tension diagrams at a temperature above the PE melting point, and recovery curves of the oriented specimens are presented. The kinetics of thermorelaxation and residual setting stresses upon isometric heating and cooling of the previously oriented composites is studied. The data on the influence of LCP on the adhesion interaction of the blend with steel are obtained. The features of thermomechanical and adhesive properties are discussed and the results of morphological and calorimetric tests are given. (author)

  17. Tungsten - rhenium alloys wire: overview of thermomechanical processing and properties data

    International Nuclear Information System (INIS)

    Bryskin, B.

    2001-01-01

    The scope of this study encompasses the compositional modifications of the tungsten-rhenium dual system (W-3/5 Re up to W-27 Re) as well as some of the tungsten-molybdenum-rhenium ternary system. The alloys of interest are considered with a specific representation of powder metallurgy route based on doped or undoped tungsten vs. vacuum melted materials. This paper constitutes an in-depth review of structural and mechanical properties and systematic compilation of challenges necessary to provide the quality consistency of severely drawn filaments. The issue of thermomechanical processing trends is addressed as an important part of W-Re fabrication technology to achieve further improvement in design properties of rod and wire. (author)

  18. Influence of tragacanth gum in egg white based bioplastics: Thermomechanical and water uptake properties.

    Science.gov (United States)

    López-Castejón, María Luisa; Bengoechea, Carlos; García-Morales, Moisés; Martínez, Inmaculada

    2016-11-05

    This study aims to extend the range of applications of tragacanth gum by studying its incorporation into bioplastics formulation, exploring the influence that different gum contents (0-20wt.%) exert over the thermomechanical and water uptake properties of bioplastics based on egg white albumen protein (EW). The effect of plasticizer nature was also evaluated through the modification of the water/glycerol ratio within the plasticizer fraction (fixed at 40wt.%). The addition of tragacanth gum generally yielded an enhancement of the water uptake capacity, being doubled at the highest content. Conversely, presence of tragacanth gum resulted in a considerable decrease in the bioplastic mechanical properties: both tensile strength and maximum elongation were reduced up to 75% approximately when compared to the gum-free system. Ageing of selected samples was also studied, revealing an important effect of storage time when tragacanth gum is present, possibly due to its hydrophilic character. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Pressurized Slot Testing to Determine Thermo-Mechanical Properties of Lithophysal Tuff at Yucca Mountain Nevada.

    Energy Technology Data Exchange (ETDEWEB)

    George, James T.; Sobolik, Steven R.; Lee, Moo Y.; Park, Byoung; Costin, Laurence

    2018-05-01

    The study described in this report involves heated and unheated pressurized slot testing to determine thermo-mechanical properties of the Tptpll (Tertiary, Paintbrush, Topopah Spring Tuff Formation, crystal poor, lower lithophysal) and Tptpul (upper lithophysal) lithostratigraphic units at Yucca Mountain, Nevada. A large volume fraction of the proposed repository at Yucca Mountain may reside in the Tptpll lithostratigraphic unit. This unit is characterized by voids, or lithophysae, which range in size from centimeters to meters, making a field program an effective method of measuring bulk thermal-mechanical rock properties (thermal expansion, rock mass modulus, compressive strength, time-dependent deformation) over a range of temperature and rock conditions. The field tests outlined in this report provide data for the determination of thermo-mechanical properties of this unit. Rock-mass response data collected during this field test will reduce the uncertainty in key thermal-mechanical modeling parameters (rock-mass modulus, strength and thermal expansion) for the Tptpll lithostratigraphic unit, and provide a basis for understanding thermal-mechanical behavior of this unit. The measurements will be used to evaluate numerical models of the thermal-mechanical response of the repository. These numerical models are then used to predict pre- and post-closure repository response. ACKNOWLEDGEMENTS The authors would like to thank David Bronowski, Ronnie Taylor, Ray E. Finley, Cliff Howard, Michael Schuhen (all SNL) and Fred Homuth (LANL) for their work in the planning and implementation of the tests described in this report. This is a reprint of SAND2004-2703, which was originally printed in July 2004. At that time, it was printed for a restricted audience. It has now been approved for unlimited release.

  20. Thermo-mechanical properties improvement of asphalt binder by using methylmethacrylate/ethylene glycol dimethacrylate

    Directory of Open Access Journals (Sweden)

    A.A. Ragab

    2016-09-01

    Full Text Available Various polymer-modified asphalt compositions for paving and roofing applications are known since several years ago. The degree to which a polymer improves the asphalt’s properties depends on the compatibility of the polymer and the asphalt. Highly compatible polymers are more effective in providing property improvements. In this research, the influence of in situ polymerization of methylmethacrylate monomer with asphalt in presence of ethylene glycol dimethacrylate (EGDM as a crosslinker on the rheological and thermal properties of asphalt binder of type penetration grade 60/70 was studied. To achieve this aim, MMA/EGDM(MC in different ratios as 5, 10 and 15% (w/w were used to modify the thermo-mechanical properties of asphalt via forming chemical bond, and the changing in mechanical and thermal properties, of the mixes as well as the storage stability were studied. Also, the morphology (SEM, thermal characterization (TGA, dynamic mechanical analysis (DMA, bending and rheological tests were detected. The obtained experimental results revealed that the addition of MC causes both the rheological and thermal properties of the binder to improve and the prepared PMAs has high temperature susceptibility and low curing time. The improvement in the properties of the virgin asphalt will be effective in using this soft type in coating applications instead of highly expensive oxidized one.

  1. PECULIARITIES OF FORMATION OF STRUCTURE AND PROPERTIES AT THERMO-MECHANICAL PROCESSING OF ROLLED WIRE OF NICKEL

    Directory of Open Access Journals (Sweden)

    V. A. Lutsenko

    2012-01-01

    Full Text Available There are results of researches of the mechanical properties and structure of the wire rod made of low-carbon nickel molybdenum steel after reduction to toughness thermomechanical treatment in the stream of high-speed wire mill.

  2. Influence of Carbon Nano Tubes on the Thermo-Mechanical Properties of Unsaturated Polyester Nanocomposite

    International Nuclear Information System (INIS)

    Alam, A K M Moshiul; Beg, M D H; Yunus, Rosli Mohd

    2015-01-01

    To date nano fillers are renowned reinforcing agent for polymer materials. In this work, unsaturated polyester (UPR) nanocomposites were fabricated by 0.1, 0.3 and 0.5 wt% multi walled carbon nanotubes (MWCNTs) through solution dispersion and casting method. The influence of MWCNT content was investigated by thermo-mechanical properties. Dispersion of nanotubes was observed by fracture morphology. The strength of nanocomposites rose with raising the CNT content. Moreover, DSC thermograms of nanocomposites represent noticeable improvement of glass transition temperature (T g ), melting temperature (T m ) and enthalpy (ΔH m ). Micro-crystallinity of nanocomposites increased with increasing the CNT content. Moreover, the stiffness increased with increasing the CNT content. (paper)

  3. Thermomechanical properties of polymer nanocomposites: Exploring a unified relationship with planar polymer films

    Science.gov (United States)

    Bansal, Amitabh

    The thermal and mechanical response of polymers, which provide limitations to their practical use, are greatly improved by the addition of a small fraction of an inorganic nanofiller. However, the resulting changes in polymer properties are poorly understood, primarily due to the non-uniform spatial distribution of nanoparticles. This research explores the properties of polystyrene filed with silica nanoparticles and illustrates for the first time that the thermodynamic properties of "polymer nanocomposites" are quantitatively equivalent to the well-understood case of planar polymer films with a uniform thickness. These ideas are quantified by drawing a direct analogy between thin film thickness and an appropriate average ligament thickness measured using electron microscopy. The change in polymer glass transition temperatures with decreasing ligament thickness were found to be quantitatively equivalent to the corresponding thin film data. In combination with viscoelastic properties of the nanocomposites that are in quantitative agreement with data from thin films, these conclusions provide a facile means of understanding and predicting the thermomechanical properties and, potentially, the engineering properties of practically relevant polymer nanocomposites. Grafting of high molecular weight polystyrene onto the silica nanoparticles greatly improves the dispersion quality of nanofillers and also provides a means to tailor the thermo-mechanical properties in nanocomposites. It is concluded that the grafted polystyrene is akin to polymer brushes on flat surfaces. The mobility and stiffness of these grafted chains are expected to be low as compared to the free polymer. In this context a mechanism for the increase in glass transition is proposed: (1) the stiff grafted chains will tend to decrease mobility and thus increase glass transition, (2) the extent of interdigitation of the grafted polystyrene into the matrix will determine the extent to which the nanocomposite

  4. Thermo-mechanical properties of mixed ion-electron conducting membrane materials

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Bingxin

    2011-07-01

    The thesis presents thermo-mechanical properties of La{sub 0.58}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} (LSCF) and Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} (BSCF) perovskite materials, which are considered as oxygen transport membranes (OTM) for gas separation units. Ring-on-ring bending test with disk-shaped samples and depth-sensitive micro-indentation have been used as macroscopic and microscopic tests, respectively. In addition, the thermo-mechanical properties of a third OTM candidate material La{sub 2}NiO{sub 4+{delta}} (LNO) were investigated. The results of the thermo-mechanical measurements with the BSCF revealed an anomaly between 200 C and 400 C. In particular, the temperature dependence of Young's modulus shows a minimum at {proportional_to} 200 C. Fracture stress and toughness exhibit a qualitatively similar behavior with a minimum between 200 C and 400 C, before recovering between 500 C and 800 C. X-ray diffraction analyses verified that BSCF remains cubic in the relevant temperature range. Hence the anomalies were assumed to be related to the transition of Co{sup 3+} spin states reported for other Co-containing perovskites. This assumption could be experimentally confirmed by magnetic susceptibility measurements. The fracture surfaces of the specimens are not affected by the mechanical anomalies at intermediate temperatures, since only a transgranular fracture mode has been observed. Complementary to the mechanical characterization of BSCF, also the temperature dependency of fracture stress and elastic behavior of LSCF have been determined. Phase compositions of LSCF have been studied by in-situ high temperature XRD. Changes in phase composition with temperature are observed. At ambient temperature the LSCF perovskite material comprises two phases: rhombohedral and cubic symmetry. The ratio of the two phases depends on both cooling rate and atmosphere. The transition of rhombohedral to cubic occurs between 700 C and

  5. Electrical and Thermo-Mechanical properties of Irradiated Clay Nanoparticle/SBR Composites

    International Nuclear Information System (INIS)

    Ata, M.M.E.M.

    2011-01-01

    Polymer-Composites incorporating metal, semiconductors, Carbon black, nano materials and Clay materials have been widely used and studied as multifunctional materials with inherent polymer properties. Polymer-clay nano composites show remarkable property improvement when compared to conventionally scaled composites. For designing new materials with desirable, predicted properties, a better understanding of structure-property relationships is necessary. In this work, we employ dielectric relaxation spectroscopy (DRS) to investigate molecular mobility in relation to morphology in styrene butadiene rubber-SBR (treated and untreated) nano composites. In addition to the investigation of dipolar processes, special attention is paid here to the investigation of conductivity effects and mechanical as well as thermo-mechanical properties. From the stress-strain characteristics, one found that, all the compositions showed a tensile strength higher than the virgin rubber. By increasing the filler loading, the tensile strength of the prepared composites increases. The elongation at break for treated and untreated clay filed composites increases with an increase in filer loading up to 10 p hr and then followed by a decrease up to 15 p hr. The cross linking density, υ increases with both treated and untreated clay contents and treated samples have higher increasing rate of υ values than untreated one. To elucidate the tensile behavior of the test samples. The Ht model is tested by using non-Gaussian chain statistics, which give a good fitting with the experimental data.

  6. Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids

    Science.gov (United States)

    Toher, Cormac; Oses, Corey; Plata, Jose J.; Hicks, David; Rose, Frisco; Levy, Ohad; de Jong, Maarten; Asta, Mark; Fornari, Marco; Buongiorno Nardelli, Marco; Curtarolo, Stefano

    2017-06-01

    Thorough characterization of the thermomechanical properties of materials requires difficult and time-consuming experiments. This severely limits the availability of data and is one of the main obstacles for the development of effective accelerated materials design strategies. The rapid screening of new potential materials requires highly integrated, sophisticated, and robust computational approaches. We tackled the challenge by developing an automated, integrated workflow with robust error-correction within the AFLOW framework which combines the newly developed "Automatic Elasticity Library" with the previously implemented GIBBS method. The first extracts the mechanical properties from automatic self-consistent stress-strain calculations, while the latter employs those mechanical properties to evaluate the thermodynamics within the Debye model. This new thermoelastic workflow is benchmarked against a set of 74 experimentally characterized systems to pinpoint a robust computational methodology for the evaluation of bulk and shear moduli, Poisson ratios, Debye temperatures, Grüneisen parameters, and thermal conductivities of a wide variety of materials. The effect of different choices of equations of state and exchange-correlation functionals is examined and the optimum combination of properties for the Leibfried-Schlömann prediction of thermal conductivity is identified, leading to improved agreement with experimental results than the GIBBS-only approach. The framework has been applied to the AFLOW.org data repositories to compute the thermoelastic properties of over 3500 unique materials. The results are now available online by using an expanded version of the REST-API described in the Appendix.

  7. Poly-Lactide/Exfoliated C30B Interactions and Influence on Thermo-Mechanical Properties Due to Artificial Weathering

    Directory of Open Access Journals (Sweden)

    Wendy Margarita Chávez-Montes

    2016-04-01

    Full Text Available Thermal stability as well as enhanced mechanical properties of poly-lactide (PLA can increase PLA applications for short-use products. The conjunction of adequate molecular weight (MW as well as satisfactory thermo-mechanical properties, together, can lead to the achievement of suitable properties. However, PLA is susceptible to thermal degradation and thus an undesired decay of MW and a decrease of its mechanical properties during processing. To avoid this PLA degradation, nanofiller is incorporated as reinforcement to increase its thermo-mechanical properties. There are many papers focusing on filler effects on the thermal stability and mechanical properties of PLA/nanocomposites; however, these investigations lack an explanation of polymer/filler interactions. We propose interactions between PLA and Cloisite30B (C30B as nanofiller. We also study the effects on the thermal and mechanical properties due to molecular weight decay after exposure to artificial weathering. PLA blank and nanocomposites were subjected to three time treatments (0, 176, and 360 h of exposure to artificial weathering in order to achieve comparable materials with different MW. MW was acquired by means of Gel Permeation Chromatography (GPC. Thermo-mechanical properties were investigated through Thermogravimetric Analysis (TGA, Differential Scanning Calorimetry (DSC, X-ray Diffraction (XRD, Dynamic Mechanical Thermal Analysis (DMTA and Fourier Transform Infrared Spectroscopy (FTIR.

  8. The effect of thermo-mechanical processing on the mechanical properties of molybdenum - 2 volume % lanthana

    International Nuclear Information System (INIS)

    Mueller, A.J.; Shields, J.A. Jr.; Buckman, R.W. Jr.

    2001-01-01

    Variations in oxide species and consolidation method have been shown to have a significant effect on the mechanical properties of oxide dispersion strengthened (ODS) molybdenum material. The mechanical behavior of molybdenum - 2 volume % La 2 O 3 mill product forms, produced by CSM Industries by a wet doping process, were characterized over the temperature range of -150 o C to 1800 o C. The various mill product forms evaluated ranged from thin sheet stock to bar stock. Tensile properties of the material in the various product forms were not significantly affected by the vast difference in total cold work. Creep properties, however, were sensitive to the total amount of cold work as well as the starting microstructure. Stress-relieved .material had superior creep rupture properties to recrystallized material at 1200 o C, while at 1500 o C and above the opposite was observed. Thus it is necessary to match the appropriate thermo-mechanical processing and microstructure of molybdenum - 2 volume % La 2 O 3 to the demands of the application being considered. (author)

  9. Effects of thermomechanical process on the microstructure and mechanical properties of a fully martensitic titanium-based biomedical alloy.

    Science.gov (United States)

    Elmay, W; Prima, F; Gloriant, T; Bolle, B; Zhong, Y; Patoor, E; Laheurte, P

    2013-02-01

    Thermomechanical treatments have been proved to be an efficient way to improve superelastic properties of metastable β type titanium alloys through several studies. In this paper, this treatment routes, already performed on superelastic alloys, are applied to the Ti-24Nb alloy (at%) consisting of a pure martensite α'' microstructure. By short-time annealing treatments performed on the heavily deformed material, an interesting combination of a large recoverable strain of about 2.5%, a low elastic modulus (35 GPa) and a high strength (900 MPa) was achieved. These properties are shown to be due to a complex microstructure consisting of the precipitation of nanoscale (α+ω) phases in ultra-fine β grains. This microstructure allows a superelastic behavior through stress-induced α'' martensitic transformation. In this study, the microstructures were characterized by X-ray diffraction and transmission electron microscopy and the evolution of the elastic modulus and the strain recovery as a function of the applied strain was investigated through loading-unloading tensile tests. Copyright © 2012 Elsevier Ltd. All rights reserved.

  10. Elastoplastic Stability and Failure Analysis of FGM Plate with Temperature Dependent Material Properties under Thermomechanical Loading

    Directory of Open Access Journals (Sweden)

    Kanishk Sharma

    Full Text Available Abstract The present paper explores the stability and failure response of elastoplastic Ni/Al2O3 functionally graded plate under thermomechanical load using non-linear finite element formulation based on first-order shear deformation theory and von-Karman’s nonlinear kinematics. The temperature dependent thermoelastic material properties of FGM plate are varied in the thickness direction by controlling the volume fraction of the constituent materials (i.e., ceramic and metal with a power law, and Mori-Tanaka homogenization scheme is applied to evaluate the properties at a particular thickness coordinate of FGM plate. The elastoplastic behavior of FGM plate is assumed to follow J2-plasticity with isotropic hardening, wherein the ceramic phase is considered to be elastic whereas the metal is assumed to be elastic-plastic in accordance with the Tamura-Tomota-Ozawa model. Numerical studies are conducted to examine the effects of material and geometrical parameters, viz. material in-homogeneity, slenderness and aspect ratios on the elastoplastic bucking and postbuckling behavior and the failure response of FGM plate. It is revealed that material gradation affects the stability and failure behavior of FGM plate considerably. Furthermore, it is also concluded that FGM plate with elastic material properties exhibits only stable equilibrium path, whereas the elastoplastic FGM plate shows destabilizing response after the ultimate failure point.

  11. Rheological, thermo-mechanical, and baking properties of wheat-millet flour blends.

    Science.gov (United States)

    Aprodu, Iuliana; Banu, Iuliana

    2015-07-01

    Millet has long been known as a good source of fiber and antioxidants, but only lately started to be exploited by food scientists and food industry as a consequence of increased consumer awareness. In this study, doughs and breads were produced using millet flour in different ratios (10, 20, 30, 40, and 50%) to white, dark, and whole wheat flour. The flour blends were evaluated in terms of rheological and thermo-mechanical properties. Fundamental rheological measurements revealed that the viscosity of the flour formulations increases with wheat flour-extraction rate and decreases with the addition of millet flour. Doughs behavior during mixing, overmixing, pasting, and gelling was established using the Mixolab device. The results of this bread-making process simulation indicate that dough properties become critical for the flour blends with millet levels higher than 30%. The breads were evaluated for volume, texture, and crumb-grain characteristics. The baking test and sensory evaluation results indicated that substitution levels of up to 30% millet flour could be used in composite bread flour. High levels of millet flour (40 and 50%) negatively influenced the loaf volume, crumb texture, and taste. © The Author(s) 2014.

  12. PECULIARITIES OF FORMATION OF STRUCTURE AND PROPERTIES AT THERMO-MECHANICAL PROCESSING OF ROLLED WIRE OF NICKEL-MOLYBDENUM STEEL WITH WELDING FUNCTION

    OpenAIRE

    V. A. Lutsenko

    2012-01-01

    There are results of researches of the mechanical properties and structure of the wire rod made of low-carbon nickel molybdenum steel after reduction to toughness thermomechanical treatment in the stream of high-speed wire mill.

  13. Effect of Different Thermomechanical Processes on the Microstructure, Texture, and Mechanical Properties of API 5L X70 Steel

    Science.gov (United States)

    Masoumi, Mohammad; Echeverri, Edwan Anderson Ariza; Silva, Cleiton Carvalho; Béreš, Miloslav; de Abreu, Hamilton Ferreira Gomes

    2018-03-01

    A commercial API 5L X70 steel plate was subjected to different thermomechanical processes to propose a novel thermomechanical rolling path to achieve improved mechanical properties. Scanning electron microscopy, electron backscatter diffraction, and x-ray texture analysis were employed for microstructural characterization. The results showed that strain-free recrystallized {001} ferrite grains that developed at higher rolling temperature could not meet the American Petroleum Institute (API) requirements. Also, refined and work-hardened grains that have formed in the intercritical region with high stored energy do not provide suitable tensile properties. However, fine martensite-austenite constituents dispersed in ferrite matrix with grains having predominantly {111} and {110} orientations parallel to the normal direction that developed under isothermal rolling at 850 °C provided an outstanding combination of tensile strength and ductility.

  14. Mechanical properties of thermomechanical treated hyper-eutectic Al-Si-(Fe, Mn, Cu) materials

    OpenAIRE

    Umezawa, Osamu

    2005-01-01

    Tensile and high-cycle fatigue behavior of thermomechanical treated hyper-eutectic Al-Si-(Fe, Mn, Cu) materials were studied. Through the repeated thermomechanical treatment (RTMT) which is a repeat of the multi steps cold-working followed by heat treatment, Si crystals and/or intermetallic compounds were broken into some fragments and dispersed in the aluminum matrix. Fine dispersion of the second phase particles exhibited good ductility, since early fracture was overcome. A few large Si cry...

  15. Effect of low-temperature thermomechanical treatment on mechanical properties of low-alloying molybdenum alloys with carbide hardening

    International Nuclear Information System (INIS)

    Bernshtejn, L.M.; Zakharov, A.M.; Veller, M.V.

    1978-01-01

    Presented are results of testing low-temperature thermomechanical treatment of low-alloying molybdenum alloys, including quenching from 2100 deg C, 40% deformation by hydroextrusion and aging at the temperature of 1200-1400 deg C. Tensile tests at room temperature with the following processing of results have shown that low-temperature thermomechanical treatment of low-alloying molybdenum alloys of Mo-Zr-C and Mo-Zr-Nb-C systems leads to a significant increase in low-temperature mechanical properties (strength properties - by 30-35%, ductility - by 30-40%) as compared with conventional heat treatment (aging after quenching). The treatment proposed increases resistance to small, as well as large plastic deformations, and leads to a simultaneous rise of strength and plastic properties at all stages of tensile test. Alloying of the Mo-Zr-C system with niobium increases both strength and plastic characteristics as compared with alloys without niobium when testing samples, subjected to low temperature thermomechanical treatment and conventional heat treatment at room temperature

  16. Physical, structural and thermomechanical properties of oil palm nano filler/kenaf/epoxy hybrid nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Saba, N., E-mail: naheedchem@gmail.com [Laboratory of Biocomposite Technology, Institute of Tropical Forestry and Forest Products(INTROP), Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Paridah, M.T. [Laboratory of Biocomposite Technology, Institute of Tropical Forestry and Forest Products(INTROP), Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Abdan, K. [Department of Biological and Agricultural Engineering, Faculty of Engineering, Universiti Putra Malaysia, 43400 UPM Serdang Selangor (Malaysia); Ibrahim, N.A. [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia)

    2016-12-01

    The present research study deals with the fabrication of kenaf/epoxy hybrid nanocomposites by the incorporation of oil palm nano filler, montmorillonite (MMT) and organically modified montmorillonite (OMMT) at 3% loading, through hand lay-up technique. Effect of adding different nano fillers on the physical (density), structural [X-ray diffraction (XRD)] and thermomechanical analysis (TMA) of kenaf/epoxy composites were carried out. Density results revealed that the incorporation of nano filler in the kenaf/epoxy composites increases the density which in turn increases the hardness of the hybrid nanocomposites. XRD analysis confirmed the presence of nano fillers in the structure of their respective fabricated hybrid nanocomposites. All hybrid nanocomposites displayed lower coefficient of thermal expansion (CTE) with respect to kenaf/epoxy composites. Overall results predicted that the properties improvement in nano OPEFB/kenaf/epoxy was quite comparable to MMT/kenaf/epoxy but relatively lesser to OMMT/kenaf/epoxy hybrid nanocomposites and higher with respect to kenaf/epoxy composites. The improvement ascribed due to improved interfacial bonding or cross linking between kenaf fibers and epoxy matrix by addition of nano filler. - Highlights: • Nano OPEFB/kenaf/epoxy hybrid nanocomposites were fabricated by hand lay-up. • Effect of nano OPEFB on density & structure of kenaf/epoxy were investigated. • Thermal expansion coefficients of kenaf/epoxy and hybrid nanocomposites evaluated. • Comparative studies were made with MMT and OMMT kenaf/epoxy hybrid nanocomposites.

  17. Physical, structural and thermomechanical properties of oil palm nano filler/kenaf/epoxy hybrid nanocomposites

    International Nuclear Information System (INIS)

    Saba, N.; Paridah, M.T.; Abdan, K.; Ibrahim, N.A.

    2016-01-01

    The present research study deals with the fabrication of kenaf/epoxy hybrid nanocomposites by the incorporation of oil palm nano filler, montmorillonite (MMT) and organically modified montmorillonite (OMMT) at 3% loading, through hand lay-up technique. Effect of adding different nano fillers on the physical (density), structural [X-ray diffraction (XRD)] and thermomechanical analysis (TMA) of kenaf/epoxy composites were carried out. Density results revealed that the incorporation of nano filler in the kenaf/epoxy composites increases the density which in turn increases the hardness of the hybrid nanocomposites. XRD analysis confirmed the presence of nano fillers in the structure of their respective fabricated hybrid nanocomposites. All hybrid nanocomposites displayed lower coefficient of thermal expansion (CTE) with respect to kenaf/epoxy composites. Overall results predicted that the properties improvement in nano OPEFB/kenaf/epoxy was quite comparable to MMT/kenaf/epoxy but relatively lesser to OMMT/kenaf/epoxy hybrid nanocomposites and higher with respect to kenaf/epoxy composites. The improvement ascribed due to improved interfacial bonding or cross linking between kenaf fibers and epoxy matrix by addition of nano filler. - Highlights: • Nano OPEFB/kenaf/epoxy hybrid nanocomposites were fabricated by hand lay-up. • Effect of nano OPEFB on density & structure of kenaf/epoxy were investigated. • Thermal expansion coefficients of kenaf/epoxy and hybrid nanocomposites evaluated. • Comparative studies were made with MMT and OMMT kenaf/epoxy hybrid nanocomposites.

  18. The mechanical properties, deformation and thermomechanical properties of alkali treated and untreated Agave continuous fibre reinforced epoxy composites

    International Nuclear Information System (INIS)

    Mylsamy, K.; Rajendran, I.

    2011-01-01

    Research highlights: → New renewable and biodegradable Agave americana fibre. → Environmentally free materials. → Good mechanical properties of Agave fibre reinforced epoxy composite materials. → Surface modification of the fibre (Alkali treatment) imported good mechanical properties. → Future scope in light weight materials manufacture. -- Abstract: The mechanical properties such as tensile, compressive, flexural, impact strength and water absorption of the alkali treated continuous Agave fibre reinforced epoxy composite (TCEC) and untreated continuous Agave fibre reinforced epoxy composite (UTCEC) were analysed. A comparison of the surfaces of TCEC and UTCEC composites was carried out by dynamic mechanical analysis (DMA), Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The thermomechanical properties of the composite reinforced with sodium hydroxide (NaOH) treated Agave fibres were considerably good as the shrinkage of the fibre during alkali treatment had facilitated more points of fibre resin interface. The SEM micrograph and FTIR spectra of the impact fracture surfaces of TCEC clearly demonstrate the better interfacial adhesion between fibre and the matrix. In both analyses the TCEC gave good performance than UTCEC and, thus, there is a scope for its application in light weight manufacture in future.

  19. Thermo-mechanical Properties of Upper Jurassic (Malm) Carbonate Rock Under Drained Conditions

    Science.gov (United States)

    Pei, Liang; Blöcher, Guido; Milsch, Harald; Zimmermann, Günter; Sass, Ingo; Huenges, Ernst

    2018-01-01

    The present study aims to quantify the thermo-mechanical properties of Neuburger Bankkalk limestone, an outcrop analog of the Upper Jurassic carbonate formation (Germany), and to provide a reference for reservoir rock deformation within future enhanced geothermal systems located in the Southern German Molasse Basin. Experiments deriving the drained bulk compressibility C were performed by cycling confining pressure p c between 2 and 50 MPa at a constant pore pressure p p of 0.5 MPa after heating the samples to defined temperatures between 30 and 90 °C. Creep strain was then measured after each loading and unloading stage, and permeability k was obtained after each creep strain measurement. The drained bulk compressibility increased with increasing temperature and decreased with increasing differential pressure p d = p c - p p showing hysteresis between the loading and unloading stages above 30 °C. The apparent values of the indirectly calculated Biot coefficient α ind containing contributions from inelastic deformation displayed the same temperature and pressure dependencies. The permeability k increased immediately after heating and the creep rates were also temperature dependent. It is inferred that the alteration of the void space caused by temperature changes leads to the variation of rock properties measured under isothermal conditions while the load cycles applied under isothermal conditions yield additional changes in pore space microstructure. The experimental results were applied to a geothermal fluid production scenario to constrain drawdown and time-dependent effects on the reservoir, overall, to provide a reference for the hydromechanical behavior of geothermal systems in carbonate, and more specifically, in Upper Jurassic lithologies.

  20. Recycling effects on the rheological and thermomechanical properties of polypropylene-based composites

    International Nuclear Information System (INIS)

    Bahlouli, Nadia; Pessey, Daniel; Raveyre, Claude; Guillet, Jacques; Ahzi, Said; Dahoun, Abdessalam; Hiver, Jean Marie

    2012-01-01

    Highlights: → Recycling effect on high impact PP with or without talc for automotive industries. → Rheological/mechanical tests, effect of molecular weight, deformation and damage. → Embrittlement of the amorphous matrix by chain scissions and growth of cavitation. → Better stability for talc filled HiPP, but decreased failure stress. → Interfaces talc/PP matrix and EPDM droplets/PP matrix are degraded. -- Abstract: As recycled materials are increasingly used in design of structural components, it is necessary to understand the effect of recycling on the properties and durability of these materials. In this work, the recycling effects on two high impact polypropylenes (HiPP) are studied. The recycling process was simulated by performing several extrusion runs with the same material in order to get a better understanding of the multi recycling effects. These effects were identified not only on the molecular weight and the rheological properties but also on the mechanical properties and the deformation mechanisms. The volume strain has been also measured as a damage indicator in the studied polymers. For both materials, the analysis of the different results showed that the rheological and the mechanical properties were affected by the thermomechanical recycling process. In particular, this process led to the decrease of the molecular weight, the decrease of the failure stress and the decrease of the impact energy. Moreover, Scanning Electronic Micoscopy (SEM) pictures showed a modification of the deformation process due to the embrittlement of the amorphous matrix by the chain scission and by cavitation. Moreover, a better stability for talc filled HiPP was observed but a decrease of the failure stress was obtained because the interfaces talc/polypropylene (PP) matrix and ethylene propylene diene monomer (EPDM) droplets/PP matrix were degraded. Indeed, the knowledge of the molecular characteristics as well as the rheological and mechanical properties of

  1. Influence of initial thermomechanical treatment on high temperature properties of laves phase strengthened ferritic steels

    International Nuclear Information System (INIS)

    Talik, Michal

    2016-01-01

    The aim of this work was to design 17 wt%Cr Laves phase strengthened HiperFer (High performance Ferrite) steels and evaluate their properties. This class of steel is supposed to be used in Advanced Ultra Super Critical power plants. Such cycles exhibit higher efficiency and are environmentally friendly, but improved materials with high resistance to reside/steam oxidation and sufficient creep strength are required. The work focused on the characterization of creep properties of 17Cr2.5W0.5Nb0.25Si heat resistant steel. Small batches of steels with nominal compositions of 17Cr3W0.5Nb0.25Si and 17Cr3W0.9Nb0.25Si were used to analyze the influence of chemical composition on the precipitation behaviour in comparison to 17Cr2.5W0.5Nb0.25Si steel. Creep strength of HiperFer steels is ensured by ne dispersion of thermodynamically stable Laves phase particles, while maintaining high corrosion resistance by a relatively high chromium content. Design of HiperFer steels was accomplished by thermodynamic modeling (Thermocalc) with the main tasks of elimination of the unwelcome brittle (Fe,Cr)-σ phase and maximization of the content of the strengthening C14 Fe_2Nb type Laves phase particles. Long term annealing experiments of all HiperFer steels were performed at 650 C in order to evaluate the role of chemical composition and initial thermo-mechanical treatment state on precipitation behaviour. Laves phase particles formed quickly after few hours and the size of precipitates did not change significantly within 1,000 hours. The observed development of Laves phase particles was compared with thermodynamical calculations (TC-Prisma). The creep properties of 17Cr2.5W0.5Nb0.25Si steel in different initial thermo-mechanical treatment states were tested at 650 C. The influence of different cold rolling procedures, and heat treatments was investigated. Increased cold rolling deformation had a positive effect resulting not only from work hardening, but from the acceleration of Laves

  2. Microstructure Refinement and Mechanical Properties of 304 Stainless Steel by Repetitive Thermomechanical Processing

    Science.gov (United States)

    Al-Fadhalah, Khaled; Aleem, Muhammad

    2018-04-01

    Repetitive thermomechanical processing (TMP) was applied for evaluating the effect of strain-induced α'-martensite transformation and reversion annealing on microstructure refinement and mechanical properties of 304 austenitic stainless steel. The first TMP scheme consisted of four cycles of tensile deformation to strain of 0.4, while the second TMP scheme applied two cycles of tensile straining to 0.6. For both schemes, tensile tests were conducted at 173 K (- 100 °C) followed by 5-minute annealing at 1073 K (800 °C). The volume fraction of α'-martensite in deformed samples increased with increasing cycles, reaching a maximum of 98 vol pct. Examination of annealed microstructure by electron backscattered diffraction indicated that increasing strain and/or number of cycles resulted in stronger reversion to austenite with finer grain size of 1 μm. Yet, increasing strain reduced the formation of Σ3 boundaries. The annealing textures generally show reversion of α'-martensite texture components to the austenite texture of brass and copper orientations. The increase in strain and/or number of cycles resulted in stronger intensity of copper orientation, accompanied by the formation of recrystallization texture components of Goss, cube, and rotated cube. The reduction in grain size with increasing cycles caused an increase in yield strength. It also resulted in an increase in strain hardening rate during deformation due to the increase in the formation of α'-martensite. The increase in strain hardening rate occurred in two consecutive stages, marked as stages II and III. The strain hardening in stage II is due to the formation of α'-martensite from either austenite or ɛ-martensite, while the stage-III strain hardening is attributed to the necessity to break the α'-martensite-banded structure for forming block-type martensite at high strains.

  3. Advance development of a technique for characterizing the thermomechanical properties of thermally stable polymers

    Science.gov (United States)

    Gillham, J. K.; Stadnicki, S. J.; Hazony, Y.

    1974-01-01

    The torsional braid experiment has been interfaced with a centralized hierarchical computing system for data acquisition and data processing. Such a system, when matched by the appropriate upgrading of the monitoring techniques, provides high resolution thermomechanical spectra of rigidity and damping, and their derivatives with respect to temperature.

  4. Evolution of microstructure and mechanical properties during thermomechanical processing of a low-density multiphase steel for automotive application

    International Nuclear Information System (INIS)

    Rana, R.; Liu, C.; Ray, R.K.

    2014-01-01

    The evolution of the microstructure and mechanical properties in a low-density, low-alloy steel containing 6.57Al–3.34Mn–0.18C (wt.%) has been investigated as a function of processing. The steel was designed to have a duplex microstructure with ferrite as the major phase and austenite as the minor phase within the temperature range 800–1350 °C. The steel was processed to sheet form, which was thermomechanically treated and characterised by a variety of techniques such as optical metallography, scanning electron microscopy, electron backscatter diffraction, electron probe microanalysis, X-ray diffraction, transmission electron microscopy, tensile testing and density and elastic modulus measurements. The amount of austenite was found to decrease with an increase in the annealing temperature. While C and Mn partitioned into the austenite phase, Al partitioned into the ferrite. The tensile elongation increased with an increase in the amount of austenite in the microstructure. However, the austenite showed only a small transformation induced plasticity effect during tensile deformation due to its high stability. After annealing, mostly κ-carbide precipitates with a (Fe + Mn)/Al ratio of 3.6 appeared in the ferrite matrix, along with some cementite and complex carbides. These precipitates became coarser (330 nm) during a short time overageing treatment at 400 °C, causing a significant increase in elongation. The κ-carbides were found to have a close to Nishiyama–Wasserman type orientation relationship with the ferrite matrix. Although the Young’s modulus of the steel dropped due to the large amount of Al added, the reduced density was found to be beneficial for automotive applications, overriding the effect of a drop in Young’s modulus

  5. Inorganic fullerene-like IF-WS{sub 2}/PVB nanocomposites of improved thermo-mechanical and tribological properties

    Energy Technology Data Exchange (ETDEWEB)

    Simić, Danica [Military Technical Institute, Ratka Resanovića 1, 11132 Belgrade (Serbia); Stojanović, Dušica B., E-mail: duca@tmf.bg.ac.rs [University of Belgrade, Faculty of Technology and Metallurgy, 11120 Belgrade (Serbia); Kojović, Aleksandar [University of Belgrade, Faculty of Technology and Metallurgy, 11120 Belgrade (Serbia); Dimić, Mirjana; Totovski, Ljubica [Military Technical Institute, Ratka Resanovića 1, 11132 Belgrade (Serbia); Uskoković, Petar S.; Aleksić, Radoslav [University of Belgrade, Faculty of Technology and Metallurgy, 11120 Belgrade (Serbia)

    2016-12-01

    The subject of this research is to explore the possibility of preparation of nanocomposite material of improved thermo-mechanical and tribological properties, using inorganic fullerene-like tungsten disulfide nanostructures (IF-WS{sub 2}) as reinforcement in poly(vinyl butyral) (PVB). This paper also reports investigation of the effects of using different solvents in preparation of PVB/IF-WS{sub 2} nanocomposite on the thermo-mechanical behavior of the resulting material. PVB was dissolved in ethanol, isopropanol, n-butanol and ethyl acetate. IF-WS{sub 2} nanoparticles were added to these PVB solutions and dispersed by different deagglomeration techniques. Samples were dried and thin films were obtained. Their microstructure and the quality of IF-WS{sub 2} dispersion and deagglomeration in PVB matrix was analyzed by scanning electron microscope (SEM). The reinforcing effect of IF-WS{sub 2} is examined by determining hardness, reduced modulus of elasticity and coefficient of friction, by nanoindentation and nanoscratch test, in terms of the different solvents applied in preparation of the samples, mode of stirring and different contents of IF-WS{sub 2}. The glass transition temperature (T{sub g}) was determined for the prepared samples using differential scanning calorimetry (DSC) and dynamic mechanical thermal analysis (DMA). Storage modulus and mechanical loss factor were observed in a defined temperature range using DMA. - Highlights: • Poly(vinyl butyral)/tungsten disulfide nanocomposites were examined. • Different solvents and deagglomeration methods affect the properties of composites. • Nanoindentation and scratch test, PSD, SEM, DSC and DMTA were analyzed. • Thermo-mechanical and antifriction properties of composite material are improved.

  6. Inorganic fullerene-like IF-WS_2/PVB nanocomposites of improved thermo-mechanical and tribological properties

    International Nuclear Information System (INIS)

    Simić, Danica; Stojanović, Dušica B.; Kojović, Aleksandar; Dimić, Mirjana; Totovski, Ljubica; Uskoković, Petar S.; Aleksić, Radoslav

    2016-01-01

    The subject of this research is to explore the possibility of preparation of nanocomposite material of improved thermo-mechanical and tribological properties, using inorganic fullerene-like tungsten disulfide nanostructures (IF-WS_2) as reinforcement in poly(vinyl butyral) (PVB). This paper also reports investigation of the effects of using different solvents in preparation of PVB/IF-WS_2 nanocomposite on the thermo-mechanical behavior of the resulting material. PVB was dissolved in ethanol, isopropanol, n-butanol and ethyl acetate. IF-WS_2 nanoparticles were added to these PVB solutions and dispersed by different deagglomeration techniques. Samples were dried and thin films were obtained. Their microstructure and the quality of IF-WS_2 dispersion and deagglomeration in PVB matrix was analyzed by scanning electron microscope (SEM). The reinforcing effect of IF-WS_2 is examined by determining hardness, reduced modulus of elasticity and coefficient of friction, by nanoindentation and nanoscratch test, in terms of the different solvents applied in preparation of the samples, mode of stirring and different contents of IF-WS_2. The glass transition temperature (T_g) was determined for the prepared samples using differential scanning calorimetry (DSC) and dynamic mechanical thermal analysis (DMA). Storage modulus and mechanical loss factor were observed in a defined temperature range using DMA. - Highlights: • Poly(vinyl butyral)/tungsten disulfide nanocomposites were examined. • Different solvents and deagglomeration methods affect the properties of composites. • Nanoindentation and scratch test, PSD, SEM, DSC and DMTA were analyzed. • Thermo-mechanical and antifriction properties of composite material are improved.

  7. Effect of microencapsulated phase change materials on the thermo-mechanical properties of poly(methyl-methacrylate) based biomaterials.

    Science.gov (United States)

    De Santis, Roberto; Ambrogi, Veronica; Carfagna, Cosimo; Ambrosio, Luigi; Nicolais, Luigi

    2006-12-01

    Microencapsulated paraffin based phase change material (PCM) have been incorporated into Poly(methyl-methacrylate) (PMMA) matrix in order to enhance the thermo-mechanical properties. Calorimetric and mechanical analyses are carried out and the thermo regulating potential of PMMA/PCM composites is investigated. Results indicate that the PCM phase has a negligible effect on the glass transition temperature of the PMMA matrix, and the thermal regulating capability spans around body temperature absorbing or releasing a thermal energy up to 30 J/g. One of the effect of the PCM phase into the cement is the reduction of the peak temperature developed during the exothermal reaction.

  8. Petri neural network model for the effect of controlled thermomechanical process parameters on the mechanical properties of HSLA steels

    Energy Technology Data Exchange (ETDEWEB)

    Datta, S.

    1999-10-01

    The effect of composition and controlled thermomechanical process parameters on the mechanical properties of HSLA steels is modelled using the Widrow-Hoff's concept of training a neural net with feed-forward topology by applying Rumelhart's back propagation type algorithm for supervised learning, using a Petri like net structure. The data used are from laboratory experiments as well as from the published literature. The results from the neural network are found to be consistent and in good agreement with the experimented results. (author)

  9. Effect of thermo-mechanical treatments on the microstructure and mechanical properties of an ODS ferritic steel

    International Nuclear Information System (INIS)

    Oksiuta, Z.; Mueller, P.; Spaetig, P.; Baluc, N.

    2011-01-01

    The Fe-14Cr-2W-0.3Ti-0.3Y 2 O 3 oxide dispersion strengthened (ODS) reduced activation ferritic (RAF) steel was fabricated by mechanical alloying of a pre-alloyed, gas atomised powder with yttria nano-particles, followed by hot isostatic pressing and thermo-mechanical treatments (TMTs). Two kinds of TMT were applied: (i) hot pressing, or (ii) hot rolling, both followed by annealing in vacuum at 850 deg. C. The use of a thermo-mechanical treatment was found to yield strong improvement in the microstructure and mechanical properties of the ODS RAF steel. In particular, hot pressing leads to microstructure refinement, equiaxed grains without texture, and an improvement in Charpy impact properties, especially in terms of the upper shelf energy (about 4.5 J). Hot rolling leads to elongated grains in the rolling direction, with a grain size ratio of 6:1, higher tensile strength and reasonable ductility up to 750 deg. C, and better Charpy impact properties, especially in terms of the ductile-to-brittle transition temperature (about 55 deg. C).

  10. Effect of thermo-mechanical treatments on the microstructure and mechanical properties of an ODS ferritic steel

    Energy Technology Data Exchange (ETDEWEB)

    Oksiuta, Z., E-mail: oksiuta@pb.edu.pl [Bialystok Technical University, Mechanical Department, Wiejska 45c, 15-351 Bialystok (Poland); Mueller, P.; Spaetig, P.; Baluc, N. [Ecole Polytechnique Federale de Lausanne (EPFL), Centre de Recherches en Physique des Plasmas, Association Euratom-Confederation Suisse, 5232 Villigen PSI (Switzerland)

    2011-05-15

    The Fe-14Cr-2W-0.3Ti-0.3Y{sub 2}O{sub 3} oxide dispersion strengthened (ODS) reduced activation ferritic (RAF) steel was fabricated by mechanical alloying of a pre-alloyed, gas atomised powder with yttria nano-particles, followed by hot isostatic pressing and thermo-mechanical treatments (TMTs). Two kinds of TMT were applied: (i) hot pressing, or (ii) hot rolling, both followed by annealing in vacuum at 850 deg. C. The use of a thermo-mechanical treatment was found to yield strong improvement in the microstructure and mechanical properties of the ODS RAF steel. In particular, hot pressing leads to microstructure refinement, equiaxed grains without texture, and an improvement in Charpy impact properties, especially in terms of the upper shelf energy (about 4.5 J). Hot rolling leads to elongated grains in the rolling direction, with a grain size ratio of 6:1, higher tensile strength and reasonable ductility up to 750 deg. C, and better Charpy impact properties, especially in terms of the ductile-to-brittle transition temperature (about 55 deg. C).

  11. Microstructures and Properties of 40Cu/Ag(Invar) Composites Fabricated by Powder Metallurgy and Subsequent Thermo-Mechanical Treatment

    Science.gov (United States)

    Zhang, Xin; Huang, Yingqiu; Liu, Xiangyu; Yang, Lei; Shi, Changdong; Wu, Yucheng; Tang, Wenming

    2018-03-01

    Composites of 40Cu/Ag(Invar) were prepared via pressureless sintering and subsequent thermo-mechanical treatment from raw materials of electroless Ag-plated Invar alloy powder and electrolytic Cu powder. Microstructures and properties of the prepared composites were studied to evaluate the effect of the Ag layer on blocking Cu/Invar interfacial diffusion in the composites. The electroless-plated Ag layer was dense, uniform, continuous, and bonded tightly with the Invar alloy substrate. During sintering of the composites, the Ag layer effectively prevented Cu/Invar interfacial diffusion. During cold-rolling, the Ag layer was deformed uniformly with the Invar alloy particles. The composites exhibited bi-continuous network structure and considerably improved properties. After sintering at 775 °C and subsequent thermo-mechanical treatment, the 40Cu/Ag(Invar) composites showed satisfactory comprehensive properties: relative density of 99.0 pct, hardness of HV 253, thermal conductivity of 55.7 W/(m K), and coefficient of thermal expansion of 11.2 × 10-6/K.

  12. Effect of gluten, egg and soy proteins on the rheological and thermo-mechanical properties of wholegrain rice flour.

    Science.gov (United States)

    Pătraşcu, Livia; Banu, Iuliana; Vasilean, Ina; Aprodu, Iuliana

    2017-03-01

    The effect of protein addition on the rheological, thermo-mechanical and baking properties of wholegrain rice flour was investigated. Gluten, powdered eggs and soy protein concentrate were first analyzed in terms of rheological properties, alone and in admixture with rice flour. The temperature ramp tests showed clear differences in the rheological behavior of the batters supplemented with different proteins. The highest thermal stability was observed in case of soy protein samples. Frequency sweep tests indicated significant improvements of the rheological properties of rice flour supplemented with 15% gluten or soy proteins. The thermo-mechanical tests showed that, due to the high fat contents and low level of free water, the dough samples containing powdered eggs exhibited the highest stability. Addition of gluten resulted in a significant decrease of the dough development time, whereas samples with powdered eggs and soy proteins were more difficult to hydrate. The incorporation of proteins into the rice flour-based dough formulations significantly affected starch behavior by decreasing the peak consistency values. Concerning the quality of the rice flour-based breads, soy protein addition resulted in lighter crumb color and increased texture attributes, samples with gluten had better resilience and adhesiveness, whereas breads with egg protein were less brittle.

  13. Effect of TMP variables upon structure and properties in ODS alloy HDA 8077 sheet. [ThermoMechanical Processing of Oxide Dispersion Strengthened nickel alloy

    Science.gov (United States)

    Rothman, M. F.; Tawancy, H. M.

    1980-01-01

    The effects of oxide content level and variations in thermomechanical processing upon the final structure and properties of HDA 8077 sheet have been systematically examined. It was found that creep strength and formability are substantially influenced by both oxide content and TMP schedule. Variations in creep properties obtained appear to correlate with observed microstructures.

  14. Shape distortion and thermo-mechanical properties of SOFC components from green tape to sintering body

    DEFF Research Database (Denmark)

    Teocoli, Francesca; Ni, De Wei; Tadesse Molla, Tesfaye

    due to binder burn out, differential shrinkage behavior and to a potential interfacial reaction between the two materials. To analyze the phenomena, shrinkage of SOFC components single layers and bilayered samples were measured insitu by optical dilatometer. The densification mismatch stress, due...... to the strain rate difference between materials, was calculated using Cai’s model. Camber (curvature) development for in situ co-firing of a bi-layer ceramic green tape has been investigated. Analysis of shape evolution from green to sintered body can be carried out by the thermo-mechanical analysis techniques....

  15. Structural and thermomechanical properties of the zinc-blende AlX (X = P, As, Sb) compounds

    Science.gov (United States)

    Ha, Vu Thi Thanh; Hung, Vu Van; Hanh, Pham Thi Minh; Nguyen, Viet Tuyen; Hieu, Ho Khac

    2017-08-01

    The structural and thermomechanical properties of zinc-blende aluminum class of III-V compounds have been studied based on the statistical moment method (SMM) in quantum statistical mechanics. Within the SMM scheme, we derived the analytical expressions of the nearest-neighbor distance, thermal expansion coefficient, atomic mean-square displacement and elastic moduli (Young’s modulus, bulk modulus and shear modulus). Numerical calculations have been performed for zinc-blende AlX (X = As, P, Sb) at ambient conditions up to the temperature of 1000 K. Our results are in good and reasonable agreements with earlier measurements and can provide useful references for future experimental and theoretical works. This research presents a systematic approach to investigate the thermodynamic and mechanical properties of materials.

  16. Thermo-Mechanical Characterisation of In-Plane Properties for CSM E-glass Epoxy Polymer Composite Materials – Part 1

    DEFF Research Database (Denmark)

    Jakobsen, Johnny; Jensen, Martin; Andreasen, Jens H.

    2013-01-01

    The in-plane thermo-mechanical properties and residual stresses of a CSM E-glass/Epoxy material are characterised through the use of DSC and TMA. The measured data is used to generate material models which describe the mechanical behaviour as a function of conversion and temperature. The in-plane...

  17. PECULIARITIES OF FORMATION OF STRUCTURE AND PROPERTIES AT THERMO-MECHANICAL PROCESSING OF ROLLED WIRE OF NICKEL-MOLYBDENUM STEEL WITH WELDING FUNCTION

    Directory of Open Access Journals (Sweden)

    V. A. Lutsenko

    2012-01-01

    Full Text Available There are results of researches of the mechanical properties and structure of the wire rod made of low-carbon nickel molybdenum steel after reduction to toughness thermomechanical treatment in the stream of high-speed wire mill.

  18. Effect of thermo-mechanical refining pressure on the properties of wood fibers as measured by nanoindentation and atomic force microscopy

    Science.gov (United States)

    Cheng Xing; Siqun Wang; George M. Pharr; Leslie H. Groom

    2008-01-01

    Refined wood fibers of a 54-year-old loblolly pine (Pinus taeda L.) mature wood were investigated by nanoindentation and atomic force microscopy (AFM). The effect of steam pressure, in the range of 2?18 bar, during thermomechanical refining was investigated and the nanomechanical properties and nano- or micro-level damages of the cell wall were...

  19. Nanocomposites based on epoxy resin and montmorillonite: effect of clay percent and dispersion state on thermomechanical properties

    International Nuclear Information System (INIS)

    Zaioncz, Soraia; Soares, Bluma G.

    2009-01-01

    Nanocomposites of epoxy resin modified with PMMA and montmorillonite organophilic were synthesized with clay content equal to 0.1, 1, 2.5, 5 and 7 (wt %). Dispersion state and the nano structure of materials has been investigated using small angle X-ray scattering (SAXS). The nanocomposites containing 0.1 (wt %) of clay showed an exfoliated morphology, while the nanocomposites with higher clay content (1 to 7 wt %) show that the dispersion state is less uniform and that large aggregates coexist with tactoids stacks of two or three platelets. The nano structure of materials was correlated with its thermomechanical properties obtained by DMTA. The results showed an increase in Tg of the materials to clay content of up to 5 wt % and an increase in the storage modulus for the epoxy matrix. (author)

  20. Investigation on thermomechanical properties of poly (l-lactic acid) for the stretch blow moulding process of bioresorbable vascular scaffold

    Science.gov (United States)

    Wei, Huidong; Menary, Gary

    2017-10-01

    Stretch blow moulding process has been used for the manufacture of bioresorbable vascular scaffold (BVS) made by poly (l-lactic acid) (PLLA) to improve its mechanical performance. In order to better understand the process, thermomechanical properties of PLLA were investigated by experimental method. Extruded PLLA sheets were biaxial stretched under strain rate of 1s-1, 4s-1 and 16s-1 to simulate the deformation process applicable in the blow moulding process. Both the equal-biaxial stretch and constant-width stretch were conducted by an in-house developed equipment. By differential scanning calorimeter (DSC), thermal analysis for materials before and after stretch were compared to evaluate the microstructural change of PLLA materials in the deformation process. A constitutive model based on glass rubber model was presented to simulate the mechanical behaviour of PLLA above glass transition under biaxial deformation.

  1. Effects of thermomechanical processing on microstructure and properties of bainitic work hardening steel

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Jie, E-mail: caojie910@ahut.edu.cn [School of Metallurgical Engineering, Anhui University of Technology, Ma’anshan 243002 (China); Yan, Jun; Zhang, Jing [School of Metallurgical Engineering, Anhui University of Technology, Ma’anshan 243002 (China); Yu, Tongren [Technology Center, Maanshan Iron & Steel Company Limited, Ma’anshan 243000 (China)

    2015-07-15

    The thermomechanical processing (TMP) of a bainitic work hardening steel was carried out on a Gleeble3500 simulator. The microstructure of processed specimens was investigated by means of optical and electron microscopy, and tensile tests were performed in a ZwickRoell tensile tester. The deformation temperatures of austenite varied from 800 °C to 900 °C. The cooling methods include single rate cooling method and two-stage cooling method. The two-stage cooling method includes fast cooling rates ranging from 4 °C/s to 12 °C/s and slow cooling rates ranging from 1 °C/s to 2 °C/s. It is shown that, within the range of parameters tested, the obtained microstructures are granular bainite, the tensile strength of the steel can be adjusted from 897.8 MPa to 1083.2 MPa, and good plasticity can be obtained at different strength levels.

  2. Thermo-mechanical and micro-structural properties of xylanase containing whole wheat bread

    Directory of Open Access Journals (Sweden)

    G. Ghoshal

    2016-12-01

    Full Text Available Xylanase is a hemicellulase that can hydrolyses the complex polysaccharides. Hemicelluloses are main components of cell walls of cereal grains. Moreover, hemicelluloses are considered as potential sources of mono- and oligosaccharides. In this study, influence of xylanase on the physicochemical properties and sensory qualities of the whole wheat bread during storage was investigated. Studies of whole wheat bread on microstructure, texture, thermotics, Scanning Electron Microscopic (SEM, X-Ray Diffraction (XRD were conducted at ambient temperature of 25 and 4 °C respectively. During storage at different temperatures, bread containing xylanase exhibited less firmness but larger volume with whiter crumb color and longer shelf life as compared to control bread. Results of firmness, enthalpy, Fourier Transformation Infra Red (FTIR and X-Ray Diffraction (XRD studies suggested a lower staling rate of bread containing xylanase as compared to control one. Bread containing xylanase showed a smoother surface and more uniform pore size than the control. Significant differences in microstructure of control and bread containing xylanase were observed which might be attributed due to the change in water starch gluten interaction. These differences were also found to be interrelated to the textural properties of bread. Better sensory features were achieved in bread containing xylanase.

  3. Thermo-mechanical properties of W/Mo markers coatings deposited on bulk W

    International Nuclear Information System (INIS)

    Grigore, E; Ruset, C; Gherendi, M; Chioibasu, D; Hakola, A

    2016-01-01

    In the present paper marker structures consisting of W/Mo layers were deposited on bulk W samples by using a modified CMSII method. This technology, compared to standard CMSII, prevents the formation of nano-pore structures at interfaces. The thicknesses of the markers were in the range 20–35 μm to balance the requirements associated with the wall erosion in ITER and thermo-mechanical performances. The coatings structure and composition were evaluated by glow discharge optical emission spectrometry (GDOES), and energy dispersive x-ray spectroscopy measurements (EDX). The adhesion of the coatings to the substrate has been assessed by scratch test method. In order to evaluate their effectiveness as potential markers for fusion applications, the marker coatings have been tested in an electron beam facility at a temperature of 1000 °C and a power density of about 3 MW m −2 . A number of 300 pulses with duration of 420 s (35 testing hours) were applied on the marker coated samples. (paper)

  4. Thermo-mechanical properties of W/Mo markers coatings deposited on bulk W

    Science.gov (United States)

    Grigore, E.; Ruset, C.; Gherendi, M.; Chioibasu, D.; Hakola, A.; contributors, JET

    2016-02-01

    In the present paper marker structures consisting of W/Mo layers were deposited on bulk W samples by using a modified CMSII method. This technology, compared to standard CMSII, prevents the formation of nano-pore structures at interfaces. The thicknesses of the markers were in the range 20-35 μm to balance the requirements associated with the wall erosion in ITER and thermo-mechanical performances. The coatings structure and composition were evaluated by glow discharge optical emission spectrometry (GDOES), and energy dispersive x-ray spectroscopy measurements (EDX). The adhesion of the coatings to the substrate has been assessed by scratch test method. In order to evaluate their effectiveness as potential markers for fusion applications, the marker coatings have been tested in an electron beam facility at a temperature of 1000 °C and a power density of about 3 MW m-2. A number of 300 pulses with duration of 420 s (35 testing hours) were applied on the marker coated samples.

  5. Thermomechanical stability of underground installations: significance of the thermophysical properties of rocks

    International Nuclear Information System (INIS)

    Mirkovich, V.

    1981-01-01

    When heat is generated in an underground installation, there are several interdependent factors-such as the rate of heat dissipation, changes in this rate with temperature, or the effects of thermal gradients and thermal expansivities-which influence the stability of the rock mass. To evaluate the thermomechanical stability of a proposed site for an underground nuclear power station, rock specimens from a 300 m deep drill core were obtained, and their thermal diffusivity and linear thermal expansion were measured between 25 0 C and 500 0 C. The thermal conductivity was also measured, in the temperature range 100-500 0 C. Under normal operating conditions, heat transfer to the surface of the rock mass surrounding the power installation would be low. However, in some contingencies, this heat load could become large. The results are discussed from the point of view of the stability of a rock enclosure at higher heat fluxes; they indicate that the rocks studied would, in general, not be suitable as an unprotected wall for containment of such a heat source. (author)

  6. Data on synthesis and thermo-mechanical properties of stimuli-responsive rubber materials bearing pendant anthracene groups.

    Science.gov (United States)

    Manhart, Jakob; Ayalur-Karunakaran, Santhosh; Radl, Simone; Oesterreicher, Andreas; Moser, Andreas; Ganser, Christian; Teichert, Christian; Pinter, Gerald; Kern, Wolfgang; Griesser, Thomas; Schlögl, Sandra

    2016-12-01

    The photo-reversible [4πs+4πs] cycloaddition reaction of pendant anthracene moieties represents a convenient strategy to impart wavelength dependent properties into hydrogenated carboxylated nitrile butadiene rubber (HXNBR) networks. The present article provides the 1 H NMR data on the reaction kinetics of the side chain functionalization of HXNBR. 2-(Anthracene-9-yl)oxirane with reactive epoxy groups is covalently attached to the polymer side chain of HXNBR via ring opening reaction between the epoxy and the carboxylic groups. Along with the identification, 1 H NMR data on the quantification of the attached functional groups are shown in dependence on reaction time and concentration of 2-(anthracene-9-yl)oxirane. Changes in the modification yield are reflected in the mechanical properties and DMA data of photo-responsive elastomers are illustrated in dependence on the number of attached anthracene groups. DMA curves over repeated cycles of UV induced crosslinking ( λ >300 nm) and UV induced cleavage ( λ =254 nm) are further depicted, demonstrating the photo-reversibility of the thermo-mechanical properties. Interpretation and discussion of the data are provided in "Design and application of photo-reversible elastomer networks by using the [4πs+4πs] cycloaddition reaction of pendant anthracene groups" (Manhart et al., 2016) [1].

  7. Data on synthesis and thermo-mechanical properties of stimuli-responsive rubber materials bearing pendant anthracene groups

    Directory of Open Access Journals (Sweden)

    Jakob Manhart

    2016-12-01

    Full Text Available The photo-reversible [4πs+4πs] cycloaddition reaction of pendant anthracene moieties represents a convenient strategy to impart wavelength dependent properties into hydrogenated carboxylated nitrile butadiene rubber (HXNBR networks. The present article provides the 1H NMR data on the reaction kinetics of the side chain functionalization of HXNBR. 2-(Anthracene-9-yloxirane with reactive epoxy groups is covalently attached to the polymer side chain of HXNBR via ring opening reaction between the epoxy and the carboxylic groups. Along with the identification, 1H NMR data on the quantification of the attached functional groups are shown in dependence on reaction time and concentration of 2-(anthracene-9-yloxirane. Changes in the modification yield are reflected in the mechanical properties and DMA data of photo-responsive elastomers are illustrated in dependence on the number of attached anthracene groups. DMA curves over repeated cycles of UV induced crosslinking (λ>300 nm and UV induced cleavage (λ=254 nm are further depicted, demonstrating the photo-reversibility of the thermo-mechanical properties. Interpretation and discussion of the data are provided in “Design and application of photo-reversible elastomer networks by using the [4πs+4πs] cycloaddition reaction of pendant anthracene groups” (Manhart et al., 2016 [1].

  8. Effect of partially hydrolyzed guar gum on pasting, thermo-mechanical and rheological properties of wheat dough.

    Science.gov (United States)

    Mudgil, Deepak; Barak, Sheweta; Khatkar, B S

    2016-12-01

    Partially hydrolyzed guar gum was prepared using enzymatic hydrolysis of native guar gum that can be utilized as soluble fiber source. The effect of partially hydrolyzed guar gum (PHGG) on pasting, thermo-mechanical and rheological properties of wheat flour was investigated using rapid visco-analyzer, Mixolab and Microdoughlab. Wheat flour was replaced with 1-5g PHGG per 100g of wheat flour on weight basis. PHGG addition decreased the peak, trough, breakdown, setback and final viscosity of wheat flour. Water absorption and amylase activity of wheat dough were increased whereas starch gelatinization and protein weakening of wheat dough were reduced as a result of PHGG addition to wheat flour. PHGG addition also increased the peak dough height, arrival time, dough development time, dough stability and peak energy of wheat dough system. However, dough softening was decreased after PHGG addition to wheat flour dough. Overall, it can be assumed that PHGG has influenced the properties of wheat flour dough system by decreasing the RVA viscosities and increasing the water absorption and starch gelatinization of wheat dough system. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Methacrylate based cross-linkers for improved thermomechanical properties and retention of radiation detection response in plastic scintillators

    Science.gov (United States)

    Mahl, Adam; Lim, Allison; Latta, Joseph; Yemam, Henok A.; Greife, Uwe; Sellinger, Alan

    2018-03-01

    Pulse shape discrimination (PSD) is an important method that can efficiently sort and separate neutron and gamma radiation signals. PSD is currently achieved in plastic scintillators by over-doping poly(vinyl toluene) (PVT) matrices with fluorescent molecules. Meaningful separation of the signals requires addition of >20 wt% 2,5-diphenyloxazole (PPO) fluor in PVT. At these concentrations PPO acts as a plasticizer, negatively affecting the physical properties of the final plastic such as hardness, machinability, and thermomechanical stability. This work addresses these issues by implementing a cost-effective solution using cross-linking chemistry via commercially available bisphenol A dimethacrylate (BPA-DM), and a synthesized fluorinated analogue. Both improve the physical properties of over-doped PPO based plastic scintillators without degrading the measured light yield or PSD and Figure of Merit (FoM). In addition, the fluorinated analogue appears to enhance the hydrophobicity of the surface of the plastic scintillators, which may improve the scintillators' resistance to water diffusion and subsequent radiation response degradation. The new formulations improve the feasibility of widely deploying long lifetime PSD capable plastic scintillators in large area coverage assemblies.

  10. Influence of PVA and silica on chemical, thermo-mechanical and electrical properties of Celluclast-treated nanofibrillated cellulose composites.

    Science.gov (United States)

    Poyraz, Bayram; Tozluoğlu, Ayhan; Candan, Zeki; Demir, Ahmet; Yavuz, Mustafa

    2017-11-01

    This study reports on the effects of organic polyvinyl alcohol (PVA) and inorganic silica polymer on properties of Celluclast-treated nanofibrillated cellulose composites. Nanofibrillated cellulose was isolated from Eucalyptus camaldulensis and prior to high-pressure homogenizing was pretreated with Celluclast enzyme in order to lower energy consumption. Three nanocomposite films were fabricated via the casting process: nanofibrillated cellulose (CNF), nanocellulose-PVA (CNF-P) and nanocellulose-silica (CNF-Si). Chemical characterization, crystallization and thermal stability were determined using FT-IR and TGA. Morphological alterations were monitored with SEM. The Young's and storage moduli of the nanocomposites were determined via a universal testing machine and DTMA. The real and imaginary parts of permittivity and electric modulus were evaluated using an impedance analyzer. The crystallinity values of the nanocomposites calculated from the FT-IR were in agreement with the TGA results, showing that the lowest crystallinity value was in the CNF-Si. The CNF-P displayed the highest tensile strength. At a high temperature interval, the storage modulus of the CNF-Si was greater than that of the CNF or CNF-P. The CNF-Si also exhibited a completed singular relaxation process, while the CNF and the CNF-P processes were uncompleted. Consequently, in terms of industrial applications, although the CNF-P composite had mechanical advantages, the CNF-Si composite displayed the best thermo-mechanical properties. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Influence of different hydrocolloids on dough thermo-mechanical properties and in vitro starch digestibility of gluten-free steamed bread based on potato flour.

    Science.gov (United States)

    Liu, Xingli; Mu, Taihua; Sun, Hongnan; Zhang, Miao; Chen, Jingwang; Fauconnier, Marie Laure

    2018-01-15

    The effects of hydrocolloids (hydroxypropylmethylcellulose (HPMC), Carboxymethylcellulose (CMC), xanthan gum (XG), and apple pectin (AP)) at different concentrations on dough thermo-mechanical properties and in vitro starch digestibility of gluten-free potato steamed bread were investigated. Results showed that hydrocolloids addition significantly increased the gelatinization temperature (from 52.0 to 64.2°C) and water absorption (from 56.22 to 66.50%) of potato dough. Moreover, hydrocolloids may be interacted with protein and starch, the density of potato protein bands was decreased by hydrocolloids addition, the reason might be that higher molecular weight complexes might be formed between proteins-hydrocolloids or proteins-proteins, thus change the protein solubility. Furthermore, steamed breads with hydrocolloids presented higher specific volume and lower hardness, and the rapidly digestible starch and estimated glycemic index were significantly decreased from 45.51 to 20.64, from 69.54 to 55.17, respectively. In conclusion, HPMC and XG could be used as improvers in the gluten-free potato steamed bread. Copyright © 2017. Published by Elsevier Ltd.

  12. Thermomechanical properties of polyurethane insulation used in district heating pipes; Termomekaniska egenskaper hos kulvertisolering av PUR-cellplast

    Energy Technology Data Exchange (ETDEWEB)

    Bergstroem, G.; Karlsson, Jonas [Swedish National Testing and Research Inst., Goeteborg (Sweden)

    1996-08-01

    The load bearing capacity of the types of rigid expanded polyurethane which is used as insulation in underground mains in district heating systems has been studied in this project over the temperature range 23 deg C to 170 deg C. The objective has been to acquire such knowledge concerning the thermal and mechanical properties of the materials that their load bearing capacity can be predicted for a service life of at least 30 years. Two reference materials and two commercial materials have been studied in addition to two materials produced in the laboratory. The investigations were mainly performed as creep tests at definite temperature levels, and extended over periods ranging from 1 hour to 2 years. An endeavour was then made to incorporate the results into a general thermomechanical model, with different parameters adapting the model to the different materials. The comprehensive description of time and temperature dependence is given in the form of master curves for the temperature 100 deg C and with conversion factors for other temperatures. The measurements have shown that PUR insulation has a more complicated time and temperature dependence than had been expected. This means that the descriptions of material behaviour presented must be seen as a first approximation that must be improved in order that an adequate margin of safety may be attained in the planned FEM calculations for underground heating mains subjected to long term loading. 15 refs, 34 figs

  13. Physical and mechanical properties of a thermomechanically treated NiTi wire used in the manufacture of rotary endodontic instruments.

    Science.gov (United States)

    Pereira, E S J; Peixoto, I F C; Viana, A C D; Oliveira, I I; Gonzalez, B M; Buono, V T L; Bahia, M G A

    2012-05-01

    To compare physical and mechanical properties of one conventional and one thermomechanically treated nickel-titanium (NiTi) wire used to manufacture rotary endodontic instruments. Two NiTi wires 1.0 mm in diameter were characterized; one of them, C-wire (CW), was processed in the conventional manner, and the other, termed M-Wire (MW), received an additional heat treatment according to the manufacturer. Chemical composition was determined by energy-dispersive X-ray spectroscopy, phase constitution by XRD and the transformation temperatures by DSC. Tensile loading/unloading tests and Vickers microhardness measurements were performed to assess the mechanical behaviour. Data were analysed using analysis of variance (α = 0.05). The two wires showed approximately the same chemical composition, close to the 1 : 1 atomic ratio, and the β-phase was the predominant phase present. B19' martensite and the R-phase were found in MW, in agreement with the higher transformation temperatures found in this wire compared with CW, whose transformation temperatures were below room temperature. Average Vickers microhardness values were similar for MW and CW (P = 0.91). The stress at the transformation plateau in the tensile load-unload curves was lower and more uniform in the M-Wire, which also showed the smallest stress hysteresis and apparent elastic modulus. The M-Wire had physical and mechanical properties that can render endodontic instruments more flexible and fatigue resistant than those made with conventionally processed NiTi wires. © 2011 International Endodontic Journal.

  14. Numerical Investigation of Thermal and Thermo-mechanical Effective Properties for Short Fibre Reinforced Composite

    Science.gov (United States)

    Ioannou, Ioannis; Hodzic, Alma; Gitman, Inna M.

    2017-10-01

    This study aims to investigate the thermal conductivity and the linear coefficient of thermal expansion for short fibre reinforced composites. The study combines numerical and statistical analyses in order to primarily examine the representative size and the effective properties of the volume element. Effects of various micromechanical parameters, such as fibre's aspect ratio and fibre's orientation, on the minimum representative size are discussed. The numerically acquired effective properties, obtained for the representative size, are presented and compared with analytical models.

  15. The Impact of Halloysite on the Thermo-Mechanical Properties of Polymer Composites.

    Science.gov (United States)

    Gaaz, Tayser Sumer; Sulong, Abu Bakar; Kadhum, Abdul Amir H; Al-Amiery, Ahmed A; Nassir, Mohamed H; Jaaz, Ahed Hameed

    2017-05-20

    Nanotubular clay minerals, composed of aluminosilicate naturally structured in layers known as halloysite nanotubes (HNTs), have a significant reinforcing impact on polymer matrixes. HNTs have broad applications in biomedical applications, the medicine sector, implant alloys with corrosion protection and manipulated transportation of medicines. In polymer engineering, different research studies utilize HNTs that exhibit a beneficial enhancement in the properties of polymer-based nanocomposites. The dispersion of HNTs is improved as a result of pre-treating HNTs with acids. The HNTs' percentage additive up to 7% shows the highest improvement of tensile strength. The degradation of the polymer can be also significantly improved by doping a low percentage of HNTs. Both the mechanical and thermal properties of polymers were remarkably improved when mixed with HNTs. The effects of HNTs on the mechanical and thermal properties of polymers, such as ultimate strength, elastic modulus, impact strength and thermal stability, are emphasized in this study.

  16. Thermomechanical and hygroelastic properties of an epoxy system under humid and cold-warm cycling conditions

    KAUST Repository

    El Yagoubi, Jalal; Lubineau, Gilles; Saghir, Shahid; Verdu, Jacques; Askari, Abe H.

    2014-01-01

    In this paper, we study the hygrothermal aging of an anhydride-cured epoxy under temperature and hygrometry conditions simulating those experienced by an aircraft in wet tropical or subtropical regions. Gravimetric and dimensional measurements were performed and they indicate that there are three stages in this aging process: the first one, corresponding to the early cycles can be called the "induction stage". The second stage of about 1000 cycles duration, could be named the "swelling stage", during which the volume increase is almost equal to the volume of the (liquid) water absorbed. Both the first and second stages are accompanied by modifications of the mechanical properties and the glass transition temperature. During the third ("equilibrium") stage, up to 3000 cycles, there is no significant change in the physical properties despite the continuous increase of water uptake. This can be explained by the fact that only physically sorbed water can influence physical properties. © 2013 Elsevier Ltd. All rights reserved.

  17. Bidirectional Thermo-Mechanical Properties of Foam Core Materials Using DIC

    DEFF Research Database (Denmark)

    Taher, Siavash Talebi; Thomsen, Ole Thybo; M Dulieu-Barton, Janice

    2011-01-01

    mechanical properties at room and at elevated temperatures. The MAF enables the realization of pure compression or high compression to shear bidirectional loading conditions that is not possible with conventional Arcan fixtures. The MAF is attached to a standard universal test machine equiped...... with an environmental chamber using specially designed grips that allow the specimen to rotate, and hence reduces paristic effects due to misalignment. The objective is to measure the unidirectional and bidirectional mechanical properties of PVC foam materials at elevated tempreature using digital image correlation...

  18. Effect of thermomechanical conditions of deformation on structure and properties of tungsten wire

    International Nuclear Information System (INIS)

    Pavlov, I.M.; Ushakov, E.V.; Karavajtsev, V.I.; Drobysheva, E.K.; Tiraspol'skij, V.I.; Zelentsova, N.M.; Gruzdov, V.V.

    1983-01-01

    The purpose of the investigation is to specify the relation between conditions of plastic deformation of non-slacked tungsten, structure and properties of rods and wire. Planning multifactor experiments is chosen as the basic method for investigation. It is shown that rationai choice of plastic working conditions permits to reduce the tendency to lamination of tungsten wire. Growth of wire ductility is followed by decrease of its residual electroresistance. Rapid porocedure of return due to precipitation of dissolved admixtures is the main reason for improving plastic properties of the wire

  19. Mechanical and degradation property improvement in a biocompatible Mg-Ca-Sr alloy by thermomechanical processing.

    Science.gov (United States)

    Henderson, Hunter B; Ramaswamy, Vidhya; Wilson-Heid, Alexander E; Kesler, Michael S; Allen, Josephine B; Manuel, Michele V

    2018-04-01

    Magnesium-based alloys have attracted interest as a potential material to comprise biomedical implants that are simultaneously high-strength and temporary, able to provide stabilization before degrading safely and able to be excreted by the human body. Many alloy systems have been evaluated, but this work reports on improved properties through hot extrusion of one promising alloy: Mg-1.0 wt% Ca-0.5 wt%Sr. This alloy has previously demonstrated promising toxicity and degradation properties in the as-cast and rolled conditions. In the current study extrusion causes a dramatic improvement in the mechanical properties in tension and compression, as well as a low in vitro degradation rate. Microstructure (texture, second phase distribution, and grain size), bulk mechanical properties, flow behavior, degradation in simulated body fluid, and effect on osteoblast cyctotoxicity are evaluated and correlated to extrusion temperature. Maximum yield strength of 300 MPa (above that of annealed 316 stainless steel) with 10% elongation is observed, making this alloy competitive with existing implant materials. Copyright © 2018 The Author(s). Published by Elsevier Ltd.. All rights reserved.

  20. Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose Iâ

    Science.gov (United States)

    Fernando L. Dri; Xiawa Wu; Robert J. Moon; Ashlie Martini; Pablo D. Zavattieri

    2015-01-01

    Molecular dynamics simulation is commonly used to study the properties of nanocellulose-based materials at the atomic scale. It is well known that the accuracy of these simulations strongly depends on the force field that describes energetic interactions. However, since there is no force field developed specifically for cellulose, researchers utilize models...

  1. Microstructure evolution and mechanical properties of T15 high speed steel prepared by twin-atomiser spray forming and thermo-mechanical processing

    International Nuclear Information System (INIS)

    Zhang, Guoqing; Yuan, Hua; Jiao, Dongling; Li, Zhou; Zhang, Yong; Liu, Zhongwu

    2012-01-01

    Spray formed T15 high speed steel (HSS) billets were deposited using a state-of-the-art twin-atomiser spray forming facility. The effects of post thermo-mechanical processing (hot isostatic pressing and hot forging) and heat treatment on the microstructure and mechanical properties were investigated. As-deposited billet has a density over 99.3% of the theoretical value and no measurable macro-segregation was observed. The microstructure consists of the equiaxed grains with mean size of ∼18 μm and MC- and M 6 C-type carbides non-uniformly distributed inside the grains and along the grain boundaries. After optimal thermo-mechanical processing and heat treatment, the microstructure was composed of equiaxed fine tempered martensites, and refined M 6 C and MC spherical carbides particles uniformly distributed along the grain boundaries and inside the grains. The hardness reached HRC68 after thermo-mechanical processing, and the corresponding impact toughness and bending strength reached 27 J/cm 2 and 4600 MPa respectively. Although HIP cannot increase the bending strength significantly, it can effectively improve the impact toughness through refining and globurizing carbides.

  2. Effects of Nanofillers on the Thermo-Mechanical Properties and Chemical Resistivity of Epoxy Nanocomposites.

    Science.gov (United States)

    Atchudan, Raji; Pandurangan, Arumugam; Joo, Jin

    2015-06-01

    MWCNTs was synthesized using Ni-Cr/MgO by CVD method and were purified. The purified MWCNT was used as a filler material for the fabrication of epoxy nanocomposites. The epoxy nanocomposites with different amount (wt% = 0.5, 1.0, 2.0, 3.0, 4.0 and 5.0) of nanofillers (CB, SiO2 and MWCNTs) were prepared by casting method. The effects of nanofillers on the properties of neat epoxy matrix were well studied. The thermal properties of nanocomposites were studied using DSC, TGA and flame retardant, and also the mechanical properties such as tensile strength, flexural strength, compressive strength, impact strength, determination of hardness and chemical resistance were studied extensively. Based on the experiment's results, 2 wt% MWCNTs loading in epoxy resin showed the highest improvement in tensile strength, as compared to neat epoxy and to other epoxy systems (CB/epoxy, SiO2/epoxy). Improvements in tensile strength, glass transition temperature and decomposition temperature were observed by the addition of MWCNTs. The mechanical properties of the epoxy nanocomposites were improved due to the interfacial bonding between the MWCNTs and epoxy resin. Strain hardening behavior was higher for MWCNT/epoxy nanocomposites compared with CB/epoxy and SiO2/epoxy nanocomposites. The investigation of thermal and mechanical properties reveals that the incorporation of MWCNTs into the epoxy nanocomposites increases its thermal stability to a great extent. Discrete increase of glass transition temperature of nanocomposites is linearly dependent on MWCNTs content. Due to strong interfacial bonding between MWCNTs and epoxy resin, the chemical resistivity of MWCNT/epoxy nanocomposites is superior to neat epoxy and other epoxy systems.

  3. Fabrication and thermomechanical properties of nano-SiC/carbon nano-tubes composites

    International Nuclear Information System (INIS)

    Lanfant, Briac

    2014-01-01

    Ceramic carbides materials such as SiC, due to their refractory nature and their low neutron absorption are believed to be promising candidates for high temperature nuclear or aerospace applications. However, SiC brittleness has limited its structural application. In this context this work examines in a first part the possibilities to perform dense nano-structured SiC matrix by SPS without the use of sintering additive. Indeed a reduction of grain size (below 100 nm) accompanied by a high final density seem to be the solutions to counteract the brittleness and thus to improve mechanical properties. Dense (95%) and nano-structured (grain size around 100 nm) SiC samples were obtained thanks to the realization of an effective dispersion technique and the study on the sintering parameters effect. High hardness (2200 Hv) and decent fracture toughness (3.0 MPa.m1/2) were achieved. This first work also showed the preponderant influence of recurrent pollutants (oxygen and carbon) found in SiC powders on the final microstructure and mechanical properties of sintered samples. The oxygen as silica or silicon oxycarbide seems to promote densification mechanisms while free carbon (3.5 %wt) causes lower grain size and densification state. Mechanical properties with carbon are also negatively impacted (950 Hv and 2.4 MPa.m1/2). Such degradation is due by the specific localization of carbon structure between the grains. In return of the expected mechanical properties improvement by reducing the grain size, the thermal conductivity is drastically decrease of due to the phonon scattering at the grain boundaries. With the aim of reducing this effect, a second study was initiated by introducing multi-walled carbon nano-tubes (MWCNTs) into the SiC matrix. The MWCNTs by exhibiting a high toughness could also help to enhance the mechanical properties. Green bodies with different amounts of well dispersed MWCNTs (0 %wt to 5 %wt) were realized. Like free carbon, MWCNTs are located between

  4. Influence of Test Procedures on the Thermomechanical Properties of a 55NiTi Shape Memory Alloy

    Science.gov (United States)

    Padula, Santo A., II; Gaydosh, Darrell J.; Noebe, Ronald D.; Bigelow, Glen S.; Garg, Anita; Lagoudas, Dimitris; Karaman, Ibrahim; Atli, Kadri C.

    2008-01-01

    Over the past few decades, binary NiTi shape memory alloys have received attention due to their unique mechanical characteristics, leading to their potential use in low-temperature, solid-state actuator applications. However, prior to using these materials for such applications, the physical response of these systems to mechanical and thermal stimuli must be thoroughly understood and modeled to aid designers in developing SMA-enabled systems. Even though shape memory alloys have been around for almost five decades, very little effort has been made to standardize testing procedures. Although some standards for measuring the transformation temperatures of SMA s are available, no real standards exist for determining the various mechanical and thermomechanical properties that govern the usefulness of these unique materials. Consequently, this study involved testing a 55NiTi alloy using a variety of different test methodologies. All samples tested were taken from the same heat and batch to remove the influence of sample pedigree on the observed results. When the material was tested under constant-stress, thermal-cycle conditions, variations in the characteristic material responses were observed, depending on test methodology. The transformation strain and irreversible strain were impacted more than the transformation temperatures, which only showed an affect with regard to applied external stress. In some cases, test methodology altered the transformation strain by 0.005-0.01mm/mm, which translates into a difference in work output capability of approximately 2 J/cu cm (290 in!lbf/cu in). These results indicate the need for the development of testing standards so that meaningful data can be generated and successfully incorporated into viable models and hardware. The use of consistent testing procedures is also important when comparing results from one research organization to another. To this end, differences in the observed responses will be presented, contrasted and

  5. Assessment of empirical potential for MOX nuclear fuels and thermomechanical properties

    Science.gov (United States)

    Balboa, Hector; Van Brutzel, Laurent; Chartier, Alain; Le Bouar, Yann

    2017-11-01

    We assess five empirical interatomic potentials in the approximation of rigid ions and pair interactions for the (U1-y,Puy)O solid solution. The assessment compares available experimental data and Fink's recommendation with simulations on: the structural, thermodynamics, and mechanical properties over the full range of plutonium composition, from pure UO2 to pure PuO2 and for temperatures ranging from 300 K to the melting point. The best results are obtained by potentials referred as Cooper and Potashnikov potentials. The first one reproduces more accurately recommendations for the thermodynamics and mechanical properties exhibiting ductile-like behaviour during crack propagation, while the second one gives brittle behaviour at low temperature.

  6. Primary properties of MDF using thermomechanical pulp made from oxalic acid pretreated rice straw particles

    Science.gov (United States)

    Xianjun Li; Yiqiang Wu; Zhiyong Cai; Jerrold E. Winandy

    2013-01-01

    The main objective of this study is to evaluate the effect the oxalic acid (OA) and steam pretreatment on the primary properties of rice straw medium-density fiberboard (MDF). The results show the IB strength increased about 9.6% and 13.4% for steam-treated MDF (PC) and OA-treated MDF compared with raw control panels, while OA pretreatment has a slight negative effect...

  7. Thermo-mechanical properties of mullite/zirconia reinforced alumina ceramic composites

    International Nuclear Information System (INIS)

    Wahsh, M.M.S.; Khattab, R.M.; Awaad, M.

    2012-01-01

    Highlights: ► Alumina–mullite–zirconia ceramic composites were prepared from alumina and zircon. ► Constant amount of magnesia was added as a sintering aid. ► Mechanical properties were enhanced with increasing of zircon up to 30.52 mass%. ► All of ceramic composites were achieved excellent thermal shock resistance. -- Abstract: Alumina–mullite–zirconia ceramic composites were prepared by reaction bonding of alumina and zircon mixtures after firing at different temperatures 1300°, 1400° and 1500 °C. Constant amount of magnesia was added as a sintering aid. The technological parameters of the sintered ceramic composites, i.e. the mechanical properties and densification parameter as well as thermal shock resistance, have been investigated. The phase compositions and microstructure of the sintered ceramic composites were detected by using X-ray diffraction (XRD) and scanning electron microscopy (SEM). Results indicated that alumina–mullite–zirconia ceramic composites fired at 1500 °C for 2 h were achieved a good densification parameters and mechanical properties as well as excellent thermal shock resistance. In addition, these ceramic composites were showed enhancement in Vickers’ microhardness and fracture toughness values.

  8. Structure, stability, and thermomechanical properties of Ca-substituted Pr2NiO4 + δ

    Science.gov (United States)

    Pikalova, E. Yu.; Medvedev, D. A.; Khasanov, A. F.

    2017-04-01

    Ca-substituted layered nickelates with a general Pr2- x Ca x NiO4 + δ composition ( x = 0-0.7, Δ x = 0.1) were prepared in the present work and their structural and physic-chemical properties were investigated in order to select the most optimal materials, which can be used as cathodes for solid oxide fuel cells. With an increase in Ca content in Pr2- x Ca x NiO4 + δ the following tendencies were observed: (i) a decrease in the concentration of nonstoichiometric oxygen (δ), (ii) a decrease in the unit cell parameters and volume, (iii) stabilization of the tetragonal structure, (iv) a decrease of the thermal expansion coefficients, and (v) enchancement of thermodynamic stability and compatibility with selected oxygen- and proton-conducting electrolytes. The Pr1.9Ca0.1NiO4 + δ material, having highest δ value, departs from the general "properties-composition" dependences ascertained. This indicates that oxygen non-stoichiometry has determining influence on the functional properties of layered nickelates.

  9. Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

    International Nuclear Information System (INIS)

    Rafii-Tabar, H.

    2004-01-01

    Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

  10. Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Rafii-Tabar, H

    2004-02-01

    Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

  11. Lithosphere tectonics and thermo-mechanical properties: An integrated modeling approach for enhanced geothermal systems exploration in Europe

    NARCIS (Netherlands)

    Wees, J.D. van; Cloetingh, S.; Ziegler, P.A.; Lenkey, L.; Beekman, F.; Tesauro, M.; Förster, A.; Norden, B.; Kaban, M.; Hardebol, N.; Voorde, M.T.; Willingshofer, E.; Cornu, T.; Bonté, D.

    2009-01-01

    For geothermal exploration and the development of enhanced geothermal systems (EGS) knowlegde of temperature at drillable depth is a prerequisite for site selection. Equally important is the thermo-mechanical signature of the lithosphere and crust which allow to obtain critical constraints for the

  12. Controversial effects of fumed silica on the curing and thermomechanical properties of epoxy composites

    Directory of Open Access Journals (Sweden)

    2010-06-01

    Full Text Available The effect of fumed silica on the curing of a trimethylolpropane epoxy resin was investigated by thermal analysis methods like Differential Scanning Calorimetry (DSC, and Dynamic Mechanical Analysis (DMA. The fumed silica used here is a by-product of the silicon and ferrosilicon industry, consisting of micro and nanosized particles. Both the curing reaction and the properties of the obtained composites were affected by the filler content. Different trends were observed for filler contents above and below the 30 wt%. Up to 30 wt%, the behaviour can be explained as a predominantly agglomeration effect. For 30 wt% and higher filler contents, single particles seem to play a more important role.

  13. Novel elastomer dye-functionalised POSS nanocomposites: Enhanced colourimetric, thermomechanical and thermal properties

    Directory of Open Access Journals (Sweden)

    R. A. Shanks

    2012-05-01

    Full Text Available Nanocomposites consisting of poly(styrene-b-butadiene-b-styrene (SBS and polyhedral oligomeric silsesquioxanes (POSS were prepared using a solvent dispersion method. POSS molecules were functionalised with two dichlorotriazine reactive dyes (CI Reactive Blue 4, CI Reactive Red 2 prior to compounding. Infrared spectroscopy confirmed functionalisation.Scanning electron microscopy revealed an increase in filler aggregation with concentration, with preferential phase selectivity. Ultraviolet spectroscopy and colourimetry confirmed colour uniformity and suggested that colour intensity could be controlled. Functionalised POSS improved thermal stability by imparting restrictions on SBS chain motions. Tensile stress-strain analysis revealed an increase in modulus with filler concentration, while creep deformation decreased and permanent strain increased with POSS content. Storage modulus, loss modulus and glass transition temperature increased with filler content due to effective SBS-POSS interaction. Nanocomposite properties were influenced by the phase the filler was dispersed throughout and the structure of the dye chromophore.

  14. Effects of chemical contamination on HDPE - thermo-mechanical and characterisation properties

    International Nuclear Information System (INIS)

    Ashraf, G.

    2002-01-01

    Studying the effects of chemical contamination on HDPE is an important precursor in recycling of plastic packaging and polymer reprocessing. This research involves and discusses the results of an in-depth investigation into the effects of chemically contaminating, using various acids, commercial grade high density polyethylene (HDPE) used commonly in packaging applications. An extensive formulation study was conducted and it became obvious that in some cases degradation had occurred to HDPE when chemically contaminated with particular functional group types. The functional groups in contaminated HDPE were successfully identified. A variety of analytical techniques such as Fourier transform Infra-red spectroscopy, X-ray Florescence, x-ray photo electron spectroscopy could identify compounds such as HCl acid, HNO/sub 3/ acid and other related contaminants. Some chemical additives had effects on the mechanical and thermal properties when added in the most appropriate concentration. The results have shown lower tensile modulus and strength tensile elongation, lower modular weight, melt flow index and crystallinity. The amount of contaminant concentration, the type of chemical functional groups used and the type of test selected to affect degradation are important factors in proving the effects of chemical contamination on HDPE in the melt state. (author)

  15. Thermo-mechanical and hydrophilic properties of polysaccharide/gluten-based bioplastics.

    Science.gov (United States)

    Zárate-Ramírez, L S; Romero, A; Bengoechea, C; Partal, P; Guerrero, A

    2014-11-04

    The influence of adding different polysaccharides (locust bean gum, LBG; methyl cellulose, MC; and carboxymethyl cellulose, CMC) to gluten-based biodegradable polymeric materials was assessed in this work. Gluten/polysaccharide/plasticiser bioplastics were prepared at different polysaccharide concentrations (0-4.5%) and pH values by mixing in a two-blade counter-rotating batch mixer (at 25 °C under adiabatic conditions) and thermomoulding at 9MPa and 130 °C. Bioplastic probes were evaluated through dynamic mechanical thermal analysis, tensile strength and water absorption capacity tests. Results pointed out that a moderate enhancement of the network structure may be achieved by adding polysaccharide at a pH close to the protein isoelectric point (pH 6), which also conferred a further thermosetting capacity to the system. Moreover, the addition of MC and CMC was found to significantly enhance material elongation properties. However, the presence of charges induced by pH leaded to a higher incompatibility between the polysaccharide and protein domains forming the composite. The pH value played a relevant role in the material water absorption, which significantly increased under acidic or basic conditions (particularly at pH 3). Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. 2nd IAEA research coordination meeting on collection and evaluation of reference data for thermo-mechanical properties of fusion reactor plasma facing materials. Summary report

    International Nuclear Information System (INIS)

    Langley, R.A.

    1996-08-01

    The proceedings and results of the 2nd IAEA Research Coordination Meeting on ''Collection and Evaluation of Reference Data for Thermo-mechanical Properties of Fusion Reactor Plasma Facing Materials'' held on March 25, 26 and 27, 1996 at the IAEA Headquarters in Vienna are briefly described. This report includes a summary of presentations made by the meeting participants, the results of discussions amongst the participants regarding the status of data, publication of a multi-author review paper and recommendations regarding future work. (author). 1 tab

  17. Effects on the Thermo-Mechanical and Crystallinity Properties of Nylon 6,6 Electrospun Fibres Reinforced with One Dimensional (1D and Two Dimensional (2D Carbon

    Directory of Open Access Journals (Sweden)

    Francisco Medellín-Rodríguez

    2013-08-01

    Full Text Available Electrospun one dimensional (1D and two dimensional (2D carbon based polymer nanocomposites are studied in order to determine the effect provided by the two differently structured nanofillers on crystallinity and thermo-mechanical properties of the nanofibres. The nanomaterials studied are pristine carbon nanotubes, oxidised carbon nanotubes, reduced graphene oxide and graphene oxide. Functional groups associated with the order structure of the polymers are analysed by infrared and Raman spectroscopies; the morphology is studied by scanning electron microscopy and the crystallinity properties are investigated by differential scanning calorimetry and X-ray diffraction. Differences in crystallisation behaviour between 1D and 2D carbon based nanofibres are shown by their crystallinity degree and their crystal sizes. The nanocomposite crystal sizes perpendicular to the plane (100 decrease with nanofiller content in all cases. The crystallinity trend and crystal sizes are in accordance with storage modulus response. The results also suggest that functionalisation favours interfacial bonding and dispersion of the nanomaterials within the polymer matrix. As a consequence the number of nucleating sites increases which in turn decreases the crystal size in the nanocomposites. These features explain the improved thermo-mechanical properties in the nanocomposites.

  18. Effect of Thermomechanical Processing on Microstructure, Texture Evolution, and Mechanical Properties of Al-Mg-Si-Cu Alloys with Different Zn Contents

    Science.gov (United States)

    Wang, X. F.; Guo, M. X.; Chen, Y.; Zhu, J.; Zhang, J. S.; Zhuang, L. Z.

    2017-07-01

    The effect of thermomechanical processing on microstructure, texture evolution, and mechanical properties of Al-Mg-Si-Cu alloys with different Zn contents was studied by mechanical properties, microstructure, and texture characterization in the present study. The results show that thermomechanical processing has a significant influence on the evolution of microstructure and texture and on the final mechanical properties, independently of Zn contents. Compared with the T4P-treated (first preaged at 353 K (80 °C) for 12 hours and then naturally aged for 14 days) sheets with high final cold rolling reduction, the T4P-treated sheets with low final cold rolling reduction possess almost identical strength and elongation and higher average r values. Compared with the intermediate annealed sheets with high final cold rolling reduction, the intermediate annealed sheets with low final cold rolling reduction contain a higher number of particles with a smaller size. After solution treatment, in contrast to the sheets with high final cold rolling reduction, the sheets with low final cold rolling reduction possess finer grain structure and tend to form a weaker recrystallization texture. The recrystallization texture may be affected by particle distribution, grain size, and final cold rolling texture. Finally, the visco-plastic self-consistent (VPSC) model was used to predict r values.

  19. Thermal expansion coefficient and thermomechanical properties of SiN(x) thin films prepared by plasma-enhanced chemical vapor deposition.

    Science.gov (United States)

    Tien, Chuen-Lin; Lin, Tsai-Wei

    2012-10-20

    We present a new method based on fast Fourier transform (FFT) for evaluating the thermal expansion coefficient and thermomechanical properties of thin films. The silicon nitride thin films deposited on Corning glass and Si wafers were prepared by plasma-enhanced chemical vapor deposition in this study. The anisotropic residual stress and thermomechanical properties of silicon nitride thin films were studied. Residual stresses in thin films were measured by a modified Michelson interferometer associated with the FFT method under different heating temperatures. We found that the average residual-stress value increases when the temperature increases from room temperature to 100°C. Increased substrate temperature causes the residual stress in SiN(x) film deposited on Si wafers to be more compressive, but the residual stress in SiN(x) film on Corning glass becomes more tensile. The residual-stress versus substrate-temperature relation is a linear correlation after heating. A double substrate technique is used to determine the thermal expansion coefficients of the thin films. The experimental results show that the thermal expansion coefficient of the silicon nitride thin films is 3.27×10(-6)°C(-1). The biaxial modulus is 1125 GPa for SiN(x) film.

  20. Correlation between some thermo-mechanical and physico-chemical properties in multi-component glasses of Se-Te-Sn-Cd system

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Amit; Mehta, Neeraj [Banaras Hindu University, Department of Physics, Institute of Science, Varanasi (India)

    2017-06-15

    The glass transition phenomenon is guided by the swift cooling of a melt (glass-forming liquid). Consequently, the glass as a final product consists of a considerable number of micro-voids having the size of the order of atomic and/or molecular sizes. The model of free volume fluctuation helps in describing the diverse physico-chemical properties of amorphous materials (like glasses and polymers). This theory is based on the fraction of fluctuation free frozen at the glass transition temperature and it forms a basis for determination of various significant thermo-mechanical properties. In the present work, Vickers hardness test method is employed that provides useful information concerning the mechanical behavior of brittle solids. The present work emphasizes the results of micro-indentation measurements on recently synthesized novel Se{sub 78-x}Te{sub 20}Sn{sub 2}Cd{sub x} glassy system. Basic thermo-mechanical parameters such as micro-hardness, volume (V{sub h}), formation energy (E{sub h}) of micro-voids in the glassy network and modulus of elasticity (E) have been determined and their variation with glass composition has been investigated. (orig.)

  1. Correlation between some thermo-mechanical and physico-chemical properties in multi-component glasses of Se-Te-Sn-Cd system

    Science.gov (United States)

    Kumar, Amit; Mehta, Neeraj

    2017-06-01

    The glass transition phenomenon is guided by the swift cooling of a melt (glass-forming liquid). Consequently, the glass as a final product consists of a considerable number of micro-voids having the size of the order of atomic and/or molecular sizes. The model of free volume fluctuation helps in describing the diverse physico-chemical properties of amorphous materials (like glasses and polymers). This theory is based on the fraction of fluctuation free frozen at the glass transition temperature and it forms a basis for determination of various significant thermo-mechanical properties. In the present work, Vickers hardness test method is employed that provides useful information concerning the mechanical behavior of brittle solids. The present work emphasizes the results of micro-indentation measurements on recently synthesized novel Se78- x Te20Sn2Cd x glassy system. Basic thermo-mechanical parameters such as micro-hardness, volume ( V h), formation energy ( E h) of micro-voids in the glassy network and modulus of elasticity ( E) have been determined and their variation with glass composition has been investigated.

  2. Correlation between some thermo-mechanical and physico-chemical properties in multi-component glasses of Se-Te-Sn-Cd system

    International Nuclear Information System (INIS)

    Kumar, Amit; Mehta, Neeraj

    2017-01-01

    The glass transition phenomenon is guided by the swift cooling of a melt (glass-forming liquid). Consequently, the glass as a final product consists of a considerable number of micro-voids having the size of the order of atomic and/or molecular sizes. The model of free volume fluctuation helps in describing the diverse physico-chemical properties of amorphous materials (like glasses and polymers). This theory is based on the fraction of fluctuation free frozen at the glass transition temperature and it forms a basis for determination of various significant thermo-mechanical properties. In the present work, Vickers hardness test method is employed that provides useful information concerning the mechanical behavior of brittle solids. The present work emphasizes the results of micro-indentation measurements on recently synthesized novel Se_7_8_-_xTe_2_0Sn_2Cd_x glassy system. Basic thermo-mechanical parameters such as micro-hardness, volume (V_h), formation energy (E_h) of micro-voids in the glassy network and modulus of elasticity (E) have been determined and their variation with glass composition has been investigated. (orig.)

  3. Hybrid poly(lactic acid)/nanocellulose/nanoclay composites with synergistically enhanced barrier properties and improved thermomechanical resistance

    DEFF Research Database (Denmark)

    Trifol Guzman, Jon; Plackett, David; Sillard, Cecile

    2016-01-01

    Poly(lactic acid) (PLA)‐based hybrid nanocomposites (PLA, nanoclay and nanocellulose) were prepared by reinforcing neat PLA with commercially available nanoclay (Cloisite C30B) and nanocellulose, in the form of either partially acetylated cellulose nanofibres (CNFs) or nanocrystalline cellulose......) through a reduction of up to 90% in OTR and a further reduction in the water vapour transmission rate of up to 76%. In addition, the nanocomposite films showed improved thermomechanical resistance and improved crystallisation kinetics while maintaining high film transparency. This makes the hybrid PLA...

  4. Influence of thermo-mechanical treatment on the tensile properties of a modified 14Cr–15Ni stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Vijayanand, V.D., E-mail: vdvijayanand@igcar.gov.in; Laha, K.; Parameswaran, P.; Nandagopal, M.; Panneer Selvi, S.; Mathew, M.D.

    2014-10-15

    The titanium modified 14Cr–15Ni austenitic stainless steel is used as clad and wrapper material for fast breeder nuclear reactor. Thermo-mechanical treatments consisting of solution annealing at two different temperatures of 1273 and 1373 K followed by cold-work and thermal ageing have been imparted to the steel to tailor its microstructure for enhancing strength. Tensile tests have been carried out on the thermo-mechanically treated steel at nominal strain rate of 1.6 × 10{sup −4} s{sup −1} over a temperature range of 298–1073 K. The yield stress and the ultimate tensile strength of the steel increased with increase in solution treatment temperature and this has been attributed to the fine and higher density of Ti(C,N) precipitate. Tensile flow behaviour of the steel has been analysed using Ludwigson and Voce constitutive equations. The steel heat treated at higher solution temperature exhibited earlier onset of cross slip during tensile deformation. The rate of recovery at higher test temperatures was also influenced by variations in solution heat treatment temperature. In addition, dynamic recrystallization during tensile deformation at higher temperatures was profound for steel solution heat-treated at lower temperature. The differences in flow behaviour and softening mechanisms during tensile testing of the steel after different heat treated conditions have been attributed to the nature of Ti(C,N) precipitation.

  5. Influence of thermo-mechanical treatment on the tensile properties of a modified 14Cr–15Ni stainless steel

    International Nuclear Information System (INIS)

    Vijayanand, V.D.; Laha, K.; Parameswaran, P.; Nandagopal, M.; Panneer Selvi, S.; Mathew, M.D.

    2014-01-01

    The titanium modified 14Cr–15Ni austenitic stainless steel is used as clad and wrapper material for fast breeder nuclear reactor. Thermo-mechanical treatments consisting of solution annealing at two different temperatures of 1273 and 1373 K followed by cold-work and thermal ageing have been imparted to the steel to tailor its microstructure for enhancing strength. Tensile tests have been carried out on the thermo-mechanically treated steel at nominal strain rate of 1.6 × 10 −4 s −1 over a temperature range of 298–1073 K. The yield stress and the ultimate tensile strength of the steel increased with increase in solution treatment temperature and this has been attributed to the fine and higher density of Ti(C,N) precipitate. Tensile flow behaviour of the steel has been analysed using Ludwigson and Voce constitutive equations. The steel heat treated at higher solution temperature exhibited earlier onset of cross slip during tensile deformation. The rate of recovery at higher test temperatures was also influenced by variations in solution heat treatment temperature. In addition, dynamic recrystallization during tensile deformation at higher temperatures was profound for steel solution heat-treated at lower temperature. The differences in flow behaviour and softening mechanisms during tensile testing of the steel after different heat treated conditions have been attributed to the nature of Ti(C,N) precipitation

  6. Thermomechanical and Environmental Durability of Environmental Barrier Coated Ceramic Matrix Composites Under Thermal Gradients

    Science.gov (United States)

    Zhu, Dongming; Bhatt, Ramakrishna T.; Harder, Bryan

    2016-01-01

    This paper presents the developments of thermo-mechanical testing approaches and durability performance of environmental barrier coatings (EBCs) and EBC coated SiCSiC ceramic matrix composites (CMCs). Critical testing aspects of the CMCs will be described, including state of the art instrumentations such as temperature, thermal gradient, and full field strain measurements; materials thermal conductivity evolutions and thermal stress resistance; NDE methods; thermo-mechanical stress and environment interactions associated damage accumulations. Examples are also given for testing ceramic matrix composite sub-elements and small airfoils to help better understand the critical and complex CMC and EBC properties in engine relevant testing environments.

  7. Vibrational properties of complex solids

    International Nuclear Information System (INIS)

    Fagas, G.

    1999-11-01

    Following a brief outline of the statistical analysis of spectra with respect to random matrix theory predictions and of numerical methods for calculating the elastic scattering matrix, statistical studies of vibrational spectra in disordered and complex solids, as well as studies of phonon transport across imperfect structures, are presented. The analysis of spectral statistics of lattice modes in a disordered crystal, confirmed GOE Wigner-Dyson statistical correlations of the eigenmode frequencies of a block of a disordered solid. Spectral correlations in the optic phonon spectrum of a solid with a polyatomic unit cell are also analysed using the Wigner-Dyson statistical approach. Despite the fact that all force constants are real, it is demonstrated that the statistics are predominantly of the GUE type depending on the location within the Brillouin zone of a crystal and the unit cell symmetry. Analytic and numerical results for the crossover from GOE to GUE statistics are presented. A method originally developed to probe electron transport on a mesoscopic scale is used to study generic properties of elastic phonon transport at a disordered interface. The results show that phonon transmittance is a strong function of frequency and the disorder correlation length. At low frequencies the transmittance at a given frequency increases as the correlation length decreases. This is also reflected by different power-laws for phonon conductance across correlated and uncorrelated disordered interfaces which are in approximate agreement with perturbation theory of an elastic continuum. Finally we present an analysis of acoustic-phonon propagation across long, free-standing, insulating wires with rough surfaces. We find that owing to a crossover from ballistic propagation of the lowest-frequency phonon mode at ω 1 πc/W to a diffusive (or even localized) behavior upon the increase of phonon frequency, followed by reentrance into the quasiballistic regime, the heat

  8. Structure and Properties of Ti-19.7Nb-5.8Ta Shape Memory Alloy Subjected to Thermomechanical Processing Including Aging

    Science.gov (United States)

    Dubinskiy, S.; Brailovski, Vladimir; Prokoshkin, S.; Pushin, V.; Inaekyan, K.; Sheremetyev, V.; Petrzhik, M.; Filonov, M.

    2013-09-01

    In this work, the ternary Ti-19.7Nb-5.8Ta (at.%) alloy for biomedical applications was studied. The ingot was manufactured by vacuum arc melting with a consumable electrode and then subjected to hot forging. Specimens were cut from the ingot and processed by cold rolling with e = 0.37 of logarithmic thickness reduction and post-deformation annealing (PDA) between 400 and 750 °C (1 h). Selected samples were subjected to aging at 300 °C (10 min to 3 h). The influence of the thermomechanical processing on the alloy's structure, phase composition, and mechanical and functional properties was studied. It was shown that thermomechanical processing leads to the formation of a nanosubgrained structure (polygonized with subgrains below 100 nm) in the 500-600 °C PDA range, which transforms to a recrystallized structure of β-phase when PDA temperature increases. Simultaneously, the phase composition and the β → α″ transformation kinetics vary. It was found that after conventional cold rolling and PDA, Ti-Nb-Ta alloy manifests superelastic and shape memory behaviors. During aging at 300 °C (1 h), an important quantity of randomly scattered equiaxed ω-precipitates forms, which results in improved superelastic cyclic properties. On the other hand, aging at 300 °C (3 h) changes the ω-precipitates' particle morphology from equiaxed to elongated and leads to their coarsening, which negatively affects the superelastic and shape memory functional properties of Ti-Nb-Ta alloy.

  9. Thermo-mechanic and sensory properties of wheat and rye breads produced with varying concentration of the additive

    Directory of Open Access Journals (Sweden)

    Demin Mirjana A.

    2013-01-01

    Full Text Available The effects of different concentrations of the complex additive containing emulsifiers, oxido-reductive substances and enzymes, on the rheological conditions of dough, and on the sensory properties of three groups of bread were investigated. The best initial quality and the lowest degree of protein network weakening had the dough obtained from mixed wheat and rye flours. The best expected baking properties were shown by the white wheat flour due to the least damage of its starch. The use of the additive has an effect on the absorption of water and on the majority of C-values of all sorts of flour. The amount of additive had a significant effect on the sensory properties of wheat bread crumb texture. Also, storage duration significantly affected (p <0.01 the sensory properties of integral wheat bread aroma-taste and the weighted mean score. The interaction of these two factors had no significant effect on any of sensory properties of the investigated groups of bread.

  10. Thermo-mechanical behavior of bituminous mixtures at low temperatures. Links between the binder characteristics and the mix properties; Comportement thermomecanique des enrobes bitumeux a basses temperatures: relations entre les proprietes du liant et de l'enrobe

    Energy Technology Data Exchange (ETDEWEB)

    Olard, F.

    2003-10-01

    This thesis has been realized within the framework of a partnership between the Ecole Nationale des TPE, APPIA and EUROVIA. The company Total has also been associated to this project. The study deals with the thermo-mechanical behavior of bituminous materials at low temperatures. The aim is to establish the links between the characteristics of the binder and the properties of bituminous mixes at low temperatures, and to better understand the existing low-temperature parameters and criteria for binders (or to propose new ones), related to the in-situ behavior of bituminous mixtures. A large experimental campaign has been carried out so as to fulfill this goal. After a bibliographical study on the rheology and the thermo-mechanical properties of (pure or modified) binders, putties and mixes, the experimental campaign carried out both in the small strain domain and in the large strain domain, is presented. The low temperature behavior of binders has been evaluated with three common fundamental tests: i)the complex modulus determination, ii)the Bending Beam Rheometer and iii)the tensile strength at a constant strain rate and constant temperatures. A new three point bending test on pre-notched bitumen beams has also been developed at the ENTPE. The low-temperature fracture properties of bitumens were studied at constant temperatures and cross-head speeds considering the Linear Elastic Fracture Mechanics (LEFM) assumptions. The thermo-mechanical behavior of bituminous mixtures has been studied by performing i)complex modulus tests, ii)measurements of the coefficient of thermal dilatation and contraction, iii)tensile tests at constant temperatures and strain rates, and iv)Thermal Stress Restrained Specimen Tests. Apart from the determination of some pertinent links between binder and mix properties and discriminating characteristics with regard to the thermal cracking of bituminous mixes at low temperatures, the analysis has also consisted in modeling the behavior of

  11. Thermodynamic properties of actinide complexes

    International Nuclear Information System (INIS)

    Bismondo, A.; Cassol, A.; Di Bernardo, P.; Magon, L.; Tomat, G.; Consiglio Nazionale delle Ricerche, Padua

    1981-01-01

    In a previous paper the stability constants and the enthalpies of formation of uranyl(VI)-malonate complexes in 1 M Na(ClO 4 ) and at 25.0 0 C, have been reported. In order to assess the influence of the number of methylenic groups in the ligand chain on the stability constants of the formed complexes and on their ΔH and ΔS values, a series of potentiometric and calorimetric investigations were carried out on the uranyl(VI)-succinate system. The results are given and discussed. (author)

  12. Thermodynamic properties of actinide complexes

    International Nuclear Information System (INIS)

    Di Bernardo, P.; Tomat, G.; Bismondo, A.

    1980-01-01

    The present paper reports a continuation of investigations on the complexing ability of substituted polycarboxylate ligands toward the uranyl(VI) ion. The changes in free energy were computed from the stability constants determined by potentiometric measurements; the enthalpy changes were measured by direct calorimetric titrations. The acid formation constants and the complex formation constants were calculated with the aid of a CDC/CRYBER '76 computer using the programs LETAGROP VRID and MINIQUAD 75. The enthalpy changes for the proton ligand and metal ligand complex formation were calculated by the least-squares program LETAGROP KALLE. The data obtained for a relatively wide range of concentrations of the metal and hydrogen ions may be interpreted in terms of the formation of simple mononuclear, ML, and acid complexes, Msub(p)Hsub(q)Lsub(r), where p = 1; q = 1, 2; r = 1, 2. The values of free energy enthalpy, and entropy changes for the systems investigated are reported together with the logarithms of the corresponding stability constants. (author)

  13. A preliminary assessment of the relationship between the mineralogy and diagenetic history of four argillaceous rocks and their thermomechanical properties

    International Nuclear Information System (INIS)

    Kopp, O.C.; Mulligan, P.J.; Reeves, D.K.

    1988-11-01

    A primary purpose of this study was to develop reproducible, quantitative methods to determine the bulk mineral composition and diagenetic history of argillaceous rocks and to attempt, in a preliminary way, to explain the thermomechanical behavior of several formations that were being measured by others. This report presents the results of several methods of analysis [specific-gravity determinations, water contents, chemical analyses by x-ray fluorescence (XRF) analysis, quantitative mineralogical analyses by x-ray diffraction (QXRD), preferred orientation analyses by x-ray diffraction, and scanning electron microscopy (SEM) of fractured samples] that were used to study selected samples from the Conasauga Group, the Rhinestreet Shale, the Pierre Shale, and the Green River Formation to determine their mineralogical character and the effects of diagenesis on these materials. The results were then related to thermochemical test data that were obtained on samples from the same cores. Specific-gravity determinations on ''as-received'' samples ranged from 2.00 for the Green River Formation to 2.75 for the Rhinestreet Shale. Exposure to the atmosphere resulted in a small net gain (+0.5) in specific gravity for the Conasauga Group samples and a net loss (-0.11) for the Pierre Shale samples. Water contents, determined by heating to 105/degree/C for 1 h, averaged 0.8% by weight for the Conasauga Shale, Rhinestreet Shale, and Green River Formation samples. The water content determined for the Pierre Shale samples was 12.1 wt %

  14. Mathematical Properties of Complex Networks

    Directory of Open Access Journals (Sweden)

    Angel Garrido

    2011-01-01

    Full Text Available Many researchers are attempting to create systems which
    mimic human thought, or understand speech, or beat to the best human chess-player [14]. Understanding intelligence and Creating intelligent artifacts both are the twin goals of Artificial Intelligence (AI.In more recent times, the interest is focused on problems related with Complex Networks [3, 5,6, 19], in particular on questions such as clustering search and identification. We attempt, in this paper, a panoramic vision of such mathematical methods in AI.

  15. From System Complexity to Emergent Properties

    CERN Document Server

    Aziz-Alaoui, M. A

    2009-01-01

    Emergence and complexity refer to the appearance of higher-level properties and behaviours of a system that obviously comes from the collective dynamics of that system's components. These properties are not directly deductable from the lower-level motion of that system. Emergent properties are properties of the "whole'' that are not possessed by any of the individual parts making up that whole. Such phenomena exist in various domains and can be described, using complexity concepts and thematic knowledges. This book highlights complexity modelling through dynamical or behavioral systems. The pluridisciplinary purposes, developped along the chapters, are enable to design links between a wide-range of fundamental and applicative Sciences. Developing such links - instead of focusing on specific and narrow researches - is characteristic of the Science of Complexity that we try to promote by this contribution.

  16. The Effect of Nano sized Carbon Black on the Physical and Thermomechanical Properties of Al2O3-SiC-SiO2-C Composite

    International Nuclear Information System (INIS)

    Amin, M.H.; Ebrahimabadi, M.A.; Rahimipour, M.R.

    2009-01-01

    The effects of using nano sized carbon black in the range of 010 weight percentages on the physical and thermomechanical properties of Al 2 O 3 -Si C-SiO 2 graphite refractory composites were investigated. Nano sized carbon black addition improved the relative heat resistance and oxidation resistance of composites. The bulk density of the composites is reduced with increasing carbon black (CB) content. Increase in CB content first causes an increase in the apparent porosity, but at more than 3 wt % amount of CB, a decrease of apparent porosity was observed. The cold crushing strength (CCS) increased with increasing CB content in samples fired at 800 degree C and in samples fired at 1500 degree C when the content is increased to 3 wt %, but the CCS decreased with increasing CB content in samples fired at 1500 degree C when the CB content was less than 3 wt %. The composite without CB exhibits the highest value of CCS at firing temperature of 1500 degree C.

  17. Commercial alkaline earth boroaluminosilicate glasses for sealing solid oxide cell stacks. Part I: Development of glass-ceramic microstructure and thermomechanical properties

    DEFF Research Database (Denmark)

    Agersted, Karsten; Balic-Zunic, Tonci

    2018-01-01

    Sealing performance in solid oxide cell (SOC) stacks and the devitrification process of commercially available alkaline earth boroaluminosilicate glasses containing 48‐61 mol% SiO2, 18‐28 mol% CaO, 1‐7 mol% MgO, 7‐10 mol% Al2O3, 1‐11 mol% B2O3 plus minor amounts of Na2O, K2O, FeO, and TiO2 were...... investigated and quantified through analysis of phase assemblages as function of heat treatments above the glass transition temperatures using the electron microprobe and powder X‐ray diffraction. For two of these glasses devitrification behavior was compared to the devitrification behavior of similar glasses...... produced in the laboratory. Glasses were characterized after annealing in air at 800°C and 850°C for up to 6 weeks. Even though the glasses lie within a relatively narrow compositional range, sealing performance and the resulting microstructures differed significantly. Best thermomechanical properties...

  18. TiNi shape memory alloys: effects of the fabrication route, the oxygen content and the zirconium or hafnium additions on the metallurgical characteristics and the thermomechanical properties

    International Nuclear Information System (INIS)

    Olier, P.

    1996-01-01

    In order to promote the development of Ti-Ni shape memory alloys, we have studied the correlation between the fabrication route, the chemical composition (O 2 content, Zr or Hf additions), the metallurgical characteristics and the thermomechanical properties. A conventional sintering does not allow to obtain a homogeneous compound of pure Ti 50 Ni 50 alloy because of the occurrence of Kirkendall porosities which act as a diffusion barrier. An original process including combustion synthesis and hot-extrusion was successfully developed. Resulting products exhibit a smaller grain size (15-20μm) and an enhanced workability in comparison with products obtained by arc-melting and subsequent hot rolling. The presence of oxygen in equiatomic Ti-Ni alloy induces the oxide precipitation of Ti 4 Ni 2 O x type (with x ≤ 1). The precipitated particle fraction is proportional to the oxygen nominal content of the alloy. We show that the decrease of the transformation temperatures is correlated with the decrease of Ti in solid solution due to Ti 4 Ni 2 O precipitation. Moreover, we find that a fine and homogenous oxide dispersion is suitable to decrease the grain size during hot rolling and to enhance to the one way shape memory properties. An increase of the typical transformation temperatures is obtained through of Zr or Hf (in substitution to Ti). But, an increase of the hardness is measured, and consequently the workability of the ternary alloys becomes reduced. However, it is worthwhile to point out that a Ti 38 Ni 50 Hf 12 product obtained by arc melting and hot extrusion is able to fully recover an apparent plastic strain of more than 4% during tensile tests performed under special loading conditions. Such as behaviour is of great interest with respect to potential applications in a temperature range higher that 100 deg. C. (author)

  19. A Molecular Dynamics Study of Crosslinked Phthalonitrile Polymers: The Effect of Crosslink Density on Thermomechanical and Dielectric Properties

    Directory of Open Access Journals (Sweden)

    Janel Chua

    2018-01-01

    Full Text Available In this work, molecular dynamics (MD and molecular mechanics (MM simulations are used to study well-equilibrated models of 4,4′-bis(3,4-dicyanophenoxybiphenyl (BPh–1,3-bis(3-aminophenoxybenzene (m-APB phthalonitrile (PN system with a range of crosslink densities. A cross-linking technique is introduced to build a series of systems with different crosslink densities; several key properties of this material, including thermal expansion, mechanical properties and dielectric properties are studied and compared with experimental results. It is found that the coefficient of linear thermal expansion predicted by the model is in good agreement with experimental results and indicative of the good thermal stability of the PN polymeric system. The simulation also shows that this polymer has excellent mechanical property, whose strength increases with increasing crosslink density. Lastly and most importantly, the calculated dielectric constant—which shows that this polymer is an excellent insulating material—indicates that there is an inverse relation between cross-linking density and dielectric constant. The trend gave rise to an empirical quadratic function which can be used to predict the limits of attainable dielectric constant for highly crosslinked polymer systems. The current computational work provides strong evidence that this polymer is a promising material for aerospace applications and offers guidance for experimental studies of the effect of cross-linking density on the thermal, mechanical and dielectric properties of the material.

  20. Improvement of Thermo-Mechanical Properties of Short Natural Fiber Reinforced Recycled Polypropylene Composites through Double Step Grafting Process

    Science.gov (United States)

    Saputra, O. A.; Rini, K. S.; Susanti, T. D.; Mustofa, R. E.; Prameswari, M. D.; Pramono, E.

    2017-07-01

    This study focused on the effect of a compatibilizer addition, maleic anhydrides (MAH) on mechanical, thermal and water absorption properties of oil palm empty fruit bunches (EFB) fiber reinforced recycled polypropylene (rPP) biocomposites. The double steps grafting process were conducted by incorporated MAH on both rPP and EFB to improve the surface adhesion between these materials, to result in a good mechanical properties as well as biocompatibility to nature. The chemical test was carried out using FTIR (Fourier Transform Infra-Red) spectroscopy technique to evaluated grafting process. The mechanical test was investigated and found that the addition of 10 phr MAH to both rPP and EFB improved mechanical strength of the biocomposites higher than another formulas. In this study, thermal properties of biocomposites also characterized. Water absorption (WA) analysis showed the presence of EFB fiber increased the water uptake of the material.

  1. Characterization, Long-Term Behavior Evaluation and Thermomechanical Properties of Untreated and Treated Flax Fiber-Reinforced Composites

    Science.gov (United States)

    Amiri, Ali

    In recent years there has been a resurgence of interest in the usage of natural fiber reinforced composites in more advanced structural applications. Consequently, the need for improving their mechanical properties as well as service life and long-term behavior modeling and predictions has arisen. In a step towards further development of these materials, in this study, two newly developed biobased resins, derived from soybean oil, methacrylated epoxidized sucrose soyate and double methacrylated epoxidized sucrose soyate are combined with untreated and alkaline treated flax fiber to produce novel biocomposites. Vinyl ester reinforced with flax fiber is used as control in addition to comparing properties of biobased composites against commercial pultruded composites. Effects of alkaline treatment of flax fiber as well as addition of 1% acrylic resin to vinyl ester and the two mentioned biobased resins on mechanical properties are studied. Properties are evaluated in short-term and also, after being exposed to accelerated weathering (i.e. UV and moisture). Moreover, long-term creep of these novel biobased composites and effect of fiber and matrix treatment on viscoelastic behavior is investigated using Time-temperature superposition (TTS) principle. Based on the results of this study, the TTS provides an accelerated method for evaluation of mechanical properties of biobased composites, and satisfactory master curves are achieved by use of this principle. Also, fiber and matrix treatments were effective in increasing mechanical properties of biobased composites in short-term, and treatments delayed the creep response and slowed the process of creep in composites under study in the steady state region. Overall, results of this study reveal the successful production of biocomposites having properties that meet or exceed those of conventional pultruded members while maintaining high biocontent. Composites using treated flax fiber and newly developed resins showed less

  2. PWR fuel thermomechanics

    International Nuclear Information System (INIS)

    Traccucci, R.; Leclercq, J.

    1986-01-01

    Fuel thermo-mechanics means the studies of mechanical and thermal effects, and more generally, the studies of the behavior of the fuel assembly under stresses including thermal and mechanical loads, hydraulic effects and phenomena induced by materials irradiation. This paper describes the studies dealing with the fuel assembly behavior, first in normal operating conditions, and then in accidental conditions. 43 refs [fr

  3. Rheological and thermo-mechanical properties of poly(lactic acid)/lignin-coated cellulose nanocrystal composites

    Science.gov (United States)

    Anju Gupta; William Simmons; Gregory T. Schueneman; Donald Hylton; Eric A. Mintz

    2017-01-01

    Improving the processability and physical properties of sustainable biobased polymers and biobased fillers is essential to preserve its biodegradability and make them suitable for different end user applications. Herein, we report the use of spray-dried lignin-coated cellulose nanocrystals (L-CNCs), a biobased filler, to modify the rheological and thermos-mechanical...

  4. Characterization of intermetallic compounds in Cu-Al ball bonds: thermo-mechanical properties, interface delamination and corrosion

    NARCIS (Netherlands)

    Gubbels, G.H.M.; Kouters, M.H.M.; Dos Santos Ferreira, O.

    2012-01-01

    In high power automotive electronics copper wire bonding is regarded as the most promising alternative for gold wire bonding in 1st level interconnects. In the Cu-Al ball bond interface the growth of intermetallic compounds can deteriorate the electrical and mechanical properties of the

  5. Effects of silicon and thermo-mechanical process on microstructure and properties of Cu–10Ni–3Al–0.8Si alloy

    International Nuclear Information System (INIS)

    Shen, Leinuo; Li, Zhou; Zhang, Zheming; Dong, Qiyi; Xiao, Zhu; Lei, Qian; Qiu, Wenting

    2014-01-01

    Highlights: • Cu–10Ni–3Al–0.8Si alloy with ultra-high strength was designed. • The addition of silicon hindered the precipitation of large NiAl phase. • Tensile strength and electrical conductivity were 1180 MPa and 18.1% IACS. • Nano-scale Ni 2 Si and Ni 3 Al improved the strength and electrical conductivity. - Abstract: Cu–10Ni–3Al–0.8Si alloy with ultra-high strength was designed and its microstructure was studied using optical microscopy, scanning electron microscopy, transmission electron microscopy. The alloy went through a set of thermo-mechanical process: solution treated at 950 °C for 4 h, then cold-rolled by 50% and aged at 450 °C for 8 h, followed by 60% cold-rolling and aging at 450 °C for 8 h. After these treatment, the tensile strength was 1180 MPa, yield strength was 1133 MPa and electrical conductivity was 18.1% IACS, respectively. The comprehensive properties, especially the electrical conductivity of the designed alloy, were much higher than those of traditional Cu–Ni–Al alloys. The addition of silicon in the designed alloy hindered the precipitation of large-scale NiAl phase and improved the strength of the alloy. The orientation relationships between δ-Ni 2 Si, Ni 3 Al precipitates and copper matrix were: [001] Cu ‖[001] Ni 3 Al ‖[001] δ ,(110) Cu ‖(110) Ni 3 Al ‖(010) δ ,(11 ¯ 0) Cu ‖ (11 ¯ 0) Ni 3 Al ||(100) δ , respectively

  6. Effect of thermomechanical treatments on the microstructure and mechanical properties of 9%Cr martensitic steel (Grade 91)

    International Nuclear Information System (INIS)

    Piozin, Emma

    2014-01-01

    9%Cr tempered martensitic steels are currently used in fossil power and in petrochemical plants. Due to attractive properties and manufacturing costs, there are also potential candidates for structural components of new generation nuclear reactors. To optimize their high temperatures mechanical properties (∼500-650 C), a thermal-mechanical treatment based on 'ausforming' is being considered. It is composed of an austenitization step, followed by warm-rolling of metastable austenite at intermediate temperatures (500-600 C), then quenching and tempering. This study aims at understanding the effects of each of these steps, and particularly the warm-rolling of the metastable austenite, on the resulting microstructure and mechanical properties. After applying a variety of thermal-mechanical treatment conditions, with or without warm rolling, the microstructures were systematically characterized at various scales by SEM, TEM, SANS, and neutron diffraction. Martensite laths are finer and dislocations density is higher in warm-rolled samples compared to thermally treated samples. In some cases, warm-rolled + tempered microstructures were partially recrystallized, showing that tempered martensite keeps a 'memory' of previous rolling of metastable austenite. Contrary to what was expected, warm-rolling did not affect precipitation, which is principally governed by austenitizing and tempering temperatures. Warm-rolling lead to a remarkable increase in tensile and creep strength but strongly impairs ductility and significantly increases the ductile-to-brittle transition temperature. Some of the warm-rolled materials are sensitive to intergranular failure at both low (Charpy impact tests) and high temperature (creep tests). Moreover, warm-rolling of metastable austenite does not improve, and even increases cyclic softening. All microstructural features have been quantitatively linked to mechanical properties at 20 C, by applying a structural hardening model

  7. Thermo-Mechanical Properties of Unsaturated Polyester Reinforced with SiliconCarbide Powder And with Chopped Glass Fiber

    Directory of Open Access Journals (Sweden)

    Bushra Hosnie Musa

    2018-02-01

    Full Text Available The work studied the effectoffine silicon carbide (SiC powder with (0,3,5,7wt % on the thermal conductivity and mechanical properties of unsaturated polyester composite in the presence of a fixed amount of chopped glass fiber. The hand lay-up technique was employed to preparethe required samples. Results showed that tensile, impact strength and thermal conductivity increased with increasing the weight fraction of reinforced materials.

  8. Shape distortion and thermo-mechanical properties of dense SOFC components from green tape to sintered body

    DEFF Research Database (Denmark)

    Teocoli, Francesca; Esposito, Vincenzo; Ni, De Wei

    stresses, which develop a camber in the final sintered body. To analyze the phenomena, shrinkage of SOFC components single layers and camber development of bi-layers were measured in-situ by optical dilatometry. In addition, a thoughtful investigation of the viscoelastic properties of individual layers......Sintering of ceramic materials is a critical process, especially when the components are shaped as multilayer. Microstructural changes and stresses take place in ceramics as single layer from the green stage to the densification stage, leading to shape distortion, delamination and cracks...

  9. Thermo-mechanical Characterisation of In-plane Properties for CSM E-glass Epoxy Polymer Composite Materials

    DEFF Research Database (Denmark)

    Jakobsen, Johnny; Jensen, Martin; Andreasen, Jens Henrik

    2013-01-01

    The in-plane Young’s modulus of a CSM E-glass/epoxy material is characterised through the use of dynamic mechanical analysis (DMA). The measured data is used to generate material models which describe the property behaviour as a function of conversion and temperature. Gelation of the epoxy resin...... plays a major role in the modulus development and is measured directly on the glass/epoxy material. The Young’s modulus is described through a bi-functional model including the liquid/solid transition of the material. The evolution of Young’s modulus is modelled by decoupling modulus increments caused...... by time and temperature, and is graphically illustrated through a Modulus-Temperature- Transformation (MTT) diagram. Based on the established material models presented in this paper and models in Part-1, it is feasible to assess residual stresses and shape distortions of composite parts made from...

  10. Thermomechanical process optimization of U-10 wt% Mo – Part 1: high-temperature compressive properties and microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, Vineet V., E-mail: vineet.joshi@pnnl.gov [Pacific Northwest National Laboratory, Richland, WA 99354 (United States); Nyberg, Eric A.; Lavender, Curt A.; Paxton, Dean [Pacific Northwest National Laboratory, Richland, WA 99354 (United States); Garmestani, Hamid [Georgia Institute of Technology, Atlanta, GA 30332 (United States); Burkes, Douglas E. [Pacific Northwest National Laboratory, Richland, WA 99354 (United States)

    2015-10-15

    Nuclear power research facilities require alternatives to existing highly enriched uranium alloy fuel. One option for a high density metal fuel is uranium alloyed with 10 wt% molybdenum (U–10Mo). Fuel fabrication process development requires specific mechanical property data that, to date has been unavailable. In this work, as-cast samples were compression tested at three strain rates over a temperature range of 400–800 °C to provide data for hot rolling and extrusion modeling. The results indicate that with increasing test temperature the U–10Mo flow stress decreases and becomes more sensitive to strain rate. In addition, above the eutectoid transformation temperature, the drop in material flow stress is prominent and shows a strain-softening behavior, especially at lower strain rates. Room temperature X-ray diffraction and scanning electron microscopy combined with energy dispersive spectroscopy analysis of the as-cast and compression tested samples were conducted. The analysis revealed that the as-cast samples and the samples tested below the eutectoid transformation temperature were predominantly γ phase with varying concentration of molybdenum, whereas the ones tested above the eutectoid transformation temperature underwent significant homogenization.

  11. Thermomechanical and Photophysical Properties of Crystal-Violet-Dye/H2O Based Dissolutions via the Pulsed Laser Photoacoustic Technique

    Directory of Open Access Journals (Sweden)

    Vicente Torres-Zúñiga

    2014-01-01

    Full Text Available Different thermoelastic parameters, for example, the acoustic attenuation and the speed of sound, are fundamental for instrumental calibration and quantitative characterization of organic-based dissolutions. In this work, these parameters as functions of the concentration of an organic dye (crystal-violet: CV in distillated water (H2O based dissolutions are investigated. The speed of sound was measured by the pulsed-laser photoacoustic technique (PLPA, which consists in the generation of acoustic-waves by the optical absorption of pulsed light in a given material (in this case a liquid sample. The thermally generated sound-waves traveling through a fluid are detected with two piezoelectric sensors separated by a known distance. An appropriate processing of the photoacoustic signals allows an adequate data analysis of the generated waves within the system, providing an accurate determination of the speed of sound as function of the dye-concentration. The acoustic attenuation was calculated based on the distance of the two PZT-microphones to an acoustic-source point and performing linear-fitting of the experimental data (RMS-amplitudes as function of the dye-concentration. An important advantage of the PLPA-method is that it can be implemented with poor or null optical transmitting materials permitting the characterization of the mechanical and concentration/aggregate properties of dissolved organic compounds.

  12. Thermomechanical behaviour of boom clay

    International Nuclear Information System (INIS)

    Sultan, N.; Delage, P.; Cui, Y.J.

    2000-01-01

    Special attention has been recently paid on temperature effects on the behaviour of deep saturated clays, in relation with nuclear deep waste storage. However, few experimental data are presently available, and existing constitutive models need to be completed. This note is aimed at completing, both experimentally and theoretically, the understanding of the effects of the over-consolidation ration on the thermal volume changes of Boom clay (Belgium). The experimental data obtained here are in a good agreement with existing data. As a complement to existing data, they are used to develop a new elastoplastic model. The adoption of a second coupled plastic mechanism provides good simulations on a complex thermo-mechanical path. (authors)

  13. Thermomechanics of composite structures under high temperatures

    CERN Document Server

    Dimitrienko, Yu I

    2016-01-01

    This pioneering book presents new models for the thermomechanical behavior of composite materials and structures taking into account internal physico-chemical transformations such as thermodecomposition, sublimation and melting at high temperatures (up to 3000 K). It is of great importance for the design of new thermostable materials and for the investigation of reliability and fire safety of composite structures. It also supports the investigation of interaction of composites with laser irradiation and the design of heat-shield systems. Structural methods are presented for calculating the effective mechanical and thermal properties of matrices, fibres and unidirectional, reinforced by dispersed particles and textile composites, in terms of properties of their constituent phases. Useful calculation methods are developed for characteristics such as the rate of thermomechanical erosion of composites under high-speed flow and the heat deformation of composites with account of chemical shrinkage. The author expan...

  14. Concurrent material-fabrication optimization of metal-matrix laminates under thermo-mechanical loading

    Science.gov (United States)

    Saravanos, D. A.; Morel, M. R.; Chamis, C. C.

    1991-01-01

    A methodology is developed to tailor fabrication and material parameters of metal-matrix laminates for maximum loading capacity under thermomechanical loads. The stresses during the thermomechanical response are minimized subject to failure constrains and bounds on the laminate properties. The thermomechanical response of the laminate is simulated using nonlinear composite mechanics. Evaluations of the method on a graphite/copper symmetric cross-ply laminate were performed. The cross-ply laminate required different optimum fabrication procedures than a unidirectional composite. Also, the consideration of the thermomechanical cycle had a significant effect on the predicted optimal process.

  15. Precipitation behavior during thin slab thermomechanical processing and isothermal aging of copper-bearing niobium-microalloyed high strength structural steels: The effect on mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Misra, R.D.K., E-mail: dmisra@louisiana.edu [Center for Structural and Functional Materials, University of Louisiana at Lafayette, P.O. Box 44130, Lafayette, LA 70503 (United States); Jia, Z. [Center for Structural and Functional Materials, University of Louisiana at Lafayette, P.O. Box 44130, Lafayette, LA 70503 (United States); O' Malley, R. [Nucor Steel Decatur, LLC Sheet Mill, 4301, Iverson Blvd., Trinity, AL 35673 (United States); Jansto, S.J. [CBMM-Reference Metals Company, 1000 Old Pond Road, Bridgeville, PA 15017 (United States)

    2011-11-15

    Highlights: {yields} Copper does not significantly influence toughness. {yields} Copper precipitation during aging occurs at dislocations. {yields} Precipitation of copper and carbides is mutually exclusive. - Abstract: We describe here the precipitation behavior of copper and fine-scale carbides during thermo-mechanical processing and isothermal aging of copper-bearing niobium-microalloyed high strength steels. During thermo-mechanical processing, precipitation of {epsilon}-copper occurs in polygonal ferrite and at the austenite-ferrite interface. In contrast, during isothermal aging, nucleation of {epsilon}-copper precipitation occurs at dislocations. In the three different chemistries investigated, the increase in strength associated with copper during aging results only in a small decrease in impact toughness, implying that copper precipitates do not seriously impair toughness, and can be considered as a viable strengthening element in microalloyed steels. Precipitation of fine-scale niobium carbides occurs extensively at dislocations and within ferrite matrix together with vanadium carbides. In the presence of titanium, titanium carbides act as a nucleus for niobium carbide formation. Irrespective of the nature of carbides, copper precipitates and carbides are mutually exclusive.

  16. Precipitation behavior during thin slab thermomechanical processing and isothermal aging of copper-bearing niobium-microalloyed high strength structural steels: The effect on mechanical properties

    International Nuclear Information System (INIS)

    Misra, R.D.K.; Jia, Z.; O'Malley, R.; Jansto, S.J.

    2011-01-01

    Highlights: → Copper does not significantly influence toughness. → Copper precipitation during aging occurs at dislocations. → Precipitation of copper and carbides is mutually exclusive. - Abstract: We describe here the precipitation behavior of copper and fine-scale carbides during thermo-mechanical processing and isothermal aging of copper-bearing niobium-microalloyed high strength steels. During thermo-mechanical processing, precipitation of ε-copper occurs in polygonal ferrite and at the austenite-ferrite interface. In contrast, during isothermal aging, nucleation of ε-copper precipitation occurs at dislocations. In the three different chemistries investigated, the increase in strength associated with copper during aging results only in a small decrease in impact toughness, implying that copper precipitates do not seriously impair toughness, and can be considered as a viable strengthening element in microalloyed steels. Precipitation of fine-scale niobium carbides occurs extensively at dislocations and within ferrite matrix together with vanadium carbides. In the presence of titanium, titanium carbides act as a nucleus for niobium carbide formation. Irrespective of the nature of carbides, copper precipitates and carbides are mutually exclusive.

  17. Thermomechanical study of complex structures in the aperture of superconducting magnets: Application to the design of the High-Luminosity LHC shielded beam screen

    CERN Document Server

    AUTHOR|(CDS)2086332; Aurisicchio, Marco

    In the framework of the High-Luminosity Large Hadron Collider (HL-LHC) project, a complex structure, known as the beam screen, will be installed by 2024 in the aperture of the inner triplet superconducting magnets nearby the ATLAS and CMS experiments. The beam screen is an octagonal shaped pipe that shields the 1.9 K magnet cryogenic system from the heat loads and damage to the magnet coils that would be otherwise induced by the highly penetrating collision debris. It also ensures that the vacuum conditions, required for the stability of the beam, are met. This thesis describes the design of the beam screen and proposes extensions to important components and features. The unknown physical properties of the beam screen materials have been characterised. The thermal behaviour of the beam screen during normal working conditions has been optimised by simulations and validated by measurements. The behaviour of the beam screen during a magnet quench, a resistive transition of the superconducting magnet, has been st...

  18. Thermomechanical controls on magma supply and volcanic deformation: application to Aira caldera, Japan

    Science.gov (United States)

    Hickey, James; Gottsmann, Joachim; Nakamichi, Haruhisa; Iguchi, Masato

    2016-01-01

    Ground deformation often precedes volcanic eruptions, and results from complex interactions between source processes and the thermomechanical behaviour of surrounding rocks. Previous models aiming to constrain source processes were unable to include realistic mechanical and thermal rock properties, and the role of thermomechanical heterogeneity in magma accumulation was unclear. Here we show how spatio-temporal deformation and magma reservoir evolution are fundamentally controlled by three-dimensional thermomechanical heterogeneity. Using the example of continued inflation at Aira caldera, Japan, we demonstrate that magma is accumulating faster than it can be erupted, and the current uplift is approaching the level inferred prior to the violent 1914 Plinian eruption. Magma storage conditions coincide with estimates for the caldera-forming reservoir ~29,000 years ago, and the inferred magma supply rate indicates a ~130-year timeframe to amass enough magma to feed a future 1914-sized eruption. These new inferences are important for eruption forecasting and risk mitigation, and have significant implications for the interpretations of volcanic deformation worldwide. PMID:27619897

  19. Thermomechanical controls on magma supply and volcanic deformation: application to Aira caldera, Japan.

    Science.gov (United States)

    Hickey, James; Gottsmann, Joachim; Nakamichi, Haruhisa; Iguchi, Masato

    2016-09-13

    Ground deformation often precedes volcanic eruptions, and results from complex interactions between source processes and the thermomechanical behaviour of surrounding rocks. Previous models aiming to constrain source processes were unable to include realistic mechanical and thermal rock properties, and the role of thermomechanical heterogeneity in magma accumulation was unclear. Here we show how spatio-temporal deformation and magma reservoir evolution are fundamentally controlled by three-dimensional thermomechanical heterogeneity. Using the example of continued inflation at Aira caldera, Japan, we demonstrate that magma is accumulating faster than it can be erupted, and the current uplift is approaching the level inferred prior to the violent 1914 Plinian eruption. Magma storage conditions coincide with estimates for the caldera-forming reservoir ~29,000 years ago, and the inferred magma supply rate indicates a ~130-year timeframe to amass enough magma to feed a future 1914-sized eruption. These new inferences are important for eruption forecasting and risk mitigation, and have significant implications for the interpretations of volcanic deformation worldwide.

  20. Thermomechanical treatment of titanium alloys

    International Nuclear Information System (INIS)

    Khorev, A.K.

    1979-01-01

    The problems of the theory and practical application of thermomechanical treatment of titanium alloys are presented. On the basis of the systematic investigations developed are the methods of thermomechanical treatment of titanium alloys, established are the optimum procedures and produced are the bases of their industrial application with an account of alloy technological peculiarities and the procedure efficiency. It is found that those strengthening methods are more efficient at which the contribution of dispersion hardening prevails over the strengthening by phase hardening

  1. Effect of cerium and thermomechanical processing on microstructure

    Indian Academy of Sciences (India)

    The effect of cerium content and thermomechanical processing on structure and properties of Fe–10.5 wt.%Al–0.8 wt%C alloy has been investigated. Alloys were prepared by a combination of air induction melting with flux cover (AIMFC) and electroslag remelting (ESR). The ESR ingots were hot-forged and hotrolled at ...

  2. The effect of thermomechanical processing on the microstructure and mechanical properties of the nanocrystalline TiNiCo shape memory alloy

    International Nuclear Information System (INIS)

    Mohammad Sharifi, E.; Kermanpur, A.; Karimzadeh, F.

    2014-01-01

    The effect of thermomechanical processing comprising cold rolling followed by annealing on the microstructural evolution and mechanical behavior of the Ti 50 Ni 48 Co 2 shape memory alloy was investigated. The annealed specimens were subjected to cold rolling at room temperature with various thickness reductions up to 70%. Transmission electron microscopy revealed that the initial deformation mechanism of Ti 50 Ni 48 Co 2 alloy during cold rolling was stress-induced martensitic transformation followed by plastic deformation of martensite via dislocation slip and subsequent martensite to austenite transformation via the reverse transformation after unloading. Microstructural investigations showed that by increasing the cold deformation, a high density of dislocations is accumulated, leading gradually to nanocrystallization and amorphization. After annealing at 400 °C for 1 h, the amorphous phase formed in the cold rolled specimens was completely crystallized and an entirely nanocrystalline structure was achieved. Results showed that the stress–strain curves of the cold rolled specimens exhibited plastic deformation of austenite without the stress plateau region. However, the stress plateau appeared in the stress–strain curves of the annealed specimens, whose stress level and length were increased with increasing thickness reduction

  3. Determination of the thermo-mechanical properties in starch and starch/gluten systems at low moisture content - a comparison of DSC and TMA.

    Science.gov (United States)

    Homer, Stephen; Kelly, Michael; Day, Li

    2014-08-08

    The impact of heating rate on the glass transition (Tg) and melting transitions observed by differential scanning calorimetry (DSC) on starch and a starch/gluten blend (80:20 ratio) at low moisture content was examined. The results were compared to those determined by thermo-mechanical analysis (TMA). Comparison with dynamic mechanical thermal analysis (DMTA) and phase transition analysis (PTA) is also discussed. Higher heating rates increased the determined Tg as well as the melting peak temperatures in both starch and the starch/gluten blend. A heating rate of 5°C/min gave the most precise value of Tg while still being clearly observed above the baseline. Tg values determined from the first and second DSC scans were found to differ significantly and retrogradation of starch biopolymers may be responsible. Tg values of starch determined by TMA showed good agreement with DSC results where the Tg was below 80°C. However, moisture loss led to inaccurate Tg determination for TMA analyses at temperatures above 80°C. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Analysis of sulphone based organic–inorganic hybrid epoxy nanocomposites for advanced engineering applications—Study of the mechanical, thermomechanical, XRD, EDS and physical properties

    International Nuclear Information System (INIS)

    Shree Meenakshi, K.; Pradeep Jaya Sudhan, E.; Menon, Prathibha G.

    2012-01-01

    Highlights: ► Novel sulphone based tetraglycidyl epoxy nanocomposites were developed for aerospace applications. ► Nano-reinforcements were incorporated and curing was done. ► Excellent results were obtained in the mechanical studies. The nanocomposites developed were flame retardant and hydrophobic. - Abstract: A study was made in the present investigation on sulphone containing tetraglycidyl epoxy nanocomposites to find its suitability for use in high performance applications. The synthesis and characterization of the sulphone tetraglycidyl epoxy resin denoted as ‘B’ was done as reported in our previous study. Nanoclay and POSS-amine nano-reinforcements denoted as N1 and N2 were incorporated into the synthesized epoxy resin. Curing was done with diaminodiphenylmethane (DDM) and bis(3-aminophenyl) phenylphosphine oxide (BAPPO) curing agents denoted as X and Y respectively. In our current research, we continue this research and study the mechanical, thermo-mechanical, X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), viscosity, epoxy equivalent weight (EEW) and gel permeation chromatography (GPC) studies.

  5. Thermomechanical Treatments on High Strength Al-Zn-Mg(-Cu) Alloys

    National Research Council Canada - National Science Library

    Di Russo, E; Conserva, M; Gatto, F

    1974-01-01

    An investigation was carried out to determine the metallurgical properties of Al-Zn-Mg and Al-Zn-Mg-Cu alloy products processed according to newly developed Final Thermomechanical Treatments (FTMT) of T-AHA type...

  6. Thermodynamical properties and thermoelastic coupling of complex macroscopic structure

    International Nuclear Information System (INIS)

    Fabbri, M.; Sacripanti, A.

    1996-11-01

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

  7. Thermodynamic and structural properties in complexing media

    International Nuclear Information System (INIS)

    Di Giandomenico, M.V.

    2007-10-01

    Protactinium is experiencing a renewal of interest in the frame of long-term energy production. Modelling the behaviour of this element in the geosphere requires thermodynamic and structural data relevant to environmental conditions. Now deep clayey formation are considered for the disposal of radioactive waste and high values of natural sulphate contents have been determined in pore water in equilibrium with clay surface. Because of its tendency to polymerisation, hydrolysis and sorption on all solid supports, the equilibria constants relative to monomer species were determined at tracer scale (ca. 10 - 12 M) with 233 Pa. The complexation constants of Pa(V) and sulphate ions were calculated starting from a systematic study of the apparent distribution coefficient D in the system TTA/Toluene/H 2 O/Na 2 SO 4 /HClO 4 /NaClO 4 and as a function of ionic strength, temperature, free sulphate, protons and chelatant concentration. First of all, the interaction between free species H + , SO 4 - , Na + leads to the formation of HSO 4 - and NaSO 4 - , for which concentrations depend upon the related thermodynamic constants. For this purpose a computer code was developed in order to determine all free species concentration. This iterative code takes into account the influence of temperature and ionic strength (SIT modelling) on thermodynamic constants. The direct measure of Pa(V) in the organic and aqueous phase by g-spectrometry had conducted to estimate the apparent distribution coefficient D as function of free sulphate ions. Complexation constants have been determined after a mathematical treatment of D. The extrapolation of these constants at zero ionic strength have been realized by SIT modelling at different temperatures. Besides, enthalpy and entropy values were calculated. Parallelly, the structural study of Pa(V) was performed using 231 Pa. XANES and EXAFS spectra show unambiguously the absence of the trans di-oxo bond that characterizes the other early actinide

  8. Cisplatin carbonato complexes. Implications for uptake, antitumor properties, and toxicity.

    Science.gov (United States)

    Centerwall, Corey R; Goodisman, Jerry; Kerwood, Deborah J; Dabrowiak, James C

    2005-09-21

    The reaction of aquated cisplatin with carbonate which is present in culture media and blood is described. The first formed complex is a monochloro monocarbonato species, which upon continued exposure to carbonate slowly forms a biscarbonato complex. The formation of carbonato species under conditions that simulate therapy may have important implications for uptake, antitumor properties, and toxicity of cisplatin.

  9. Complex Fuzzy Set-Valued Complex Fuzzy Measures and Their Properties

    Science.gov (United States)

    Ma, Shengquan; Li, Shenggang

    2014-01-01

    Let F*(K) be the set of all fuzzy complex numbers. In this paper some classical and measure-theoretical notions are extended to the case of complex fuzzy sets. They are fuzzy complex number-valued distance on F*(K), fuzzy complex number-valued measure on F*(K), and some related notions, such as null-additivity, pseudo-null-additivity, null-subtraction, pseudo-null-subtraction, autocontionuous from above, autocontionuous from below, and autocontinuity of the defined fuzzy complex number-valued measures. Properties of fuzzy complex number-valued measures are studied in detail. PMID:25093202

  10. STABILITY OF WHEELED VEHICLES AS COMPLEX OPERATIONAL PROPERTIES

    Directory of Open Access Journals (Sweden)

    N. Artemov

    2011-01-01

    Full Text Available Different views on the definition of «stability of wheeled vehicles» are considered and the author’s own definition is offered. A version of the structure of stability properties as a complex op-erational property is offered.

  11. PREDICTION OF THERMODYNAMIC PROPERTIES OF COMPLEX FLUIDS

    International Nuclear Information System (INIS)

    Marc Donohue

    2006-01-01

    The goal of this research has been to generalize Density Functional Theory (DFT) for complex molecules, i.e. molecules whose size, shape, and interaction energies cause them to show significant deviations from mean-field behavior. We considered free energy functionals and minimized them for systems with different geometries and dimensionalities including confined fluids (such as molecular layers on surfaces and molecules in nano-scale pores), systems with directional interactions and order-disorder transitions, amphiphilic dimers, block copolymers, and self-assembled nano-structures. The results of this procedure include equations of equilibrium for these systems and the development of computational tools for predicting phase transitions and self-assembly in complex fluids. DFT was developed for confined fluids. A new phenomenon, surface compression of confined fluids, was predicted theoretically and confirmed by existing experimental data and by simulations. The strong attraction to a surface causes adsorbate molecules to attain much higher densities than that of a normal liquid. Under these conditions, adsorbate molecules are so compressed that they repel each other. This phenomenon is discussed in terms of experimental data, results of Monte Carlo simulations, and theoretical models. Lattice version of DFT was developed for modeling phase transitions in adsorbed phase including wetting, capillary condensation, and ordering. Phase behavior of amphiphilic dimers on surfaces and in solutions was modeled using lattice DFT and Monte Carlo simulations. This study resulted in predictive models for adsorption isotherms and for local density distributions in solutions. We have observed a wide variety of phase behavior for amphiphilic dimers, including formation of lamellae and micelles. Block copolymers were modeled in terms of configurational probabilities and in the approximation of random mixing entropy. Probabilities of different orientations for the segments were

  12. Thermomechanical treatment of starch

    NARCIS (Netherlands)

    Goot, van der A.J.; Einde, van den R.M.

    2006-01-01

    Starch is used as a major component in many food and nonfood applications and determines the overall product properties to a large extent. It is therefore important to understand the effect of processing on starch. Many starch-based products are produced using a thermal as well as a mechanical

  13. Complex networks as an emerging property of hierarchical preferential attachment

    Science.gov (United States)

    Hébert-Dufresne, Laurent; Laurence, Edward; Allard, Antoine; Young, Jean-Gabriel; Dubé, Louis J.

    2015-12-01

    Real complex systems are not rigidly structured; no clear rules or blueprints exist for their construction. Yet, amidst their apparent randomness, complex structural properties universally emerge. We propose that an important class of complex systems can be modeled as an organization of many embedded levels (potentially infinite in number), all of them following the same universal growth principle known as preferential attachment. We give examples of such hierarchy in real systems, for instance, in the pyramid of production entities of the film industry. More importantly, we show how real complex networks can be interpreted as a projection of our model, from which their scale independence, their clustering, their hierarchy, their fractality, and their navigability naturally emerge. Our results suggest that complex networks, viewed as growing systems, can be quite simple, and that the apparent complexity of their structure is largely a reflection of their unobserved hierarchical nature.

  14. Tribological properties of the Mo-complex compounds

    International Nuclear Information System (INIS)

    Zajmovskaya, T.A.; Lozovoj, Yu.A.; Kuz'mina, G.N.; Parenago, O.P.

    1995-01-01

    The paper deals with a study of tribological properties of dialkyldithiocarbamic complexes of molybdenum of different structures. The study points to their high antiwear, antiscuff and antifriction activity. It is shown that specific features of the complexes under consideration reside in the manifestation by these complexes of useful tribological properties in the region of very low concentrations in hydrocarbon media and the elevated temperature (up to 150 deg C). The application of X-ray electron spectroscopy allows to ascertain that as a result of a tribological contract the use of hydrocarbon oil containing molybdenum complexes leads to the formation of protective layers on the metal surface which layers contain molybdenum disulphide and sulphur. 18 refs., 2 figs., 2 tabs

  15. Thermo-Mechanical Properties of Semi-Degradable Poly(β-amino ester)-co-Methyl Methacrylate Networks under Simulated Physiological Conditions

    Science.gov (United States)

    Safranski, David L.; Crabtree, Jacob C.; Huq, Yameen R.; Gall, Ken

    2011-01-01

    Poly(β-amino ester) networks are being explored for biomedical applications, but they may lack the mechanical properties necessary for long term implantation. The objective of this study is to evaluate the effect of adding methyl methacrylate on networks' mechanical properties under simulated physiological conditions. The networks were synthesized in two parts: (1) a biodegradable crosslinker was formed from a diacrylate and amine, (2) and then varying concentrations of methyl methacrylate were added prior to photopolymerizing the network. Degradation rate, mechanical properties, and glass transition temperature were studied as a function of methyl methacrylate composition. The crosslinking density played a limited role on mechanical properties for these networks, but increasing methyl methacrylate concentration improved the toughness by several orders of magnitude. Under simulated physiological conditions, networks showed increasing toughness or sustained toughness as degradation occurred. This work establishes a method of creating degradable networks with tailorable toughness while undergoing partial degradation. PMID:21966028

  16. Thermomechanical studies in granite at Stripa, Sweden

    International Nuclear Information System (INIS)

    Cook, N.G.W.; Myer, L.R.

    1981-01-01

    Media other than rock salt are being considered for the deep, geologic disposal of nuclear wastes. The disposal of high-level nuclear waste in a deep, underground repository will subject the rock to a thermal pulse that will induce displacements, strains, and stresses in the rock. Thermomechanical experiments, with electrical heaters simulating the thermal output of waste canisters, were carried out in granite at a depth of 340 m below surface adjacent to a defunct iron ore mine at Stripa, Sweden. Changes in temperature, displacement, and stress in the rock around these heaters were measured, and the measurements were compared with predictions calculated from the theory of linear thermoelasticity. Measured temperature changes agreed well with predictions, but measured displacements and stresses were consistently less than those predicted with constant values for the coefficient of thermal expansion and elastic properties of the rock. A laboratory test program to measure these coefficients over ranges of stress and temperature representing those in the field experiment has been initiated. Test specimens were taken from cores recovered from the instrumentation holes in the Stripa experiments. Preliminary results from laboratory tests on specimens free of joints indicate that the values of Young's modulus and Poisson's ratio increase from about 60 to 80 MPa and from 0.15 to 0.22, respectively, as the confining stress is increased from 2 to 55 MPa; these values decrease with increasing temperature, more so at 2 MPa than at 55 MPa. The linear coefficient of thermal expansion at a confining stress of 30 MPa increases from about 10 x 10 - 6 / 0 C at 40 0 C to about 14 x 10 - 6 / 0 C. The magnitudes of these changes are not sufficient to resolve the disparity between measured and predicted results. Perhaps the properties of test specimens containing joints will show greater variations in the values of the thermomechanical coefficients with temperature and pressure

  17. Physicochemical and biological properties of new steroid metal complexes

    International Nuclear Information System (INIS)

    Huber, R.

    1980-04-01

    The aim of this investigation was to prepare stable steroid metal chelates by chemical conversion of the natural steroid hormones testerone, 5α-dihydrotestosterone (5α-DHT) and estradiol and to characterize these by means of their spectroscopic and other physico-chemical properties. In addition, various measuring techniques for the qualitative and quantitative study of complex stabilities and hydrolytic properties were employed. The distribution of some tritiated steroid metal complexes in the tissues of rats was tested using whole animal autoradiography, mainly with a view to identifying whether selective concentration occurs in certain organs. (orig.) [de

  18. Method and apparatus for the evaluation of a depth profile of thermo-mechanical properties of layered and graded materials and coatings

    Energy Technology Data Exchange (ETDEWEB)

    Finot, M.; Kesler, O.; Suresh, S.

    1998-12-08

    A technique for determining properties such as Young`s modulus, coefficient of thermal expansion, and residual stress of individual layers within a multi-layered sample is presented. The technique involves preparation of a series of samples, each including one additional layer relative to the preceding sample. By comparison of each sample to a preceding sample, properties of the topmost layer can be determined, and residual stress at any depth in each sample, resulting from deposition of the top layer, can be determined. 11 figs.

  19. Method and apparatus for the evaluation of a depth profile of thermo-mechanical properties of layered and graded materials and coatings

    Energy Technology Data Exchange (ETDEWEB)

    Finot, Marc (Somerville, MA); Kesler, Olivera (Cambridge, MA); Suresh, Subra (Wellesley, MA)

    1998-01-01

    A technique for determining properties such as Young's modulus, coefficient of thermal expansion, and residual stress of individual layers within a multi-layered sample is presented. The technique involves preparation of a series of samples, each including one additional layer relative to the preceding sample. By comparison of each sample to a preceding sample, properties of the topmost layer can be determined, and residual stress at any depth in each sample, resulting from deposition of the top layer, can be determined.

  20. Regularizing properties of Complex Monge-Amp\\`ere flows

    OpenAIRE

    Tô, Tat Dat

    2016-01-01

    We study the regularizing properties of complex Monge-Amp\\`ere flows on a K\\"ahler manifold $(X,\\omega)$ when the initial data are $\\omega$-psh functions with zero Lelong number at all points. We prove that the general Monge-Amp\\`ere flow has a solution which is immediately smooth. We also prove the uniqueness and stability of solution.

  1. Effect of different sintering aids on thermo-mechanical properties and oxidation of SiC fibers - Reinforced ZrB{sub 2} composites

    Energy Technology Data Exchange (ETDEWEB)

    Sciti, D., E-mail: diletta.sciti@istec.cnr.it [ISTEC-CNR, Institute of Science and Technology for Ceramics, National Research Council, Via Granarolo 64, I-48018 Faenza (Italy); Silvestroni, L. [ISTEC-CNR, Institute of Science and Technology for Ceramics, National Research Council, Via Granarolo 64, I-48018 Faenza (Italy); Saccone, G.; Alfano, D. [CIRA, Italian Aerospace Research Center, 81043 Capua (Italy)

    2013-01-15

    Reinforced zirconium diboride composites containing 15 vol% of Hi Nicalon SiC chopped fibers were hot pressed with addition of various sintering additives, Si{sub 3}N{sub 4}, ZrSi{sub 2} or MoSi{sub 2}. Depending on the sintering aid, different densification temperatures were set in the range 1650-1750 Degree-Sign C. Temperature and additive strongly influenced the matrix/fiber interface, which in turn had a strong impact on the mechanical properties and the oxidation behavior at 1650 Degree-Sign C. Even the workability, performed either by conventional machining or electro discharge machining, varied depending on the sintering additive and the secondary phases formed in the system. The system containing Si{sub 3}N{sub 4} turned out to have the highest mechanical properties, but intermediate oxidation resistance; the composite containing ZrSi{sub 2} had the lowest sintering temperature, but displayed the worst oxidation resistance, and finally the composite containing MoSi{sub 2} showed intermediate mechanical properties, but the highest oxidation resistance and lowest degree of damage upon machining. Preliminary measurements of thermal shock resistance by the water quenching method were also carried out. -- Highlights: Black-Right-Pointing-Pointer We produced SiC fibers reinforced ZrB{sub 2} using different sintering aids. Black-Right-Pointing-Pointer The sintering additives affected properties, oxidation and machinability. Black-Right-Pointing-Pointer The system containing Si{sub 3}N{sub 4} had the highest mechanical properties. Black-Right-Pointing-Pointer The composite containing MoSi{sub 2} had the highest oxidation resistance. Black-Right-Pointing-Pointer ZrB{sub 2}-SiC fibers have higher thermal shock resistance than ZrB{sub 2}-SiC particles.

  2. Enhancing the ABAQUS Thermomechanics Code to Simulate Steady and Transient Fuel Rod Behavior

    International Nuclear Information System (INIS)

    Williamson, R.L.; Knoll, D.A.

    2009-01-01

    A powerful multidimensional fuels performance capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth, gap heat transfer, and gap/plenum gas behavior during irradiation. The various modeling capabilities are demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multi-pellet fuel rod, during both steady and transient operation. Computational results demonstrate the importance of a multidimensional fully-coupled thermomechanics treatment. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermo-mechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.

  3. Crystallization and thermo-mechanical properties of Li2O-ZnO-CaOSiO2 glass-ceramics with In2O3 and Fe2O3 additives

    Directory of Open Access Journals (Sweden)

    Saad M. Salman

    2015-12-01

    Full Text Available Li2O-ZnO-CaO-SiO2 based glasses were prepared by the conventional melting technique and subsequently converted to glass-ceramics by controlled crystallization. The nucleation and crystallization temperatures were determined by differential thermal analysis (DTA. The effects of adding In2O3 and Fe2O3 addition on the crystallization behaviour and thermo-mechanical properties of the prepared glass-ceramics were investigated. A study on the microstructure, close to the internal phases of the resulting glass-ceramics, was followed by using scanning electron microscope (SEM. The dilatometric thermal expansion and Vickers’ microhardness of the crystalline products were also evaluated. The crystalline phases that can be found in the resulting glass-ceramics, identified by X-ray diffraction (XRD analysis, are α-quartz-[SiO2], lithium zinc silicate-[Li2ZnSiO4], lithium disilicate-[Li2Si2O5], wollastonite-[CaSiO3], wollastonite containing iron, ferrobustamite-[(Ca0.79Fe0.21SiO3], and lithium indium silicate of pyroxene type-[LiInSi2O6]. Average thermal expansion coefficient (in the temperature range 25–700 °C decreased from 191×10-7 1/°C to 115×10-7 1/°C and the Vickers’ microhardness increased from 3.56 to 5.44 GPa with the increase of In2O3 and Fe2O3 contents in the glass-ceramics. The changes in the obtained expansion coefficient and microhardness were due to the formation of different phases which in turn influenced the rigidity/bonding and microstructure in the resultant glass-ceramics.

  4. A convenient strategy to functionalize carbon nanotubes with ascorbic acid and its effect on the physical and thermomechanical properties of poly(amide–imide) composites

    International Nuclear Information System (INIS)

    Mallakpour, Shadpour; Zadehnazari, Amin

    2014-01-01

    Multi-walled carbon nanotubes (MWCNTs) were functionalized by ascorbic acid by a fast strategy under microwave irradiation to improve interfacial interactions and dispersion of CNTs in a poly(amide–imide) (PAI) matrix. This technique provides a rapid and economically viable route to produce covalently functionalized CNTs. The as-prepared, new type of functionalized CNTs were analyzed by several techniques. The thermal stabilities and mechanical interfacial properties of CNT/PAI composites were investigated using several techniques. The dispersion state of CNTs in the PAI matrix was observed by field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). The mechanical interfacial property of the composites was significantly increased by the addition of ascorbic acid treated CNTs. The FE-SEM and TEM results showed that the separation and uniform dispersion of CNTs in the PAI matrix. The overview of these recent results is presented. -- Graphical abstract: Presentation of possible interactions of hydrogen bonding between the MWCNT-AS and the PAI chains. Highlights: • Surface functionalization of MWCNTs with ascorbic acid under microwave irradiation. • The MWCNT-AS/PAI composite films were fabricated by solution blending process. • Microstructure and MWCNT states in the composites were studied. • Thermal and mechanical properties of the composite films were evaluated. • Films of different contents of the MWCNTs-AS showed a superior tensile behavior

  5. Defect Chemistry and Thermomechanical Properties of Ce0.8PrxTb0.2-xO2-delta

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos; Hendriksen, Peter Vang; Hagen, Anke

    2010-01-01

    of the partial molar enthalpy of reduction in the dopants, could successfully reproduce the experimentally determined oxygen nonstoichiometry. X-ray absorption near-edge spectroscopy measurements were performed at the Ce/Pr/Tb L3 and L2 edges. The valence state of each dopant was affected by the presence...... of the co-dopant. The redox properties strongly depended on the lattice strain energy and the mean metal-oxygen bond strength. The thermal and chemical expansion coefficients were determined by dilatometry. The strongly nonlinear behavior of the thermal expansion coefficient originated from the chemical...

  6. Thermo-mechanical properties of mixed-matrix membranes encompassing zeolitic imidazolate framework-90 and polyvinylidine difluoride: ZIF-90/PVDF nanocomposites

    Science.gov (United States)

    Flyagina, Irina S.; Mahdi, E. M.; Titov, Kirill; Tan, Jin-Chong

    2017-08-01

    Mixed-matrix membranes are contemporary nanocomposite materials with many potential applications, from liquid and gas separations to chemical sensors and biomedicine. We report fabrication of a metal-organic framework (MOF)-based nanocomposite, combining polyvinylidene difluoride (PVDF) polymer as the matrix and ZIF-90 nanocrystals of up to 30 wt. % filler content. The focus is to establish the processing—microstructure—mechanical property relationships. We reveal the importance for quantifying salient effects of the filler contents: (i) tensile strength degrades beyond 10 wt. % and (ii) mechanical toughness declines due to membrane embrittlement. These are vital mechanical aspects but widely overlooked in the emergent field of MOF membranes and composites.

  7. Interfacial properties of chitosan/sodium dodecyl sulfate complexes

    Directory of Open Access Journals (Sweden)

    Milinković Jelena R.

    2017-01-01

    Full Text Available Contemporary formulations of cosmetic and pharmaceutical emulsions may be achieved by using combined polymer/surfactant system, which can form complexes with different structure and physicochemical properties. Such complexation can lead to additional stabilization of the emulsion products. For these reasons, the main goal of this study was to investigate the interfacial properties of chitosan/sodium dodecyl sulfate complexes. In order to understand the stabilization mechanism, the interface of the oil/water systems that contained mixtures of chitosan and sodium dodecyl sulfate, was studied by measuring the interfacial tension. Considering the fact that the properties of the oil phase has influence on the adsorption process, three different types of oil were investigated: medium-chain triglycerides (semi-synthetic oil, paraffin oil (mineral oil and natural oil obtained from the grape seed. The surface tension measurements at the oil/water interface, for chitosan water solutions, indicate a poor surface activity of this biopolymer. Addition of sodium dodecyl sulfate to chitosan solution causes a significant decrease in the interfacial tension for all investigated oils. The results of this study are important for understanding the influence of polymer-surfactant interactions on the properties of the solution and stability of dispersed systems. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III46010

  8. Effect of Thermo-Mechanical Treatment on the Interface Microstructure and Mechanical Properties of a STS-Al-Mg 3-ply Plate

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jung-Su; Lee, Sunghak; Chang, Young Won [Pohang University of Science and Technology, Pohang (Korea, Republic of); Lee, Kwang Seok; Kwon, Yong-Nam; Lee, Young-Seon [Korea Institute of Materials Science, Changwon (Korea, Republic of)

    2013-07-15

    The aim of this article is to elucidate the influence of reduction ratio during roll bonding on the microstructural evolution, mechanical properties and room-temperature formability of Al-Cu 2-ply clad metal. The evolution of the interface microstructure was first characterized by a scanning electron microscope (SEM) and transmission electron microscope (TEM) attached with energy dispersive spectroscopy (EDS). The presence of an intermetallic compound as well as severe grain refinement was detected at the interface of the Al-Cu bimetal fabricated under the highest reduction ratio of 65% adopted in this study. Taking into account the difference of the microstructure with a reduction the ratio, mechanical properties and bonding strength were then evaluated by uniaxial tensile and peel tests. It was observed that the bonding strength, elongation and tensile strength for Al-Cu 2-ply sheets were incomparably reduced by decreasing the reduction ratio during the roll bonding process, which directly correlated with the microstructural evolution at the interface. Moreover, the higher reduction ratio during the roll bonding, the more room temperature formability could be achieved for Al-Cu 2-ply sheet by applying both three-point bending and Erichsen tests.

  9. Influence of 1D and 2D Carbon Fillers and Their Functionalisation on Crystallisation and Thermomechanical Properties of Injection Moulded Nylon 6,6 Nanocomposites

    Directory of Open Access Journals (Sweden)

    Fabiola Navarro-Pardo

    2014-01-01

    Full Text Available Carbon nanotubes (CNTs and graphene were used as reinforcing fillers in nylon 6,6 in order to obtain nanocomposites by using an injection moulding process. The two differently structured nanofillers were used in their pristine or reduced form, after oxidation treatment and after amino functionalisation. Three low nanofiller contents were employed. Crystallisation behaviour and perfection of nylon 6,6 crystals were determined by differential scanning calorimetry and wide angle X-ray diffraction, respectively. Crystallinity was slightly enhanced in most samples as the content of the nanofillers was increased. The dimensionality of the materials was found to provide different interfaces and therefore different features in the nylon 6,6 crystal growth resulting in improved crystal perfection. Dynamical, mechanical analysis showed the maximum increases provided by the two nanostructures correspond to the addition of 0.1 wt.% amino functionalised CNTs, enhancing in 30% the storage modulus and the incorporation of 0.5 wt.% of graphene oxide caused an increase of 44% in this property. The latter also provided better thermal stability when compared to pure nylon 6,6 under inert conditions. The superior properties of graphene nanocomposites were attributed to the larger surface area of the two-dimensional graphene compared to the one-dimensional CNTs.

  10. Properties- and applications of quasicrystals and complex metallic alloys.

    Science.gov (United States)

    Dubois, Jean-Marie

    2012-10-21

    This article aims at an account of what is known about the potential for applications of quasicrystals and related compounds, the so-called family of Complex Metallic Alloys (CMAs‡). Attention is focused at aluminium-based CMAs, which comprise a large number of crystalline compounds and quasicrystals made of aluminium alloyed with transition metals (like Fe or Cu) or normal metals like Mg. Depending on composition, the structural complexity varies from a few atoms per unit cell up to thousands of atoms. Quasicrystals appear then as CMAs of ultimate complexity and exhibit a lattice that shows no periodicity anymore in the usual 3-dimensional space. Properties change dramatically with lattice complexity and turn the metal-type behaviour of simple Al-based crystals into a far more complex behaviour, with a fingerprint of semi-conductors that may be exploited in various applications, potential or realised. An account of the ones known to the author is given in the light of the relevant properties, namely light absorption, reduced adhesion and friction, heat insulation, reinforcement of composites for mechanical devices, and few more exotic ones. The role played by the search for applications of quasicrystals in the development of the field is briefly addressed in the concluding section.

  11. Thermomechanical treatment of austempered ductile iron

    Directory of Open Access Journals (Sweden)

    A. A. Nofal

    2007-11-01

    Full Text Available The production of lightweight ferrous castings with increased strength properties became unavoidable facing the serious challenge of lighter aluminum and magnesium castings. The relatively new ferrous casting alloy ADI offers promising strength prospects, and the thermo-mechanical treatment of ductile iron may suggest a new route for production of thin-wall products. This work aims at studying the influence of thermomechanical treatment, either by ausforming just after quenching and before the onset of austempering reaction or by cold rolling after austempering. In the first part of this work, ausforming of ADI up to 25% reduction in height during a rolling operation was found to add a mechanical processing component compared to the conventional ADI heat treatment, thus increasing the rate of ausferrite formation and leading to a much finer and more homogeneous ausferrite product. The kinetics of ausferrite formation was studied using both metallographic as well as XRD-techniques. The effect of ausforming on the strength was quite dramatic (up to 70% and 50% increase in the yield and ultimate strength respectively. A mechanism involving both a refined microstructural scale and an elevated dislocation density was suggested. Nickel is added to ADI to increase hardenability of thick section castings, while ausforming to higher degrees of deformation is necessary to alleviate the deleterious effect of alloy segregation on ductility. In the second part of this work, the influence of cold rolling (CR on the mechanical properties and structural characteristics of ADI was investigated. The variation in properties was related to the amount of retained austenite (γr and its mechanically induced ransformation. In the course of tensile deformation of ADI, transformation induced plasticity (TRIP takes place, indicated by the increase of the instantaneous value of strain-hardening exponent with tensile strain. The amount of retained austenite was found to

  12. Thermo-mechanical properties of mixed-matrix membranes encompassing zeolitic imidazolate framework-90 and polyvinylidine difluoride: ZIF-90/PVDF nanocomposites

    Directory of Open Access Journals (Sweden)

    Irina S. Flyagina

    2017-08-01

    Full Text Available Mixed-matrix membranes are contemporary nanocomposite materials with many potential applications, from liquid and gas separations to chemical sensors and biomedicine. We report fabrication of a metal-organic framework (MOF-based nanocomposite, combining polyvinylidene difluoride (PVDF polymer as the matrix and ZIF-90 nanocrystals of up to 30 wt. % filler content. The focus is to establish the processing—microstructure—mechanical property relationships. We reveal the importance for quantifying salient effects of the filler contents: (i tensile strength degrades beyond 10 wt. % and (ii mechanical toughness declines due to membrane embrittlement. These are vital mechanical aspects but widely overlooked in the emergent field of MOF membranes and composites.

  13. Thermomechanical Response of Self-Assembled Nanoparticle Membranes

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yifan [Department; James; Chan, Henry [Center; Narayanan, Badri [Center; McBride, Sean P. [Department; Sankaranarayanan, Subramanian K. R. S. [Center; Lin, Xiao-Min [Center; Jaeger, Heinrich M. [Department; James

    2017-07-21

    Monolayers composed of colloidal nanoparticles, with a thickness of less than 10 nm, have remarkable mechanical moduli and can suspend over micrometer-sized holes to form free-standing membranes. In this paper, we discuss experiment's and coarse-grained molecular dynamics simulations characterizing the thermomechanical properties of these self-assembled nanoparticle membranes. These membranes remain strong and resilient up to temperatures much higher than previous simulation predictions and exhibit an unexpected hysteretic behavior during the first heating cooling cycle. We show this hysteretic behavior can be explained by an asymmetric ligand configuration from the self assembly process and can be controlled by changing the ligand coverage or cross-linking the ligand molecules. Finally, we show the screening effect of water molecules on the ligand interactions can strongly affect the moduli and thermomechanical behavior.

  14. Modelling the Thermomechanical Conditions in Friction Stir Welding

    DEFF Research Database (Denmark)

    Schmidt, Henrik Nikolaj Blich

    Friction Stir Welding is a solid-state welding process invented by TWI in 1991. The FSW process is unique in the sense that joining of un-weldable alloys readily can be made. The thermomechanical conditions present in the workpiece during the welding process are of great interest since...... these control the properties of the weld. In the present work, a set of experimental, analytical and numerical analyses are carried out in order to evaluate the thermomechanical conditions descriptive for welding of aluminium, in this case AA2024-T3, under a specific set of welding parameters. Despite...... these specific data, the developed models can be applied for other alloys and welding parameters as well. A detailed experiment is carried out which constitutes the basis for the development and validation of the numerical and analytical models presented in this work. The contact condition at the tool...

  15. Unraveling the sub-nanoscopic structure at interphase in a poly(vinyl alcohol)-MOF nanocomposite, and its role in thermo-mechanical properties.

    Science.gov (United States)

    Sharma, S K; Sudarshan, K; Pujari, P K

    2016-09-14

    A microscopic model of the interfacial region is required to improve understanding of the role of local structure in bulk physical properties in metal organic framework-based polymer nanocomposites. A zeolitic imidazolate framework (ZIF-8)-based (loading 2-30 wt%) composite of poly vinyl alcohol (PVA) is studied as a model system to investigate the role of interfacial interaction in molecular packing, glass transition process and tensile properties. Attractive interfacial interaction between the surface of ZIF particles and PVA chains is established by Fourier transform infra red (FTIR) measurements. The morphology of the nanocomposites is characterized using X-ray diffraction and scanning electron microscopy (SEM), showing that aggregation of particles started from 5 wt% of ZIF-8. At low loadings, occurrence of two glass transitions measured using differential scanning calorimetry indicates two spatial zones, viz. interphase and bulk layers, of different packing density in the PVA matrix. With increase in loading, molecular packing throughout the polymer matrix is changed as the interparticle distance and interphase width become comparable. At the highest loading, PVA shows bulk glass transition temperature because of the non-significant volume fraction of interphase resulting from aggregation of ZIF. Molecular packing (free volume structure) of PVA in the nanocomposites is investigated using ortho-positronium lifetime distributions, which show that large vacant spaces are created at the interfacial region leading to a low-density interphase. The existence of a low-density interphase is also supported by bulk-density measurements of the nanocomposites. Tensile testing measurements show a decrease in ductility of the nanocomposites, indicating enhancement in rigidity of polymer chains at the interfacial region because of attractive interfacial interaction. This study indicates that the polymer chain framework at the interfacial region in PVA-MOF nanocomposites can

  16. Structural evolution, thermomechanical recrystallization and electrochemical corrosion properties of Ni-Cu-Mg amorphous coating on mild steel fabricated by dual-anode electrolytic processing

    Energy Technology Data Exchange (ETDEWEB)

    Abdulwahab, M., E-mail: mabdulwahab@abu.edu.ng [Department of Chemical, Metallurgical and Materials Engineering, Tshwane University of Technology, Pretoria (South Africa); Department of Metallurgical and Materials Engineering, Ahmadu Bello University, Zaria (Nigeria); Fayomi, O.S.I., E-mail: ojosundayfayomi3@gmail.com [Department of Chemical, Metallurgical and Materials Engineering, Tshwane University of Technology, Pretoria (South Africa); Department of Mechanical Engineering, Covenant University, Ota (Nigeria); Popoola, A.P.I., E-mail: popoolaapi@tut.ac.za [Department of Chemical, Metallurgical and Materials Engineering, Tshwane University of Technology, Pretoria (South Africa)

    2016-07-01

    Highlights: • The surface of the coat containing Ni-Cu-Mg alloy on mild steel have sufficiently enhanced the properties. • Isothermally treated composites demonstrated 45% increase in the micro-hardness and 79.6% corrosion resistance. • The thermal stability of the developed Ni-Cu-Mg thin films on mild steel was excellent. - Abstract: The electrolytic Ni-Cu based alloy coating with admixed interfacial blend of Mg have been successfully prepared on mild steel substrate by dual anode electroplating processes over a range of applied current density and dwell time. The electrocodeposition of Ni-Cu-Mg coating was investigated in the presence of other bath additives. The influence of deposition current on surface morphology, adhesion behavior, preferred crystal orientation, surface topography and electrochemical activity of Ni-Cu-Mg alloy coating on mild steel were systematically examined. The thermal stability of the developed composite materials was examined via isothermal treatment. Scanning electron microscope equipped with EDS, X-ray diffraction, Atomic force microscope, micro-hardness tester and 3 μmetrohm Potentiostat/galvanostat were used to compare untreated and isothermally treated electrocodeposited composite. The induced activity of the Ni-Cu-Mg alloy changed the surface modification and results to crystal precipitation within the structural interface by the formation of Cu{sub ,} Ni{sub 2}Mg{sub 3} phase. The obtained results showed that the introduction of Mg particles in the plating bath generally modified the surface and brings an increase in the hardness and corrosion resistance of Ni-Cu-Mg layers fabricated. Equally, isothermally treated composites demonstrated an improved properties indicating 45% increase in the micro-hardness and 79.6% corrosion resistance which further showed that the developed composite is thermally stable.

  17. Thermomechanical process optimization of U-10wt% Mo – Part 2: The effect of homogenization on the mechanical properties and microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, Vineet V., E-mail: vineet.joshi@pnnl.gov; Nyberg, Eric A.; Lavender, Curt A.; Paxton, Dean; Burkes, Douglas E.

    2015-10-15

    In the first part of this series, it was determined that the as-cast U-10Mo had a dendritic microstructure with chemical inhomogeneity and underwent eutectoid transformation during hot compression testing. In the present (second) part of the work, the as-cast samples were heat treated at several temperatures and times to homogenize the Mo content. Like the previous as-cast material, the “homogenized” materials were then tested under compression between 500 and 800 °C. The as-cast samples and those treated at 800 °C for 24 h had grain sizes of 25–30 μm, whereas those treated at 1000 °C for 16 h had grain sizes around 250 μm before testing. Upon compression testing, it was determined that the heat treatment had effects on the mechanical properties and the precipitation of the lamellar phase at sub-eutectoid temperatures.

  18. Thermo-mechanical properties of poly ε-caprolactone/poly L-lactic acid blends: addition of nalidixic acid and polyethylene glycol additives.

    Science.gov (United States)

    Douglas, P; Albadarin, Ahmad B; Al-Muhtaseb, Ala'a H; Mangwandi, Chirangano; Walker, G M

    2015-05-01

    The search for ideal biomaterials is still on-going for tissue regeneration. In this study, blends of poly ε-caprolactone (PCL) with poly l-lactic acid (PLLA), nalidixic acid (NA) and polyethylene glycol (PEG) were prepared. Mechanical and thermal properties of the blends were investigated by tensile and flexural analysis, DSC, TGA, WXRD, MFI, BET, SEM and hot stage optical microscopy. Results showed that the loading of PLLA caused a significant decrease in tensile strength and almost total eradication of the elongation at break of PCL matrix, especially after PEG and NA addition. Increased stiffness was also noted with additional NA, PEG and PLLA, resulting in an increase in the flexural modulus of the blends. Isothermal degradation indicated that bulk PCL, PLLA and the blends were thermally stable at 200°C for the duration of 2h making extrusion of the blends at this temperature viable. Morphological study showed that increasing the PLLA content and addition of the very low viscosity PEG and powder NA decreased the Melt Flow Indexer and increased the viscosity. At the higher temperature, the PLLA begins to soften and eventually melts allowing for increased flow and, coupling this with, the natural increase in MFI caused by temperature is enhanced further. The PEG and NA addition increased dramatically the pore volume which is important for cell growth and flow transport of nutrients and metabolic waste. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. A strategy for achieving low percolation and high electrical conductivity in melt-blended polycarbonate (PC/multiwall carbon nanotube (MWCNT nanocomposites: Electrical and thermo-mechanical properties

    Directory of Open Access Journals (Sweden)

    B. B. Khatua

    2013-06-01

    Full Text Available In this work, polycarbonate (PC/multiwall carbon nanotube (MWCNT nanocomposites were prepared by simple melt mixing at a temperature (~350°C well above the processing temperature of PC, followed by compression molding, that exhibited percolation threshold as low as of 0.11 wt% and high electrical conductivity of 1.38x10–3 S•cm–1 at only 0.5 wt% MWCNT loading. Due to the lower interfacial energy between MWCNT and PC, the carbon nanotubes are excellently dispersed and formed continuous conductive network structure throughout the host polymer. AC electrical conductivity and dielectric permittivity of PC/MWCNT nanocomposites were characterized in a broad frequency range, 101–107 Hz. Low percolation threshold (pc of 0.11 wt% and the critical exponent (t of ~3.38 was resulted from scaling law equation. The linear plot of logσDC vs. p–1/3 supported the presence of tunneling conduction among MWCNTs. The thermal property and storage modulus of PC were increased with the incorporation of little amount of MWCNTs. Transmission electron microscopy (TEM and field emission scanning electron microscopy (FESEM confirmed the homogeneous dispersion and distribution of MWCNTs throughout the matrix phase.

  20. Investigation of Thermal and Thermomechanical Properties of Biodegradable PLA/PBSA Composites Processed via Supercritical Fluid-Assisted Foam Injection Molding

    Directory of Open Access Journals (Sweden)

    Sai Aditya Pradeep

    2017-01-01

    Full Text Available Bio-based polymer foams have been gaining immense attention in recent years due to their positive contribution towards reducing the global carbon footprint, lightweighting, and enhancing sustainability. Currently, polylactic acid (PLA remains the most abundant commercially consumed biopolymer, but suffers from major drawbacks such as slow crystallization rate and poor melt processability. However, blending of PLA with a secondary polymer would enhance the crystallization rate and the thermal properties based on their compatibility. This study investigates the physical and compatibilized blends of PLA/poly (butylene succinate-co-adipate (PBSA processed via supercritical fluid-assisted (ScF injection molding technology using nitrogen (N2 as a facile physical blowing agent. Furthermore, this study aims at understanding the effect of blending and ScF foaming of PLA/PBSA on crystallinity, melting, and viscoelastic behavior. Results show that compatibilization, upon addition of triphenyl phosphite (TPP, led to an increase in molecular weight and a shift in melting temperature. Additionally, the glass transition temperature (Tg obtained from the tanδ curve was observed to be in agreement with the Tg value predicted by the Gordon–Taylor equation, further confirming the compatibility of PLA and PBSA. The compatibilization of ScF-foamed PLA–PBSA was found to have an increased crystallinity and storage modulus compared to their physically foamed counterparts.

  1. Effect of thermo-mechanical processing on the material properties at low temperature of a large size Al-Ni stabilized Nb-Ti/Cu superconducting cable

    Science.gov (United States)

    Langeslag, S. A. E.; Curé, B.; Sgobba, S.; Dudarev, A.; ten Kate, H. H. J.; Neuenschwander, J.; Jerjen, I.

    2014-01-01

    For future high-resolution particle experiments, a prototype for a 60 kA at 5 T, 4.2 K class conductor is realized by co-extrusion of a large, 40-strand Nb-Ti/Cu superconducting cable with a precipitation type Al-0.1wt.%Ni stabilizer. Microalloying with nickel contributes to the strength of the stabilizer, and avoids significant degradation in residual resistivity ratio, owing to its low solid solubility in aluminum. Sections of the conductor are work hardened to increase the mechanical properties of the as-extruded temper. Mechanical and resistivity characteristics are assessed as function of the amount of work hardening, at room temperature as well as at 4.2 K. Thermal treatments, like resin curing after coil winding, can cause partial annealing of the cold-worked material and reverse the strengthening effect. However, targeted thermal treatments, applied at relatively low temperature can result in precipitation hardening. The depletion of nickel in the aluminum-rich matrix around the precipitates results in an increased strength and a decreased effect of nickel on the thermal and electrical resistivity of the material. The present work aims at identifying an optimal work hardening sequence, and an optimal thermal treatment, possibly coinciding with a suitable coil resin curing cycle, for the Al-Ni stabilized superconductor.

  2. Effect of γ-irradiation on the thermomechanical and morphological properties of chitosan obtained from prawn shell: Evaluation of potential for irradiated chitosan as plant growth stimulator for Malabar spinach

    International Nuclear Information System (INIS)

    Rahman, Mohammed Mizanur; Kabir, Shahriar; Rashid, Taslim Ur; Nesa, Bodrun; Nasrin, Romana; Haque, Papia; Khan, Mubarak A.

    2013-01-01

    In the present study we have synthesized chitosan from waste prawn shell via γ-irradiation of chitin and subsequent alkaline treatment. The detailed experimental studies demonstrated that nonirradiated chitin deacetylated by 40% NaOH solution showed 72% degree of deacetylation (DD), however 50 kGy irradiated chitin, deacetylated by 20% NaOH demonstrated 81.5% DD. Chitosan in solid state as obtained from γ-irradiation of chitin was further irradiated by different doses (2–100 kGy) of gamma irradiation and the effects of irradiation on the molecular weight, thermo-mechanical by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), and antimicrobial properties were evaluated with respect to nonirradiated chitosan sample. Gamma irradiation of chitosan with a dose of 100 kGy caused a decrease in average molecular weight from 1.9×10 5 to 6.5×10 4 Da and thus increased its solubility in water. Nonirradiated and γ-irradiated chitosan at concentration 1% (w/w) in water were prepared and used to evaluate of its potentiality for growth stimulation of Malabar spinach. The chitosan solution was sprayed on the specimen plants and neighboring soil where germinations were taken place and various plant growth parameters such as plant height, number of leaves, leaf areas, dry and wet weight of the plants and roots were investigated. The details study revealed that application of 30 kGy irradiated chitosan yielded 60% higher growth of the Malabar spinach than that obtained from nonirradiated chitosan. The data are consistent with preliminary results from field experiments and unambiguously confirms that a minor amount of chitosan has a profound effect on the growth and development of Malabar spinach. - Highlight: ► A new approach for chitosan synthesis by γ-irradiation of chitin was described. ► Effect of irradiation on the various properties of chitosan was investigated. ► Irradiation causes scission of glycosidic linkage thus decrease of mw of

  3. Thermomechanical modeling and data analysis for heating experiments at Stripa, Sweden

    International Nuclear Information System (INIS)

    Chan, T.; Littlestone, N.; Wan, O.

    1979-11-01

    Comparisons were made between predicted and measured thermomechanical displacements and stresses for in situ heating experiments at a depth of 340 m in a granite body at Stripa, Sweden. We found that taking into account the temperature dependence of the thermal expansion coefficient and the mechanical properties of the rock substantially improves the agreement between theory and experiment. In general, the displacements calculated using laboratory values of rock properties agree better with field data than in the case of stresses. This may be due to the difference between in situ and laboratory rock modulus. The significance of temperature-dependent rock properties and strength to thermomechanical failure is also discussed

  4. Synthesis, properties and reactivity of intramolecular hypercoordinate silicon complexes

    International Nuclear Information System (INIS)

    Nikolin, A A; Negrebetsky, V V

    2014-01-01

    The state of the art of the chemistry of hypercoordinate silicon compounds is analyzed. Published data on the current top-priority approaches to the preparative synthesis of these compounds and on their properties, structures and reactivity are summarized and generalized. Relying on the results obtained by modern physicochemical methods, the possible mechanisms of stereodynamic processes occurring in the coordination units of hypercoordinate silicon complexes are discussed. The bibliography includes 157 references

  5. Enhancing the ABAQUS thermomechanics code to simulate multipellet steady and transient LWR fuel rod behavior

    International Nuclear Information System (INIS)

    Williamson, R.L.

    2011-01-01

    Highlights: → The ABAQUS thermomechanics code is enhanced to enable simulation of nuclear fuel behavior. → Comparisons are made between discrete and smeared fuel pellet analysis. → Multidimensional and multipellet analysis is important for accurate prediction of PCMI. → Fully coupled thermomechanics results in very smooth prediction of fuel-clad gap closure. → A smeared-pellet approximation results in significant underprediction of clad radial displacements and plastic strain. - Abstract: A powerful multidimensional fuels performance analysis capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO 2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth, gap heat transfer, and gap/plenum gas behavior during irradiation. This new capability is demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multipellet fuel rod, during both steady and transient operation. Comparisons are made between discrete and smeared-pellet simulations. Computational results demonstrate the importance of a multidimensional, multipellet, fully-coupled thermomechanical approach. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermomechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.

  6. Research of complex briquetted modifiers influence on cast iron properties

    Directory of Open Access Journals (Sweden)

    Наталя Валеріївна Сусло

    2016-07-01

    Full Text Available Such properties of cast iron as hardness and shock resistance are relevant and have been investigated. Some possible ways to improve these properties have been studied and solutions to the assigned tasks in accordance with modern trends have been found. The use of nano-dispersed modifiers is most promising in modification. The compositions of experimental complex briquetted modifiers have been developed. The technology of cast iron processing with complex briquetted modifiers has been developed. A series of experiments on the effect of a complex briquetted modifier introduced into cast iron on its properties were carried out. The rational content of components in the briquette that makes maximum use of the modifying effect and improves such service characteristics of cast iron as hardness, impact - and wear-resistance has been defined. Ways of a briquette destruction in metal have been explored. The effect of an organic binder amount on the destruction of a briquette and its dissolution in the melt has been investigated. Rational composition of the briquetted modifier that makes it possible to increase hardness and impact resistance of cast iron has been developed

  7. Thermomechanical Properties of Sb2O3-TeO2-V2O5 Glassy Systems: Thermal Stability, Glass Forming Tendency and Vickers Hardness

    Science.gov (United States)

    Souri, Dariush; Torkashvand, Ziba

    2017-04-01

    Three-component 40TeO2-(60- x)V2O5- xSb2O3 glasses with 0 ≤ x ≤ 10 (in mol.%) were obtained by the rapid melt-quenching method. These glasses were studied with respect to some mechanical properties with the goal of obtaining information about their structure. The Vickers hardness test was employed to obtain Vickers micro-hardness ( H V) at two different loads, which was within the range of 13.187-17.557 GPa for a typical 0.1 HV (0.9807 N) load. In addition, theoretical micro-hardness ( H) was investigated and compared with experimental H V, showing the elevating trend with increase of Sb2O3 content, as for H V. Furthermore, differential scanning calorimetry (DSC) was employed within the range of 150-500°C at heating rates of φ = 3 K/min, 6 K/min, 9 K/min, 10 K/min, and 13 K/min. In this work, thermal stability ( T s = T cr - T x) and glass forming tendency ( K gl) were measured and reported for these glasses to determine the relationship between the chemical composition and the thermal stability, in order to interpret the structure of glass. Generally, from the ascertained outputs [analysis of mechanical data, titration study, the values of reduced fraction of vanadium ions ( C V) and oxygen molar volume ( V_{{O}}^{*} )], it was found that the micro-hardness had an increasing trend with increasing the Sb2O3 content. Among the studied glasses, the sample with x = 8 had a higher average micro-hardness value, the highest average thermal stability and glass forming tendency with respect to the other samples, which makes it a useful material (owning very good resistance against thermal attacks) for device manufacturing.

  8. Towards thermomechanics of fractal media

    Science.gov (United States)

    Ostoja-Starzewski, Martin

    2007-11-01

    Hans Ziegler’s thermomechanics [1,2,3], established half a century ago, is extended to fractal media on the basis of a recently introduced continuum mechanics due to Tarasov [14,15]. Employing the concept of internal (kinematic) variables and internal stresses, as well as the quasiconservative and dissipative stresses, a field form of the second law of thermodynamics is derived. In contradistinction to the conventional Clausius Duhem inequality, it involves generalized rates of strain and internal variables. Upon introducing a dissipation function and postulating the thermodynamic orthogonality on any lengthscale, constitutive laws of elastic-dissipative fractal media naturally involving generalized derivatives of strain and stress can then be derived. This is illustrated on a model viscoelastic material. Also generalized to fractal bodies is the Hill condition necessary for homogenization of their constitutive responses.

  9. Complexation of buffer constituents with neutral complexation agents: part I. Impact on common buffer properties.

    Science.gov (United States)

    Riesová, Martina; Svobodová, Jana; Tošner, Zdeněk; Beneš, Martin; Tesařová, Eva; Gaš, Bohuslav

    2013-09-17

    The complexation of buffer constituents with the complexation agent present in the solution can very significantly influence the buffer properties, such as pH, ionic strength, or conductivity. These parameters are often crucial for selection of the separation conditions in capillary electrophoresis or high-pressure liquid chromatography (HPLC) and can significantly affect results of separation, particularly for capillary electrophoresis as shown in Part II of this paper series (Beneš, M.; Riesová, M.; Svobodová, J.; Tesařová, E.; Dubský, P.; Gaš, B. Anal. Chem. 2013, DOI: 10.1021/ac401381d). In this paper, the impact of complexation of buffer constituents with a neutral complexation agent is demonstrated theoretically as well as experimentally for the model buffer system composed of benzoic acid/LiOH or common buffers (e.g., CHES/LiOH, TAPS/LiOH, Tricine/LiOH, MOPS/LiOH, MES/LiOH, and acetic acid/LiOH). Cyclodextrins as common chiral selectors were used as model complexation agents. We were not only able to demonstrate substantial changes of pH but also to predict the general complexation characteristics of selected compounds. Because of the zwitterion character of the common buffer constituents, their charged forms complex stronger with cyclodextrins than the neutral ones do. This was fully proven by NMR measurements. Additionally complexation constants of both forms of selected compounds were determined by NMR and affinity capillary electrophoresis with a very good agreement of obtained values. These data were advantageously used for the theoretical descriptions of variations in pH, depending on the composition and concentration of the buffer. Theoretical predictions were shown to be a useful tool for deriving some general rules and laws for complexing systems.

  10. Thermomechanical Modelling of Friction Stir Welding

    DEFF Research Database (Denmark)

    Hattel, Jesper Henri; Schmidt, Henrik Nikolaj Blicher; Tutum, Cem Celal

    2009-01-01

    Friction Stir Welding (FSW) is a fully coupled thermomechanical process and should in general be modelled as such. Basically, there are two major application areas of thermomechanical models in the investigation of the FSW process: i) Analysis of the thermomechanical conditions such as e.g. heat...... generation and local material deformation (often referred to as flow) during the welding process itself. ii) Prediction of the residual stresses that will be present in the joint structure post to welding. While the former in general will call for a fully-coupled thermomechanical procedure, however...... for the FSW process at hand, the heat generation must either be prescribed analytically or based on a fully coupled analysis of the welding process itself. Along this line, a recently proposed thermal-pseudo-mechanical model is presented in which the temperature dependent yield stress of the weld material...

  11. Complexation (cucurbit[6]uril-pyrene): Thermodynamic and spectroscopic properties

    Energy Technology Data Exchange (ETDEWEB)

    Sueldo Occello, Valeria N.; Rossi, Rita H. de; Veglia, Alicia V., E-mail: aveglia@fcq.unc.edu.ar

    2015-02-15

    The influence of the macrocyclic compound cucurbit[6]uril (CB6) on the photophysical properties of the fluorophore pyrene (PYR) has been studied. Guest–host interaction was observed by UV–visible spectroscopy and spectrofluorimetry. The fluorescence of PYR was significantly increased in the presence of CB6. The binding equilibrium constants for the complex with 1:1 stoichiometry were determined in HCOOH 55% w/v. The values of the association constants, K{sub A}, and the fluorescence quantum yield ratios between complexed and free substrate, ϕ{sup PYR–CB6}/ϕ{sup PYR}, at different temperatures were (3.1±0.9)×10{sup 2} M{sup −1} and (5.1±0.2), (3.6±0.5)×10{sup 2} M{sup −1} and (5.9±0.1), (4.8±0.7)×10{sup 2} M{sup −1} and (5.5±0.1) at 15.0 °C, 25.0 °C and 40.0 °C, respectively. The enthalpic and entropic contributions to the complexation process were determined, yielding ΔS=(92±3) J mol{sup −1} K{sup −1} and ΔH=(13±1) kJ mol{sup −1}. From these results it can be concluded that the complex formation is mainly driven by the entropic term. The forces involved in the complexation are interpreted from the sign and magnitude of the thermodynamic parameters obtained. The partial inclusion of PYR or the formation of a suspended complex is proposed in base of all the data. The interaction is also demonstrated in the solid state by differential scanning calorimetric (DSC) measurements. - Highlights: • The cucurbit[6]uril (CB6) effects on the absorption and fluorescence of pyrene (PYR) were analyzed. • The association constant (K{sub A}) and the stoichiometry of the complex were determined. • The complex formation was confirmed by differential scanning calorimetry (DSC). • The thermodynamic parameters were determined. • The hydrophobic entropic contribution is the main driving force for the PYR–CB6 complex formation.

  12. Dynamic properties of epidemic spreading on finite size complex networks

    Science.gov (United States)

    Li, Ying; Liu, Yang; Shan, Xiu-Ming; Ren, Yong; Jiao, Jian; Qiu, Ben

    2005-11-01

    The Internet presents a complex topological structure, on which computer viruses can easily spread. By using theoretical analysis and computer simulation methods, the dynamic process of disease spreading on finite size networks with complex topological structure is investigated. On the finite size networks, the spreading process of SIS (susceptible-infected-susceptible) model is a finite Markov chain with an absorbing state. Two parameters, the survival probability and the conditional infecting probability, are introduced to describe the dynamic properties of disease spreading on finite size networks. Our results can help understanding computer virus epidemics and other spreading phenomena on communication and social networks. Also, knowledge about the dynamic character of virus spreading is helpful for adopting immunity policy.

  13. Formal verification of complex properties on PLC programs

    CERN Document Server

    Darvas, D; Voros, A; Bartha, T; Blanco Vinuela, E; Gonzalez Suarez, V M

    2014-01-01

    Formal verification has become a recommended practice in the safety-critical application areas. However, due to the complexity of practical control and safety systems, the state space explosion often prevents the use of formal analysis. In this paper we extend our former verification methodology with effective property preserving reduction techniques. For this purpose we developed general rule-based reductions and a customized version of the Cone of Influence (COI) reduction. Using these methods, the verification of complex requirements formalised with temporal logics (e.g. CTL, LTL) can be orders of magnitude faster. We use the NuSMV model checker on a real-life PLC program from CERN to demonstrate the performance of our reduction techniques.

  14. Two scale damage model and related numerical issues for thermo-mechanical high cycle fatigue

    International Nuclear Information System (INIS)

    Desmorat, R.; Kane, A.; Seyedi, M.; Sermage, J.P.

    2007-01-01

    On the idea that fatigue damage is localized at the microscopic scale, a scale smaller than the mesoscopic one of the Representative Volume Element (RVE), a three-dimensional two scale damage model has been proposed for High Cycle Fatigue applications. It is extended here to aniso-thermal cases and then to thermo-mechanical fatigue. The modeling consists in the micro-mechanics analysis of a weak micro-inclusion subjected to plasticity and damage embedded in an elastic meso-element (the RVE of continuum mechanics). The consideration of plasticity coupled with damage equations at micro-scale, altogether with Eshelby-Kroner localization law, allows to compute the value of microscopic damage up to failure for any kind of loading, 1D or 3D, cyclic or random, isothermal or aniso-thermal, mechanical, thermal or thermo-mechanical. A robust numerical scheme is proposed in order to make the computations fast. A post-processor for damage and fatigue (DAMAGE-2005) has been developed. It applies to complex thermo-mechanical loadings. Examples of the representation by the two scale damage model of physical phenomena related to High Cycle Fatigue are given such as the mean stress effect, the non-linear accumulation of damage. Examples of thermal and thermo-mechanical fatigue as well as complex applications on real size testing structure subjected to thermo-mechanical fatigue are detailed. (authors)

  15. The Spectroscopic and Conductive Properties of Ru(II Complexes with Potential Anticancer Properties

    Directory of Open Access Journals (Sweden)

    Adebayo A. Adeniyi

    2014-01-01

    Full Text Available Different density functional methods (DFT have been used to optimize and study the chemistry of five potential anticancer complexes in terms of their electronic, conductive, and spectroscopic properties. Many of the computed properties in addition to the IR and QTAIM analysis of the NMR are dipole moment vector (μi, linear polarizability tensor (αij, first hyperpolarizability tensors (βijk, polarizability exaltation index (Γ, and chemical hardness (η of the complexes. Stable low energy geometries are obtained using basis set with effective core potential (ECP approximation but, in the computation of atomic or molecular properties, the metal Ru atom is better treated with higher all electron basis set like DGDZVP. The spectroscopic features like the IR of the metal-ligand bonds and the isotropic NMR shielding tensor of the coordinated atoms are significantly influenced by the chemical environment of the participating atoms. The carboxylic and pyrazole units are found to significantly enhance the polarizabilities and hyperpolarizabilities of the complexes while the chloride only improves the polarity of the complexes. Fermi contacts (FC have the highest effect followed by the PSO among all the four Ramsey terms which defined the total spin-spin coupling constant J (HZ of these complexes.

  16. Complexing properties of α-iso-saccharinate: thorium

    International Nuclear Information System (INIS)

    Allard, S.; Ekberg, C.

    2005-01-01

    Full text of publication follows: In the alkaline conditions of the intended Swedish repository for long-lived, low to intermediate level waste, SFL3-5, cellulose based items will degrade with iso-saccharinate being the dominant end-product. Iso-saccharinate is a strong complexing agent for tetravalent actinides, as well as for trivalent lanthanides, and its complexation properties are of interest for the long-term repository assessment. In the presented study, the complexation of 234 Th-α-iso-saccharinate is examined using liquid-liquid- extraction and radioanalytical techniques. An organic phase consisting of 0.1 M acetylacetone in toluene was used with a 1.0 M NaClO 4 aqueous phase kept at pH 8 in a thermostated AKUFVE unit. Since the α-iso-saccharinic system consists of three species - the carboxylic α-iso-saccharinic acid, α-iso-saccharinate and α-D-iso-saccharino-1,4-lactone - care must be taken when choosing the operational pH. Keeping the aqueous phase at pH 8 results in negligible concentrations of all but the α-iso-saccharinate form while at the same time being an excellent pH for the 234 Th-acetylacetone complexation with very limited hydrolysis effect. The α- iso-saccharinate concentration was incrementally increased, and samples of equal volumes were taken from the two phases and analyzed in a liquid scintillation detector once the radioactive equilibrium between 234 Th and 234 Pa had been reached. Two complexation constants were used to fit a distribution equation to the experimental data. (authors)

  17. Multiscale Modeling at Nanointerfaces: Polymer Thin Film Materials Discovery via Thermomechanically Consistent Coarse Graining

    Science.gov (United States)

    Hsu, David D.

    density of states (VDOS) analysis, we discover that increasing backbone to sidechain mass ratio in CG models increases the amplitude of sidechain fluctuations associated with flexibility, and suppresses the free-surface Tg-nanoconfinement effect. This uncovers that intrinsic mass distribution and sidechain flexibility differences in the PS and PMMA chemical structure are central to explaining the dissimilarities in their free surface response. PS and PMMA models are subsequently combined in the supported bilayer film configuration to explore the local Tg-nanoconfinement effect associated with different interface types at nanometer resolution. We find that Tg gradients in the interphase regions where chain mobility deviates from the bulk are independent of the film thickness above a critical thickness and add by the principle of superposition below the critical thickness to good approximation. The analytical expressions describing the interphase regions and their interactions demonstrate geometric universality and can be used to derive accurate local and global Tg estimations for complex nanophase blends and nanocomposite configurations. Our studies ascertain the significance of molecular characteristics on nanoconfinement, and highlight the ability for chemistry-specific CG models to explore and predict thermomechanical property modification accompanying interfacial nanoconfinement.

  18. Chemistry and Properties of Complex Intermetallics from Metallic Fluxes

    Energy Technology Data Exchange (ETDEWEB)

    Kanatzidis, Mercouri G. [Northwestern Univ., Evanston, IL (United States)

    2015-03-28

    This project investigated the reaction chemistry and synthesis of new intermetallic materials with complex compositions and structures using metallic fluxes as solvents. It was found that the metallic fluxes offer several key advantages in facilitating the formation and crystal growth of new materials. The fluxes mostly explored were liquid aluminum, gallium and indium. The main purpose of this project was to exploit the potential of metallic fluxes as high temperature solvent for materials discovery in the broad class of intermetallics. This work opened new paths to compound formation. We discovered many new Si (or Ge)-based compounds with novel structures, bonding and physicochemical properties. We created new insights about the reaction chemistry that is responsible for stabilizing the new materials. We also studied the structural and compositional relationships to understand their properties. We investigated the use of Group-13 metals Al, Ga and In as solvents and have generated a wide variety of new results including several new ternary and quaternary materials with fascinating structures and properties as well as new insights as to how these systems are stabilized in the fluxes. The project focused on reactions of metals from the rare earth element family in combination with transition metals with Si and Ge. For example molten gallium has serves both as a reactive and non-reactive solvent in the preparation and crystallization of intermetallics in the system RE/M/Ga/Ge(Si). Molten indium behaves similarly in that it too is an excellent reaction medium, but it gives compounds that are different from those obtained from gallium. Some of the new phase identified in the aluminide class are complex phases and may be present in many advanced Al-matrix alloys. Such phases play a key role in determining (either beneficially or detrimentally) the mechanical properties of advanced Al-matrix alloys. This project enhanced our basic knowledge of the solid state chemistry

  19. Thermomechanical CSM analysis of a superheater tube in transient state

    Science.gov (United States)

    Taler, Dawid; Madejski, Paweł

    2011-12-01

    The paper presents a thermomechanical computational solid mechanics analysis (CSM) of a pipe "double omega", used in the steam superheaters in circulating fluidized bed (CFB) boilers. The complex cross-section shape of the "double omega" tubes requires more precise analysis in order to prevent from failure as a result of the excessive temperature and thermal stresses. The results have been obtained using the finite volume method for transient state of superheater. The calculation was carried out for the section of pipe made of low-alloy steel.

  20. Thermomechanical behaviour of bolted assemblies

    International Nuclear Information System (INIS)

    Scliffet, L.

    1995-01-01

    This paper presents first results obtained in an R and D study on the thermomechanical behaviour of bolted assemblies. Thermal shocks during operating transients both severely distort such assemblies and cause variations in stud pre-loads. So during a hot shock, the thermal gradient in the flange induced over-tightening due to the differential thermal expansion involved. Over-tightening can reach 70% of the nominal value, usually after 10 to 15 mn, after which the stress relaxes as soon as the heating affects the stud. A series of hot shocks causes assembly fatigue, notably resulting in thread plasticization, making it impossible to tighten the studs. In the case of cold transients, the reverse phenomenon is observed. The hot flange contracts sharply upon contact with the cold fluid, causing stress relief in the expanded studs. The resulting loss of tensile stress, which reaches up to 50%, can then cause severe leakage, especially if the nominal tightening capacity is already impaired. The study presented is based on tests and modelling. (author). 16 figs

  1. Grain size refinement of inconel 718 thermomechanical processing

    International Nuclear Information System (INIS)

    Okimoto, P.C.

    1988-01-01

    Inconel 718 is a Ni-Fe precipitation treated superalloy. It presents good thermal fatigue properties when the material has small grain size. The aim of this work is to study the grain size refinement by thermomechanical processing, through observations of the microstructural evolution and the influence of some of the process variables in the final grain size. The results have shown that this refinement occured by static recrystallization. The presence of precipitates have influenced the final grain size if the deformations are below 60%. For greater deformations the grain size is independent of the precipitate distribution in the matrix and tends to a limit size of 5 μm. (author)

  2. A Numerical Model for the Thermomechanical Conditions During Hydration of Early-age Concrete

    DEFF Research Database (Denmark)

    Hattel, Jesper; Thorborg, Jesper

    2003-01-01

    In the present study, a macroscopic numerical model for the thermomechanical conditions during hydration of early-age concrete is presented. The formulation is based on a semi-coupled, incremental thermomechanical model where the heat production from the hydration process is expressed in terms...... of the maturity and the thermal activation is expressed by the Arrhenius principle. The material properties are assumed to depend on the hydration process via the maturity. The discretization of the governing equations is accomplished by a control volume formulation involving a time-splitting scheme for the heat...

  3. Strengthening of stable Cr-Ni austenitic stainless steel under thermomechanical treatments

    Science.gov (United States)

    Akkuzin, S. A.; Litovchenko, I. Yu.; Tyumentsev, A. N.

    2017-12-01

    The features of microstructure and mechanical properties of stable austenitic steel after thermomechanical treatment consisted of low-temperature deformation, deformation in the temperature range T = 273-873 K, and subsequent annealing were investigated. It is shown that under such treatment direct (γ → α')- and reverse (α'→γ)-martensitic transformations occur in the steel. As a result of the thermomechanical treatment submicrocrystalline structural states with high density of micro- and nanotwins and localized deformation bands are formed. The strength of the steel in these structural states is several times higher than that in the initial state.

  4. Complex forming properties of natural organic acids. Pt. 2

    International Nuclear Information System (INIS)

    Ephraim, J.H.; Mathuthu, A.S.; Marinsky, J.A.

    1990-07-01

    An ultrafiltration technique combined with ion-selective-electrode and atomic absorption methods have been employed to obtain information on the complex forming properties of fulvic acid with iron and calcium. A model for interpreting complexation of metal ions to fulvic acid at any pH, medium ionic strength and metal to fulvic acid ratio developed earlier has been used in an attempt to predict the nature of iron and calcium interaction to Armadale Horizon Bh fulvic acid. Binding of calcium to fulvic acid which is enhanced at pHs greater than 6.0 has reasonably been predicted by the model taking into consideration complications due to the polyelectrolyte nature and the heterogeneity of the fulvic acid. The lack of agreement observed between the model predicted binding behavior and the experimentally observed results for the fulvic acid-iron system has been attributed to the formation of metal-induced aggregation. Reduction of Fe(III) to Fe(II) by the fulvic acid as reported by other workers is corroborated. (orig.)

  5. DFT Study of Optical Properties of Pt-based Complexes

    Science.gov (United States)

    Oprea, Corneliu I.; Dumbravǎ, Anca; Moscalu, Florin; Nicolaides, Atnanassios; Gîrţu, Mihai A.

    2010-01-01

    We report Density Functional Theory (DFT) calculations providing the geometrical and electronic structures, as well as the vibrational and optical properties of the homologous series of Pt-pyramidalized olefin complexes (CH2)n-(C8H10)Pt(PH3)2, where n = 0, 1, and 2, in their neutral and oxidized states. All complexes were geometry optimized for the singlet ground state in vacuum using DFT methods with B3LYP exchange-correlation functional and the Effective Core Potential LANL2DZ basis set, within the frame of Gaussian03 quantum chemistry package. We find the coordination geometry of Pt to be distorted square planar, with dihedral angles ranging from 0°, for n = 0 and 1, which have C2V symmetry to 3.4°, for n = 2 with C2 symmetry. The Mulliken charge analysis allows a discussion of the oxidation state of the Pt ion. Electronic transitions were calculated at the same level of theory by means of Time Dependant-DFT. For n = 2 the electronic absorption bands are located in the UV region of the spectrum, the transitions being assigned to metal to ligand charge transfers. The relevance of these Pt-based compounds as possible pigments for dye-sensitized solar cells is discussed.

  6. Catalytic properties and dynamic behaviour of uranium complexes

    International Nuclear Information System (INIS)

    Le Marechal, J.F.

    1986-01-01

    The catalytic properties of organometallic uranium III and IV compounds in solution as well as reaction mechanisms are studied. The structure in solution of CpUCl 3 L 2 (L=THF, HMPA, OPPh 3 , OP(OR) 3 ) is investigated. When L=HMPA, the complex exists in two isomers in equilibrium with the L ligands either in trans or mer-cis configuration. The isomerization (Ea=92 kJ mol -1 ) as well as the bimolecular exchange with an outer sphere ligand L are observable in 1 H and 31 P NMR, and quantified with the spin saturation transfer technique in several solvents and at different temperatures between 230 and 330 K. This property is extended to other ligands. The compound U(AlH 4 ) 3 is synthetized. This compound catalyses the hydroalumination of olefins by LiAlH 4 with a very good anti-Markovnikov regioselectivity. A simple mechanism for this reaction is suggested. The reactions of the organoaluminates products with several reactants (D 2 O, I 2 , CH 2 O, Allyl-Br...) has been shown to be a powerful synthetic tool. Some specific alkenes and alkynes exhibit an interesting behaviour as dimerization or β-alkyl elimination which is easily interpreted by our mechanism [fr

  7. Preparation and examination of properties of samarium-153-EDTMP complex

    International Nuclear Information System (INIS)

    Nowak, M.; Garnuszek, P.; Lukasiewicz, A.; Wozniak, I.; Zulczyk, W.; Licinska, I.

    1995-01-01

    Preparation and properties of ethylenediaminetetramethylenephosphonic acid (EDTMP) as well as some properties of 153 Sm-EDTMP chelate have been examined. The chelate formed by samarium-153 (46.3 h, β - -decay) with EDTMP exhibits high bone uptake and can be used for treatment of disseminated, painful skeletal metastases. The purity and stability of solutions of 153 Sm-EDTMP chelate were examined in a broad range of samarium concentration and 153 Sm specific activity. The complex under study was examined by radio-TLC, -electrophoresis and radio-HPLC. The results obtained suggest the small size of molecules of 153 Sm-EDTMP chelate as compared with molecules of ''free''EDTMP. The results of biodistribution of 153 Sm-EDTMP determined in rats indicate the quick blood clearance, high deposition of radioactivity in bone and quick excretion of radioactivity into urine. No specific uptake of 153 Sm-EDTMP in extra-skeletal organs was found. (author). 42 refs, 13 figs, 22 tabs

  8. Coupled thermomechanical behavior of graphene using the spring-based finite element approach

    Energy Technology Data Exchange (ETDEWEB)

    Georgantzinos, S. K., E-mail: sgeor@mech.upatras.gr; Anifantis, N. K., E-mail: nanif@mech.upatras.gr [Machine Design Laboratory, Department of Mechanical Engineering and Aeronautics, University of Patras, Rio, 26500 Patras (Greece); Giannopoulos, G. I., E-mail: ggiannopoulos@teiwest.gr [Materials Science Laboratory, Department of Mechanical Engineering, Technological Educational Institute of Western Greece, 1 Megalou Alexandrou Street, 26334 Patras (Greece)

    2016-07-07

    The prediction of the thermomechanical behavior of graphene using a new coupled thermomechanical spring-based finite element approach is the aim of this work. Graphene sheets are modeled in nanoscale according to their atomistic structure. Based on molecular theory, the potential energy is defined as a function of temperature, describing the interatomic interactions in different temperature environments. The force field is approached by suitable straight spring finite elements. Springs simulate the interatomic interactions and interconnect nodes located at the atomic positions. Their stiffness matrix is expressed as a function of temperature. By using appropriate boundary conditions, various different graphene configurations are analyzed and their thermo-mechanical response is approached using conventional finite element procedures. A complete parametric study with respect to the geometric characteristics of graphene is performed, and the temperature dependency of the elastic material properties is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.

  9. Adaptive Surface Modeling of Soil Properties in Complex Landforms

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2017-06-01

    Full Text Available Abstract: Spatial discontinuity often causes poor accuracy when a single model is used for the surface modeling of soil properties in complex geomorphic areas. Here we present a method for adaptive surface modeling of combined secondary variables to improve prediction accuracy during the interpolation of soil properties (ASM-SP. Using various secondary variables and multiple base interpolation models, ASM-SP was used to interpolate soil K+ in a typical complex geomorphic area (Qinghai Lake Basin, China. Five methods, including inverse distance weighting (IDW, ordinary kriging (OK, and OK combined with different secondary variables (e.g., OK-Landuse, OK-Geology, and OK-Soil, were used to validate the proposed method. The mean error (ME, mean absolute error (MAE, root mean square error (RMSE, mean relative error (MRE, and accuracy (AC were used as evaluation indicators. Results showed that: (1 The OK interpolation result is spatially smooth and has a weak bull's-eye effect, and the IDW has a stronger ‘bull’s-eye’ effect, relatively. They both have obvious deficiencies in depicting spatial variability of soil K+. (2 The methods incorporating combinations of different secondary variables (e.g., ASM-SP, OK-Landuse, OK-Geology, and OK-Soil were associated with lower estimation bias. Compared with IDW, OK, OK-Landuse, OK-Geology, and OK-Soil, the accuracy of ASM-SP increased by 13.63%, 10.85%, 9.98%, 8.32%, and 7.66%, respectively. Furthermore, ASM-SP was more stable, with lower MEs, MAEs, RMSEs, and MREs. (3 ASM-SP presents more details than others in the abrupt boundary, which can render the result consistent with the true secondary variables. In conclusion, ASM-SP can not only consider the nonlinear relationship between secondary variables and soil properties, but can also adaptively combine the advantages of multiple models, which contributes to making the spatial interpolation of soil K+ more reasonable.

  10. Wood-plastic composites using thermomechanical pulp made from oxalic acid-pretreated red pine chips

    Science.gov (United States)

    J.E. Winandy; N.M. Stark; E. Horn

    2008-01-01

    The characteristics and properties of wood fiber is one of many factors of critical importance to the performance of wood-plastic composites. In commercial thermo-mechanical pulping (TMP) of wood chips to produce fibers, high temperatures (>100°C) are used to separate the fibers during TMP refining. These mechanical pressures and temperatures are usually modulated...

  11. Nitrogen-containing steels and thermomechanical treatment

    International Nuclear Information System (INIS)

    Kaputkina, L.; Prokoshkina, V.G.; Svyazhin, G.

    2004-01-01

    The strengthening of nitrogen-containing corrosion-resistant steels resulting from alloying and thermomechanical treatment have been investigated using X-ray diffraction analysis, light microscopy, hardness measurements and tensile testing. Combined data have been obtained for nitrogen interaction with alloying elements , peculiarities of deformed structure and short-range of nitrogen-containing steels of various structural classes. The higher nitrogen and total alloying element contents, the higher deformation strengthening. Prospects of use the steels with not high nitrogen content and methods of their thermomechanical strengthening are shown. High temperature thermomechanical treatment (HTMT) is very effective for obtaining high and thermally stable constructional strength of nitrogen-containing steels of all classes. The HTMT is most effective if used in a combination with dispersion hardening for aging steels or in the case of mechanically unstable austenitic steels. (author)

  12. Large Scale Emerging Properties from Non Hamiltonian Complex Systems

    Directory of Open Access Journals (Sweden)

    Marco Bianucci

    2017-06-01

    Full Text Available The concept of “large scale” depends obviously on the phenomenon we are interested in. For example, in the field of foundation of Thermodynamics from microscopic dynamics, the spatial and time large scales are order of fraction of millimetres and microseconds, respectively, or lesser, and are defined in relation to the spatial and time scales of the microscopic systems. In large scale oceanography or global climate dynamics problems the time scales of interest are order of thousands of kilometres, for space, and many years for time, and are compared to the local and daily/monthly times scales of atmosphere and ocean dynamics. In all the cases a Zwanzig projection approach is, at least in principle, an effective tool to obtain class of universal smooth “large scale” dynamics for few degrees of freedom of interest, starting from the complex dynamics of the whole (usually many degrees of freedom system. The projection approach leads to a very complex calculus with differential operators, that is drastically simplified when the basic dynamics of the system of interest is Hamiltonian, as it happens in Foundation of Thermodynamics problems. However, in geophysical Fluid Dynamics, Biology, and in most of the physical problems the building block fundamental equations of motions have a non Hamiltonian structure. Thus, to continue to apply the useful projection approach also in these cases, we exploit the generalization of the Hamiltonian formalism given by the Lie algebra of dissipative differential operators. In this way, we are able to analytically deal with the series of the differential operators stemming from the projection approach applied to these general cases. Then we shall apply this formalism to obtain some relevant results concerning the statistical properties of the El Niño Southern Oscillation (ENSO.

  13. Blanket Manufacturing Technologies : Thermomechanical Tests on HCLL Blanket Mocks Up

    International Nuclear Information System (INIS)

    Laffont, G.; Cachon, L.; Taraud, P.; Challet, F.; Rampal, G.; Salavy, J.F.

    2006-01-01

    In the Helium Cooled Lithium Lead (HCLL) Blanket concept, the lithium lead plays the double role of breeder and multiplier material, and the helium is used as coolant. The HCCL Blanket Module are made of steel boxes reinforced by stiffening plates. These stiffening plates form cells in which the breeder is slowly flowing. The power deposited in the breeder material is recovered by the breeder cooling units constituted by 5 parallel cooling plates. All the structures such as first wall, stiffening and cooling plates are cooled by helium. Due to the complex geometry of these parts and the high level of pressure and temperature loading, thermo-mechanical phenomena expected in the '' HCLL blanket concept '' have motivated the present study. The aim of this study, carried out in the frame of EFDA Work program, is to validate the manufacturing technologies of HCLL blanket module by testing small scale mock-up under breeder blanket representative operating conditions.The first step of this experimental program is the design and manufacturing of a relevant test section in the DIADEMO facility, which was recently upgraded with an He cooling loop (pressure of 80 bar, maximum temperature of 500 o C,flow rate of 30 g/s) taking the opportunity of synergies with the gas-cooled fission reactor R-and-D program. The second step will deal with the thermo-mechanical tests. This paper focuses on the program made to support the cooling plate mock up tests which will be carried out on the DIADEMO facility (CEA) by thermo-mechanical calculations in order to define the relevant test conditions and the experimental parameters to be monitored. (author)

  14. Luminescent properties of terbium complex with phenylanthranilic acid

    International Nuclear Information System (INIS)

    Alakaeva, L.A.; Kalazhokova, I.A.; Naurzhanova, F.Kh.

    1990-01-01

    Existence of terbium luminescence reaction in complex with phenanthranilic acid (FAA) is ascertained. The optimal conditions of terbium complexing with FAA are found. The ratio of components in the complex is 1:1. The influence of foreign rare earth in terbium luminescence intensity in complex with FAA is studied

  15. Dual-phase ULCB steels thermomechanically processed

    International Nuclear Information System (INIS)

    Lis, A.K.; Lis, J.

    2001-01-01

    The design philosophy of the processing of dual-phase (D-P) ultra low carbon steels (ULCB) by thermomechanical treatment has been briefly discussed. Modelling of the structure evolution during thermomechanical rolling of ULCB steel was based upon the established empirical equations for yield flow at different conditions of: deformation temperatures, strain rates and stresses for applied amount of deformation during hot deformation compression tests. The critical amount of deformation needed for the occurrence of dynamic or static recrystallization was determined. The dependence of grain refinement of the acicular bainitic and polygonal ferrite of the accelerated cooling and amount of stored energy of deformation in steel has been evaluated. Effect of the decreasing of the finishing temperature of thermomechanical processing on the increase of the impact toughness of dual-phase microstructure consisted of the bainitie-martensite islands in the ferrite matrix has been shown. The effect of ageing process after thermomechanical rolling of heavy plates on fracture toughness values of J 0.2 for ULCB-Ni steels has been established from cod tests measurements. New low cost technology of rolling of ULCB steels dual-phase is proposed. (author)

  16. ISOTHERMAL AND THERMOMECHANICAL FATIGUE OF A NICKEL-BASE SUPERALLOY

    Directory of Open Access Journals (Sweden)

    Carlos Carvalho Engler-Pinto Júnior

    2014-06-01

    Full Text Available Thermal gradients arising during transient regimes of start-up and shutdown operations produce a complex thermal and mechanical fatigue loading which limits the life of turbine blades and other engine components operating at high temperatures. More accurate and reliable assessment under non-isothermal fatigue becomes therefore mandatory. This paper investigates the nickel base superalloy CM 247LC-DS under isothermal low cycle fatigue (LCF and thermomechanical fatigue (TMF. Test temperatures range from 600°C to 1,000°C. The behavior of the alloy is strongly affected by the temperature variation, especially in the 800°C-1,000°C range. The Ramberg-Osgood equation fits very well the observed isothermal behavior for the whole temperature range. The simplified non-isothermal stress-strain model based on linear plasticity proposed to represent the thermo-mechanical fatigue behavior was able to reproduce the observed behavior for both in-phase and out-of-phase TMF cycling.

  17. Thermal and thermo-mechanical behavior of butyl based rubber exposed to silicon oil at elevated temperature

    International Nuclear Information System (INIS)

    Ali, S.; Ramzan, S.; Raza, R.; Ahmed, F.; Hussain, R.; Ullah, S.; Ali, S.

    2013-01-01

    Silica reinforced rubbers are used as chemical resistant seals at high temperature. In this study the effect of alkali and silicon oil on the thermal and thermo-mechanical properties of the silica reinforced butyl rubber exposed as an interface between two liquid media at elevated temperature is investigated. Rubber bladder containing alkaline solution was immersed in silicon oil at 195+-5 degree C for multiple cycles and loss in its thermal, thermo-mechanical and mechanical properties were studied by TGA, DMA and Tinius Olsen Testing Machine supported by FTIR and Optical microscopy. It was observed that the thermal and thermo-mechanical properties of butyl rubber were negatively affected due to leaching out of silica filler embedded in an organic matrix at elevated temperature. The thermal stability of exposed rubber was decreased around 200 degree C and the loss of storage modulus was observed up to 99.5% at -59 degree C. (author)

  18. Lewis base binding affinities and redox properties of plutonium complexes

    International Nuclear Information System (INIS)

    Oldham, Susan M.; Schake, Ann R.; Burns, Carol J.; Morgan, Arthur N. III; Schnabel, Richard C.; Warner, Benjamin P.; Costa, David A.; Smith, Wayne H.

    2000-01-01

    As part of the actinide molecular science competency development effort, the initial goal of this work is to synthesize and investigate several series of complexes, varying by actinide metal, ligand set, and oxidation state. We are examining the reactivity of plutonium and neptunium organometallic complexes to elucidate fundamental chemical parameters of the metals. These reactions will be compared to those of the known corresponding uranium complexes in order to recognize trends among the actinide elements and to document differences in chemical behavior

  19. Symmetry, Optical Properties and Thermodynamics of Neptunium(V Complexes

    Directory of Open Access Journals (Sweden)

    Linfeng Rao

    2009-12-01

    Full Text Available Recent results on the optical absorption and symmetry of the Np(V complexes with dicarboxylate and diamide ligands are reviewed. The importance of recognizing the “silent” feature of centrosymmetric Np(V species in analyzing the absorption spectra and calculating the thermodynamic constants of Np(V complexes is emphasized.

  20. Non-destructive thermo-mechanical behavior assessment of glass-ceramics for dental applications

    Science.gov (United States)

    Kordatos, E. Z.; Abdulkadhim, Z.; Feteira, A. M.

    2017-05-01

    Every year millions of people seek dental treatment to either repair damaged, unaesthetic and dysfunctional teeth or replace missing natural teeth. Several dental materials have been developed to meet the stringent requirements in terms of mechanical properties, aesthetics and chemical durability in the oral environment. Glass-ceramics exhibit a suitable combination of these properties for dental restorations. This research is focused on the assessment of the thermomechanical behavior of bio-ceramics and particularly lithium aluminosilicate glass-ceramics (LAS glass-ceramics). Specifically, methodologies based on Infrared Thermography (IRT) have been applied in order the structure - property relationship to be evaluated. Non-crystallized, partially crystallized and fully crystallized glass-ceramic samples have been non-destructively assessed in order their thermo-mechanical behavior to be associated with their micro-structural features.

  1. Introduction to nonlinear thermomechanics of solids

    CERN Document Server

    Kleiber, Michał

    2016-01-01

    The first part of this textbook presents the mathematical background needed to precisely describe the basic problem of continuum thermomechanics. The book then concentrates on developing governing equations for the problem dealing in turn with the kinematics of material continuum, description of the state of stress, discussion of the fundamental conservation laws of underlying physics, formulation of initial-boundary value problems and presenting weak (variational) formulations. In the final part the crucial issue of developing techniques for solving specific problems of thermomechanics is addressed. To this aim the authors present a discretized formulation of the governing equations, discuss the fundamentals of the finite element method and develop some basic algorithms for solving algebraic and ordinary differential equations typical of problems on hand. Theoretical derivations are followed by carefully prepared computational exercises and solutions.

  2. Salicylamide and salicylglycine oxidovanadium complexes with insulin-mimetic properties.

    Science.gov (United States)

    Nilsson, Jessica; Shteinman, Albert A; Degerman, Eva; Enyedy, Eva A; Kiss, Tamás; Behrens, Ulrich; Rehder, Dieter; Nordlander, Ebbe

    2011-12-01

    Reaction of N-(2-hydroxybenzyl)-N-(2-picolyl) glycine (H(2)papy) with VOSO(4) in water gives the oxidovanadium(V) oxido-bridged dimer [{(papy)(VO)}(2) μ-O)] (1). Similarly, reaction of N-(2-hydroxybenzyl) glycine (H(2)glysal) with VOSO(4) gives [(glysal)VO(H(2)O)] (2) and reaction of salicylamide (Hsalam) with VOSO(4) in methanol gives [(salam)(2)VO] (3). The crystal structure of the oxido-bridged complex 1 is reported. The insulin-mimetic activity of all three complexes was evaluated with respect to their ability to phosphorylate protein kinase B (PKB). The speciations of complexes 1 and 2 were studied over the pH range 2-10. Complex 1 shows greater stability over the whole pH range but only 2 and 3 exhibit an insulin-mimetic effect. Copyright © 2011 Elsevier Inc. All rights reserved.

  3. Synthesis and spectral properties of Chromium(III) complex of ...

    African Journals Online (AJOL)

    ISSCH) with chromium(III) chloride. The complex was characterized by molar conductance, magnetic moment, infrared, far-infrared and electronic spectra and elemental analysis. The ligand exists in keto tantomeric form and it coordinates through ...

  4. Physiochemical properties of the complex of myricetin and ...

    African Journals Online (AJOL)

    visible spectrometry (UV), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), differential scanning calorimetry (DSC) and x-ray diffractometry (XRD). Results: The content of myricetin in the complex prepared in ...

  5. Synthesis and spectral properties of europium phthalocyanine complexes

    International Nuclear Information System (INIS)

    Maksimova, K.N.; Bazyakina, N.L.; Kutyreva, V.V.; Suvorova, O.N.; Domrachev, G.A.

    2008-01-01

    Synthesis of europium monophthalocyanic complexes with thenoyltrifluroacetonate (tta) and ferrocenoyltrifluoroacetate (fta) ligands has been considered. Spectral characteristics of complexes PcEu(tta)(ttaH) and PcEu(fta)(ftaH) (Pc - phthalocyanine ligand) have been investigated. One of β-diketonate ligand is proposed to bind with europium ion covalently, and the second ligand saturates coordination sphere of europium due to donor-acceptor binding [ru

  6. Properties of emulsions stabilised by sodium caseinate–chitosan complexes

    NARCIS (Netherlands)

    Zinoviadou, K.; Scholten, E.; Moschakis, T.; Biliaderis, C.G.

    2012-01-01

    Oil-in-water emulsions (10%, w/w, oil) were prepared at pH 5.7 by using electrostatically formed complexes of 0.5% (w/w) sodium caseinate (Na-CAS) and 0–0.6% (w/w) chitosan. Emulsions stabilized by complexes with increased levels of chitosan (>0.2% w/w) had a smaller average droplet size and

  7. Thermomechanical behavior of mica layers with lenticular fissures

    Science.gov (United States)

    Yang, Michael Xinyi

    The thermomechanical behavior of natural phlogopite mica specimens from seven different origins is characterized. An initial heat treatment, to a temperature between 300°C and 400°C, is found to form fissures that stabilize in the material. Following the initial heat treatment, all the phlogopite specimens, regardless of their origin and polytype, exhibit the extraordinarily large thermal expansion (intumescence), more than 200% at 600°C, in the direction perpendicular to the basal planes. This phenomenon is strictly reproducible when tested under a range of thermal conditions including thermal shock, multiple thermal fatigue cycles, varying heating or cooling rates and isothermal heating over an extensive period of time at different temperatures up to 585°C. The hysteresis, associated with the thermal cycle, is increased when the specimen is heated or cooled at a faster rate. The maximum coefficient of linear thermal expansion, approximately 10 -2°C-1, is observed over the temperature range 100--120°C. This is due to the non-structural water, entrapped within the layer structure, which undergoes a phase transition and causes the mica layers to expand abruptly. A model of lenticular fissures is developed based on thin-plate mechanics and thermodynamics assumptions. The state of a lenticular fissure with water vapor molecules is determined to correlate the experimental parameters with the material properties. The average density of water vapor molecules within a lenticular fissure is calculated to be ˜1025 m 3 for the temperature interval between 100°C and 275°C. The concentration of non-structure water, based on the model calculation, is less than 0.1% by weight. Acoustic emission (AE) signals have been reported by Pranevicius et al. (1995) to correspond to the microstructure changes as the internal lenticular fissures develop in phlogopite. This technique has also been proven feasible to characterize the thermomechanical behavior of other layer structures

  8. Computerized simulation of YAG pulse laser welding of titanium alloy (TA6V): experimental characterization and modelling of the thermomechanical aspects of this process

    International Nuclear Information System (INIS)

    Robert, Y.

    2007-09-01

    This work is a part of study which goal is to realize a computer modelling of the thermomechanical phenomena occurring during the YAG pulse laser welding of titanium alloy (TA6V). The filet welding has different heterogeneities (microstructural and mechanical). In fact, the temperature causes microstructural changes (phase transformations, precipitations) and modifies the mechanical properties. Thermomechanical modelling has thus to be established for the welding of TA6V. (author)

  9. Standard practice for strain controlled thermomechanical fatigue testing

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 This practice covers the determination of thermomechanical fatigue (TMF) properties of materials under uniaxially loaded strain-controlled conditions. A “thermomechanical” fatigue cycle is here defined as a condition where uniform temperature and strain fields over the specimen gage section are simultaneously varied and independently controlled. This practice is intended to address TMF testing performed in support of such activities as materials research and development, mechanical design, process and quality control, product performance, and failure analysis. While this practice is specific to strain-controlled testing, many sections will provide useful information for force-controlled or stress-controlled TMF testing. 1.2 This practice allows for any maximum and minimum values of temperature and mechanical strain, and temperature-mechanical strain phasing, with the restriction being that such parameters remain cyclically constant throughout the duration of the test. No restrictions are placed on en...

  10. Thermo-mechanical process for treatment of welds

    International Nuclear Information System (INIS)

    Malik, R.K.

    1980-03-01

    Benefits from thermo-mechanical processing (TMP) of austenitic stainless steel weldments, analogous to hot isostatic pressing (HIP) of castings, most likely result from compressive plastic deformation, enhanced diffusion, and/or increased dislocation density. TMP improves ultrasonic inspectability of austenitic stainless steel welds owing to: conversion of cast dendrites into equiaxed austenitic grains, reduction in size and number of stringers and inclusions, and reduction of delta ferrite content. TMP induces structural homogenization and healing of void-type defects and thus contributes to an increase in elongation, impact strength, and fracture toughness as well as a significant reduction in data scatter for these properties. An optimum temperature for TMP or HIP of welds is one which causes negligible grain growth and an acceptable reduction in yield strength, and permits healing of porosity

  11. Thermomechanical modeling of the Spent Fuel Test-Climax

    International Nuclear Information System (INIS)

    Butkovich, T.R.; Patrick, W.C.

    1986-02-01

    The Spent Fuel Test-Climax (SFT-C) was conducted to evaluate the feasibility of retrievable deep geologic storage of commercially generated spent nuclear-reactor fuel assemblies. One of the primary aspects of the test was to measure the thermomechanical response of the rock mass to the extensive heating of a large volume of rock. Instrumentation was emplaced to measure stress changes, relative motion of the rock mass, and tunnel closures during three years of heating from thermally decaying heat sources, followed by a six-month cooldown period. The calculations reported here were performed using the best available input parameters, thermal and mechanical properties, and power levels which were directly measured or inferred from measurements made during the test. This report documents the results of these calculations and compares the results with selected measurements made during heating and cooling of the SFT-C

  12. Thermomechanical modeling of the Spent Fuel Test-Climax

    Energy Technology Data Exchange (ETDEWEB)

    Butkovich, T.R.; Patrick, W.C.

    1986-02-01

    The Spent Fuel Test-Climax (SFT-C) was conducted to evaluate the feasibility of retrievable deep geologic storage of commercially generated spent nuclear-reactor fuel assemblies. One of the primary aspects of the test was to measure the thermomechanical response of the rock mass to the extensive heating of a large volume of rock. Instrumentation was emplaced to measure stress changes, relative motion of the rock mass, and tunnel closures during three years of heating from thermally decaying heat sources, followed by a six-month cooldown period. The calculations reported here were performed using the best available input parameters, thermal and mechanical properties, and power levels which were directly measured or inferred from measurements made during the test. This report documents the results of these calculations and compares the results with selected measurements made during heating and cooling of the SFT-C.

  13. Gamma ray induced chromophore modification of softwood thermomechanical pulp

    International Nuclear Information System (INIS)

    Robert, S.; Daneault, C.; Viel, C.; Lepine, F.

    1992-01-01

    This study focuses on bleaching a softwood (black spruce, balsam fur) thermomechanical pulp with gamma rays. Gamma rays are known for their enormous penetrating power, along with their ionizing properties. They can generate highly energetic radicals capable of oxidizing lignin chromophores. The authors studied the influence of isopropyl alcohol, sodium borohydride, oxygen, hydrogen peroxide, nitrogen dioxide and water along with gamma ray irradiation of the pulps. The authors measured the optimal dose and dose rate, along with the influence of the radical scavengers like oxygen on the bleaching effect of gamma irradiated pulps. They observe various degrees of bleaching of these pulps. Evidence relates this bleaching to the generation of perhydroxyl anions upon irradiation of water. Also, they were able to pinpoint the influence of the dose rate on the rate of formation and disappearance of these perhydroxyl anions and their influence on bleaching kinetics. Stability toward photoyellowing, and photoyellowing's kinetic of papers from these pulps was also studied

  14. Rheological properties of wheat starch influenced by amylose-lysophosphatidylcholine complexation at different gelation phases

    NARCIS (Netherlands)

    Ahmadiabhari, Salomeh; Woortman, Albert; Hamer, Rob; Loos, Katja

    2015-01-01

    Amylose is able to form helical inclusion complexes with lysophosphatidylcholine (LPC). This complexation influences the functional and rheological properties of wheat starch; however it is well known that the formation of these complexes lead the starchy systems to a slower enzymatic hydrolysis.

  15. Rheological properties of wheat starch influenced by amylose-lysophosphatidylcholine complexation at different gelation phases

    NARCIS (Netherlands)

    Ahmadi-Abhari, S.; Woortman, A.J.J.; Hamer, R.J.; Loos, K.

    2015-01-01

    Amylose is able to form helical inclusion complexes with lysophosphatidylcholine (LPC). This complexation influences the functional and rheological properties of wheat starch; however it is well known that the formation of these complexes lead the starchy systems to a slower enzymatic hydrolysis.

  16. Spectral, magnetic, and thermal properties of some thiazolylazo complexes

    Energy Technology Data Exchange (ETDEWEB)

    Masoud, M. S.; Mohamed, G. B.; Abdulrazek, Y. H.; Ali, A. E. [Alexandria Univ., Alexandria (Egypt); Khairy, F. N. [Ahfad Univ. for Women, Omderman (Sudan)

    2002-04-01

    The thiazolylazo compounds and their Co(II), Ni(II) and Cu(II) complexes of barbituric acid, uracil, thiouracil, citrazinic acid, chromotropic acid, gallic acid, pyrogallol and salicylic acid were prepared and characterized by {sup 1}H NMR, IR and the effect of pH on the electronic absorption spectra. The mode of ionization, the electronic transitions and the dissociation constants were discussed. The stoichiometries of the complexed were of 1:1, 2:1 and 3:2 (M:L). The copper complexes are of isotropic ESR spectra (except that of gallic acid which showed a complicated one) and are of magnetically diluted behavior with orbital contribution. Detailed DTA data were obtained and discussed.

  17. Spectral, magnetic, and thermal properties of some thiazolylazo complexes

    International Nuclear Information System (INIS)

    Masoud, M. S.; Mohamed, G. B.; Abdulrazek, Y. H.; Ali, A. E.; Khairy, F. N.

    2002-01-01

    The thiazolylazo compounds and their Co(II), Ni(II) and Cu(II) complexes of barbituric acid, uracil, thiouracil, citrazinic acid, chromotropic acid, gallic acid, pyrogallol and salicylic acid were prepared and characterized by 1 H NMR, IR and the effect of pH on the electronic absorption spectra. The mode of ionization, the electronic transitions and the dissociation constants were discussed. The stoichiometries of the complexed were of 1:1, 2:1 and 3:2 (M:L). The copper complexes are of isotropic ESR spectra (except that of gallic acid which showed a complicated one) and are of magnetically diluted behavior with orbital contribution. Detailed DTA data were obtained and discussed

  18. Thermochemical properties of rare earth complexes with salicylic acid

    International Nuclear Information System (INIS)

    Yang Xuwu; Sun Wujuan; Ke Congyu; Zhang Hangguo; Wang Xiaoyan; Gao Shengli

    2007-01-01

    Fourteen rare earth complexes with salicylic acid RE(HSal) 3 .nH 2 O (HSal = C 7 H 5 O 3 ; RE = La-Sm, n = 2; RE = Eu-Lu, n = 1) were synthesized and characterized by elemental analysis, and their thermal decomposition mechanism were studied with TG-DTG technology. The constant-volume combustion energies of complexes, Δ c U, were determined by a precise rotating-bomb calorimeter at 298.15 K. Their standard molar enthalpies of combustion, Δ c H m 0 , and standard molar enthalpies of formation, Δ f H m o , were calculated

  19. Uranium hetero-bimetallic complexes: synthesis, structure and magnetic properties

    International Nuclear Information System (INIS)

    Le Borgne, Th.

    2000-01-01

    The aim of this thesis is to synthesize molecular complexes with uranium and transition metal ions in close proximity, to determine the nature of the magnetic interaction between them. We decided to use Schiff bases as assembling ligands, which are unusual for uranium (IV). Although the simplest Schiff bases, such as H 2 Salen, lead to ligand exchange reactions, the bi-compartmental Schiff base H 4 L 6 (bis(3-hydroxy-salicylidene) - 2,2-dimethyl-propylene) allows the crystal structure determination of the complex [L 6 Cu(pyr)]U[L 6 Cu].2pyr, obtained by reaction of the metallo-ligand H 2 L 6 Cu with U(acac) 4 . In this manner, the complexes [L 6 Co(pyr)] 2 U and [L 6 Ni(pyr)] 2 U.pyr were also isolated, as well as the compounds in which the paramagnetic ions have been exchanged by the diamagnetic ions Zn II , Zr IV and Th IV ': [L 6 Zn(pyr)] 2 U, [L 6 Cu] 2 Zr and [L 6 Cu(pyr)]Th[L 6 Cu].2pyr. These complexes are the first which involve three metallic centres assembling by the means of a hexa-dentate Schiff base. The crystalline structures show, for all these complexes, the outstanding orthogonal arrangement of the two fragments L 6 M around the central atom which is in a dodecahedral environment of eight oxygen atoms of two Schiff bases. The syntheses of the isostructural complexes Cu2 II and Zn 2 U in which the uranium (IV) ion is close, in the first one, to the paramagnetic ion Cu II and, in the second one, to the diamagnetic ion Zn II , has allowed the use of the empiric method to determine the nature of the magnetic interaction between an f element and a transition metal. The comparison of the magnetic behaviour of two complexes Cu 2 U and Zn 2 U, expressed by the variation of χT vs T, reveals the ferromagnetic interaction in the heart of the triad Cu-U-Cu. The magnetic behaviour of the complexes Cu 2 Th et Cu 2 Zr which does not show any coupling between the two copper (II) ions and the weak antiferromagnetic interaction in the Ni 2 U compound, favour the

  20. DNA complexes with Ni nanoparticles: structural and functional properties

    Energy Technology Data Exchange (ETDEWEB)

    Tatarinova, Olga N.; Smirnov, Igor P. [Research Institute for Physico-Chemical Medicine of the Federal Medical-Biological Agency of the Russian Federation (Russian Federation); Safenkova, Irina V. [A.N. Bach Institute of Biochemistry (Russian Federation); Varizhuk, Anna M.; Pozmogova, Galina E., E-mail: pozmge@gmail.com [Research Institute for Physico-Chemical Medicine of the Federal Medical-Biological Agency of the Russian Federation (Russian Federation)

    2012-10-15

    Supramolecular complexes of biopolymers based on magnetic nanoparticles play an important role in creation of biosensors, implementation of theragnostic and gene therapeutic methods and biosafety evaluation. We investigated the impact of DNA interactions with nanoparticles of nickel (nNi) on the integrity and functionality of DNA. Data obtained by mass spectrometry, electrophoresis, TEM and AFM microscopy techniques, bacterial transformation, and real-time PCR provide evidence that ssDNA and plasmid DNA (pDNA) efficiently form complexes with nNi. AFM data suggest that the complexes are necklace-type structures, in which nanoparticles are randomly distributed along the DNA chains, rather than highly entangled clot-type structures. After desorption, observed DNA characteristics in bioanalytical and biological systems remain unchanged. Only supercoiled pDNA was nicked, but remained, as well as a plasmid-nNi complex, active in expression vector assays. These results are very important for creation of new methods of DNA immobilization and controlled manipulation.

  1. DNA complexes with Ni nanoparticles: structural and functional properties

    International Nuclear Information System (INIS)

    Tatarinova, Olga N.; Smirnov, Igor P.; Safenkova, Irina V.; Varizhuk, Anna M.; Pozmogova, Galina E.

    2012-01-01

    Supramolecular complexes of biopolymers based on magnetic nanoparticles play an important role in creation of biosensors, implementation of theragnostic and gene therapeutic methods and biosafety evaluation. We investigated the impact of DNA interactions with nanoparticles of nickel (nNi) on the integrity and functionality of DNA. Data obtained by mass spectrometry, electrophoresis, TEM and AFM microscopy techniques, bacterial transformation, and real-time PCR provide evidence that ssDNA and plasmid DNA (pDNA) efficiently form complexes with nNi. AFM data suggest that the complexes are necklace-type structures, in which nanoparticles are randomly distributed along the DNA chains, rather than highly entangled clot-type structures. After desorption, observed DNA characteristics in bioanalytical and biological systems remain unchanged. Only supercoiled pDNA was nicked, but remained, as well as a plasmid–nNi complex, active in expression vector assays. These results are very important for creation of new methods of DNA immobilization and controlled manipulation.

  2. First-principles study of thermal expansion and thermomechanics of single-layer black and blue phosphorus

    International Nuclear Information System (INIS)

    Sun, Hongyi; Liu, Gang; Li, Qingfang; Wan, X.G.

    2016-01-01

    The linear thermal expansion coefficients (LTEC) and thermomechanics of single-layer black and blue phosphorus are systematically studied using first-principles based on quasiharmonic approximation. We find the thermal expansion of black phosphorus is very anisotropic. The LTEC along zigzag direction has a turning from negative to positive at around 138 K, while the LTEC along armchair direction is positive (except below 8 K) and about 2.5 times larger than that along zigzag direction at 300 K. For blue phosphorus, the LTEC is negative in the temperature range from 0 to 350 K. In addition, we find that the Young's modulus and Poisson's ratio of black phosphorus along zigzag direction are 4 to 5 times larger than those along armchair direction within considered temperature range, showing a remarkable anisotropic in-plane thermomechanics property. The mechanisms of these peculiar thermal properties are also explored. This work provides a theoretical understanding of the thermal expansion and thermomechanics of this single layer phosphorus family, which will be useful in nanodevices. - Highlights: • The thermal properties of black and blue phosphorus are studied. • Black phosphorus shows remarkable anisotropic thermal expansion and thermomechanics properties. • Blue phosphorus shows novel negative thermal expansion. • The thermal expansion properties are well analyzed by grüneisen theory.

  3. Development of ultrafine ferritic sheaves/plates in SAE 52100 steel for enhancement of strength by controlled thermomechanical processing

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, J. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology, Kharagpur, W.B. 721 302 (India); Scientific Services and Research and Development, Tata Steel, Jamshedpur 831 001, Jharkhand (India); Manna, I., E-mail: imanna@metal.iitkgp.ernet.in [Department of Metallurgical and Materials Engineering, Indian Institute of Technology, Kharagpur, W.B. 721 302 (India); Central Glass and Ceramic Research Institute (CGCRI), Council of Scientific and Industrial Research (CSIR), 196 Raja S C Mullick Road, Jadavpur, Kolkata 700032 (India)

    2012-06-30

    Highlights: Black-Right-Pointing-Pointer Ultrafine bainite + martensite duplex microstructure developed in SAE 52100 steel. Black-Right-Pointing-Pointer Thermomechanical processing modifies size + morphology of bainitic ferrite. Black-Right-Pointing-Pointer Processing involves hot deformation prior to/during/after austenitizing. Black-Right-Pointing-Pointer Significant improvement in mechanical strength achieved. Black-Right-Pointing-Pointer Similar study on high carbon, low alloy steel not reported in the literature. - Abstract: The present study attempts to tailor the size, morphology and distribution of the ferrite needles/sheaves by thermomechanical processing and develop an ultrafine ferrite + martensite duplex microstructure for enhancement of strength and toughness in SAE 52100 steel. The thermo-mechanical routine included 5% hot deformation before, during or after austenitizing at 950 Degree-Sign C for 15 min followed by austempering at 270 Degree-Sign C for 30 min and subsequent water quenching to room temperature. Optical/electron microscopy along with X-ray diffraction was used to quantitatively monitor the size, morphology and distribution of the phase or phase aggregate. Significant improvement in nanohardness, wear resistance and elastic modulus and was observed in samples subjected to thermomechanical processing, as compared to that following the same austenitizing and austempering routine without hot deformation at any stage. However, improvement in the bulk mechanical property due to the present thermo-mechanical is lower than that obtained in our earlier study comprising cold deformation prior to austenitizing and austempering.

  4. Complexing properties of amide oxime of picolinic acid (APA). 1

    International Nuclear Information System (INIS)

    Oginski, M.; Zommer-Urbanska, S.; Joachimiak, J.; Koniarek, B.

    1983-01-01

    As a result of APA labelling with /sup 99m/Tc reduced by SnCl 2 at pH 1.9 about 90% of the /sup 99m/Tc-APA complex was obtained. Experiments in vivo were carried out on 10 Swiss mice with implanted Ehrlich tumor. After 8 days the /sup 99m/Tc-APA complex was administered i.p. The ADF ratio tumor:blood was 2.5. Renoscintigraphy showed that the decline of renal activity in the stage when excretion prevailed (phase III) was slow and of the cumulative nature. Simple synthesis, labelling and low toxity of APA are the factors that advocate further experiments in investigating its usefulness for diagnostics. (author)

  5. Allenylidene Complexes of Ruthenium: Synthesis, Spectroscopy and Electron Transfer Properties

    Czech Academy of Sciences Publication Activity Database

    Winter, R. F.; Záliš, Stanislav

    2004-01-01

    Roč. 248, 15/16 (2004), s. 1565-1583 ISSN 0010-8545 R&D Projects: GA ČR GA203/03/0821; GA MŠk OC D14.20 Institutional research plan: CEZ:AV0Z4040901 Keywords : spectroscopy * allenylidine complexes of ruthenium * electron transfer Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.446, year: 2004

  6. Complex yet translucent: the optical properties of sea ice

    International Nuclear Information System (INIS)

    Perovich, Donald K.

    2003-01-01

    Sea ice is a naturally occurring material with an intricate and highly variable structure consisting of ice platelets, brine pockets, air bubbles, and precipitated salt crystals. The optical properties of sea ice are directly dependent on this ice structure. Because sea ice is a material that exists at its salinity determined freezing point, its structure and optical properties are significantly affected by small changes in temperature. Understanding the interaction of sunlight with sea ice is important to a diverse array of scientific problems, including those in polar climatology. A key optical parameter for climatological studies is the albedo, the fraction of the incident sunlight that is reflected. The albedo of sea ice is quite sensitive to surface conditions. The presence of a snow cover enhances the albedo, while surface meltwater reduces the albedo. Radiative transfer in sea ice is a combination of absorption and scattering. Differences in the magnitude of sea ice optical properties are ascribable primarily to differences in scattering, while spectral variations are mainly a result of absorption. Physical changes that enhance scattering, such as the formation of air bubbles due to brine drainage, result in more light reflection and less transmission

  7. Thermomechanical characterization of thiol-epoxy shape memory thermosets for mechanical actuators design

    Science.gov (United States)

    Belmonte, Alberto; Fernández-Francos, Xavier; De la Flor, Silvia

    2018-02-01

    In this paper, shape-memory "thiol-epoxy" polymers are synthesized and characterized as potential thermomechanical actuators. Their thermomechanical properties are investigated through dynamo mechanical and tensile analyses and related to their network structural properties by using "thiol" and "epoxy" compounds of different functionality and structure. Their mechanical properties (resistance at break, elongation limits and strain energy) are related to their shape-memory response under free-recovery conditions and partially-constrained conditions, thus, establishing the connection between network relaxation (free-recovery) with the work output capabilities (partially-constrained). Results show high mechanical performance, achieving high elongation at break values (up to 100%) and stress at break values (up to 50 MPa). The shape-memory experiments reveal strong dependence of the programming conditions and network structure on the recovery efficiency at free-conditions, whereas under partially-constrained conditions, the controlling factors are the mechanical limits at high temperature. Moreover, some recommendations to achieve the maximum work output efficiency for a given operational design of a thermomechanical actuator are deduced.

  8. Computer modeling of properties of complex molecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Kulkova, E.Yu. [Moscow State University of Technology “STANKIN”, Vadkovsky per., 1, Moscow 101472 (Russian Federation); Khrenova, M.G.; Polyakov, I.V. [Lomonosov Moscow State University, Chemistry Department, Leninskie Gory 1/3, Moscow 119991 (Russian Federation); Nemukhin, A.V. [Lomonosov Moscow State University, Chemistry Department, Leninskie Gory 1/3, Moscow 119991 (Russian Federation); N.M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Kosygina 4, Moscow 119334 (Russian Federation)

    2015-03-10

    Large molecular aggregates present important examples of strongly nonhomogeneous systems. We apply combined quantum mechanics / molecular mechanics approaches that assume treatment of a part of the system by quantum-based methods and the rest of the system with conventional force fields. Herein we illustrate these computational approaches by two different examples: (1) large-scale molecular systems mimicking natural photosynthetic centers, and (2) components of prospective solar cells containing titan dioxide and organic dye molecules. We demonstrate that modern computational tools are capable to predict structures and spectra of such complex molecular aggregates.

  9. Novel polymeric potassium complex: Its synthesis, structural characterization, photoluminescence and electrochemical properties

    Energy Technology Data Exchange (ETDEWEB)

    Ceyhan, Goekhan [Chemistry Department, K.Maras Suetcue Imam University, 46100 K.Maras (Turkey); Tuemer, Mehmet, E-mail: mtumer@ksu.edu.tr [Chemistry Department, K.Maras Suetcue Imam University, 46100 K.Maras (Turkey); Koese, Muhammet; McKee, Vickie [Chemistry Department, Loughborough University, LE11 3TU Leicestershire (United Kingdom)

    2012-03-15

    In this paper, we obtained a novel poly(vanillinato potassium) complex (PVP) as a single crystal and characterized by analytical and spectroscopic methods. A single crystal of the PVP was obtained from the acetone solution. X-ray structural data show that crystals contain polymeric K{sup +} complex of vanillin. Each potassium ion in the polymeric structure is identical and seven-coordinate, bonded to two methoxy, two phenoxy and three aldehyde oxygen atoms from four vaniline molecules. Two aldehyde oxygen atoms are bridging between potassium ions. It crystallizes in the monoclinic system, space group P2{sub 1}/c, with lattice parameters a=9.6215(10) A, b=17.4139(19) A, c=9.6119(10) A, {beta}=100.457(2) Degree-Sign and Z=4. Thermal properties of the PVP were investigated by TGA, DTA and DSC methods. The electrochemical properties of the complex were studied in different solvents and at various scan rates. The luminescence properties of the complex in different solvents and at different pH values have been investigated. The results show that the complex exhibits more efficient luminescence property in CH{sub 3}CN and n-butanol. - Highlights: Black-Right-Pointing-Pointer Novel polymeric potassium complex was prepared and fully characterized. Black-Right-Pointing-Pointer X-ray crystal structure of complex was reported. Black-Right-Pointing-Pointer Electrochemical properties of compound were investigated. Black-Right-Pointing-Pointer Thermal and DSC measurements of complex were examined.

  10. Theoretical approach to the WWER core thermomechanical modelling

    International Nuclear Information System (INIS)

    Likhatchev, Y.; Troyanov, V.; Folomeev, V.; Demishonkov, A.

    2003-01-01

    The paper presents studies on the analysis of root causes of fuel assembly bowing under operating conditions; developing of a methodology for fuel assemblies thermomechanical simulation; developing of a calculation technique for thermomechanical modelling of the fuel assemblies bowing in operational conditions. Some examples of calculation results are given

  11. Enhancing the ABAQUS Thermomechanics Code to Simulate Multidimensional Steady and Transient Fuel Rod Behavior

    Energy Technology Data Exchange (ETDEWEB)

    Williamson, R.L.; Knoll, D.A. [Idaho National Laboratory, PO Box 1625, Idaho Falls, ID 83415-3855 (United States)

    2009-06-15

    isotropic and anisotropic elasticity, thermal expansion, plasticity, and thermal creep. Due to its commercial nature and widespread use, ABAQUS includes powerful pre- and post-processing software, facilitating efficient problem setup and rapid interpretation of results. The code undergoes extensive and well-documented verification and validation procedures, reducing the risk of coding errors leading to invalid results. Essential for the intended application, ABAQUS includes a user interface permitting the inclusion of user-developed models to simulate fuel-specific phenomena. This powerful interface makes it possible to define any constitutive model of arbitrary complexity. Focusing initially on UO{sub 2} fuel, user subroutines have been developed and tested to describe temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, and fission gas release. Assuming Zircaloy as the clad material, models have been included for both thermal and irradiation creep. A subroutine has been developed to model the complex heat exchange across the fuel-clad gap. This model accounts for the temperature, pressure, and species-dependent gap gas thermal conductivity, the changing gap width, the roughness of both the fuel and clad, jump distances, contact pressure, and the cladding hardness. Gap heat transfer is tightly coupled to the fission gas model and the basic mechanics. Field variables are defined at each integration point to track fuel specific phenomena such as burnup, fission gas produced, and fission gas released. Fuels modeling capability is demonstrated using a 2D axisymmetric analysis of a rod section including two individual pellets, the associated cladding, the gas-filled gap, and an upper plenum region. The plenum and gap gas are modeled as a 'hydro' cavity in ABAQUS with the cavity volume dictated by the evolving solid mechanics, the gas mass and species mixture, and the gas state computed assuming ideal gas behavior. A simple

  12. Surface and permeability properties of membranes from polyelectrolyte complexes and polyelectrolyte surfactant complexes

    Czech Academy of Sciences Publication Activity Database

    Schwarz, H. H.; Lukáš, Jaromír; Richau, K.

    2003-01-01

    Roč. 218, 1-2 (2003), s. 1-9 ISSN 0376-7388 R&D Projects: GA AV ČR KSK4050111 Keywords : polyelectrolyte complex membranes * pervaporation * dehydration of organics Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.081, year: 2003

  13. Atmospheric stability and topography effects on wind turbine performance and wake properties in complex terrain

    DEFF Research Database (Denmark)

    Han, Xingxing; Liu, Deyou; Xu, Chang

    2018-01-01

    This paper evaluates the influence of atmospheric stability and topography on wind turbine performance and wake properties in complex terrain. To assess atmospheric stability effects on wind turbine performance, an equivalent wind speed calculated with the power output and the manufacture power...... and topography have significant influences on wind turbine performance and wake properties. Considering effects of atmospheric stability and topography will benefit the wind resource assessment in complex terrain....

  14. Topological properties of complex networks in protein structures

    Science.gov (United States)

    Kim, Kyungsik; Jung, Jae-Won; Min, Seungsik

    2014-03-01

    We study topological properties of networks in structural classification of proteins. We model the native-state protein structure as a network made of its constituent amino-acids and their interactions. We treat four structural classes of proteins composed predominantly of α helices and β sheets and consider several proteins from each of these classes whose sizes range from amino acids of the Protein Data Bank. Particularly, we simulate and analyze the network metrics such as the mean degree, the probability distribution of degree, the clustering coefficient, the characteristic path length, the local efficiency, and the cost. This work was supported by the KMAR and DP under Grant WISE project (153-3100-3133-302-350).

  15. Complex forming properties of natural occurring fulvic acids

    International Nuclear Information System (INIS)

    Marinsky, J.A.; Mathuthu, A.; Bicking, M.; Ephraim, J.

    1985-07-01

    The experimental program developed in our earlier investigations of the protonation equilibria encountered with Armadale Horizons Bh and Suwannee River fulvic-acid has been employed in the present investigation of a Swedish fulvic acid source. Complications introduced by the polyelectrolyte nature and the degree of heterogeneity in the functional unit content of this natural organic acid molecule have been resolved as they were with the previous fulvic acid samples. The physical chemical properties of this fulvic acid have been compared with those resolved for the Armadale Horizons Bh and the Suwannee River fulvic acid as well. The insight gained from these protonation studies and metal ion binding studies, also carried out in the course of this investigation, has led to the development of a model for interpretation of the binding of metal ions to fulvic acid at any fulvic acid concentration level. With 12 refs. (Author)

  16. Acid-base properties of complexes with three-dimensional polyligands. Complexes with three-dimensional polyphosphoric acids

    International Nuclear Information System (INIS)

    Kopylova, V.D.; Bojko, Eh.T.; Saldadze, K.M.

    1985-01-01

    By the method of potentiometric titration acid-base properties of uranyl (2) complexes with three-dimensional polyphosphoric acids, KRF-8p, KF-1, KF-7 prepared by phosphorylation of copolymer of styrene and divinylbenzene or saponification of the copolymers of di-2,2'-chloroethyl ester of vinylphosphonic acid with divinyl benzene are studied. It is shown that in case of formation in the phase of three-dimensional polyphosphoric acids of UO 2 2+ complexes with the growth of bond covalence of metal ion-phosphonic group the acidjty of the second hydroxyl of the phosphonic group increases

  17. Thermo-mechanical behavior of power electronic packaging assemblies: From characterization to predictive simulation of lifetimes

    Science.gov (United States)

    Dalverny, O.; Alexis, J.

    2018-02-01

    This article deals with thermo-mechanical behavior of power electronic modules used in several transportation applications as railway, aeronautic or automotive systems. Due to a multi-layered structures, involving different materials with a large variation of coefficient of thermal expansion, temperature variations originated from active or passive cycling (respectively from die dissipation or environmental constraint) induces strain and stresses field variations, giving fatigue phenomenon of the system. The analysis of the behavior of these systems and their dimensioning require the implementation of complex modeling strategies by both the multi-physical and the multi-scale character of the power modules. In this paper we present some solutions for studying the thermomechanical behavior of brazed assemblies as well as taking into account the interfaces represented by the numerous metallizations involved in the process assembly.

  18. Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Youping

    2017-10-10

    This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such as showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.

  19. Photoluminescent properties of complex metal oxide nanopowders for gas sensing

    Science.gov (United States)

    Bovhyra, R. V.; Mudry, S. I.; Popovych, D. I.; Savka, S. S.; Serednytski, A. S.; Venhryn, Yu. I.

    2018-03-01

    This work carried out research on the features of photoluminescence of the mixed and complex metal oxide nanopowders (ZnO/TiO2, ZnO/SnO2, Zn2SiO4) in vacuum and gaseous ambient. The nanopowders were obtained using pulsed laser reactive technology. The synthesized nanoparticles were characterized by X-ray diffractometry, energy-dispersive X-ray analysis, and scanning and transmission electron microscopy analysis for their sizes, shapes and collocation. The influence of gas environment on the photoluminescence intensity was investigated. A change of ambient gas composition leads to a rather significant change in the intensity of the photoluminescence spectrum and its deformation. The most significant changes in the photoluminescent spectrum were observed for mixed ZnO/TiO2 nanopowders. This obviously is the result of a redistribution of existing centers of luminescence and the appearance of new adsorption centers of luminescence on the surface of nanopowders. The investigated nanopowders can be effectively used as sensing materials for the construction of the multi-component photoluminescent sensing matrix.

  20. Thermal properties of composite materials with a complex fractal structure

    International Nuclear Information System (INIS)

    Cervantes-Álvarez, F; Reyes-Salgado, J J; Dossetti, V; Carrillo, J L

    2014-01-01

    In this work, we report the thermal characterization of platelike composite samples made of polyester resin and magnetite inclusions. By means of photoacoustic spectroscopy and thermal relaxation, the thermal diffusivity, conductivity and volumetric heat capacity of the samples were experimentally measured. The volume fraction of the inclusions was systematically varied in order to study the changes in the effective thermal conductivity of the composites. For some samples, a static magnetic field was applied during the polymerization process, resulting in anisotropic inclusion distributions. Our results show a decrease in the thermal conductivity of some of the anisotropic samples, compared to the isotropic randomly distributed ones. Our analysis indicates that the development of elongated inclusion structures leads to the formation of magnetite and resin domains, causing this effect. We correlate the complexity of the inclusion structure with the observed thermal response through a multifractal and lacunarity analysis. All the experimental data are contrasted with the well known Maxwell–Garnett effective media approximation for composite materials. (paper)

  1. Assessment of thermo-mechanical behavior in CLAM steel first wall structures

    International Nuclear Information System (INIS)

    Liu Fubin; Yao Man

    2012-01-01

    Highlights: ► China Low Activation Martensitic steel (CLAM) as FW the structural material. ► The thermo-mechanical behavior of the FW was analyzed under the condition of normal ITER operation combined effect of plasma heat flux and neutron heating. ► The temperature dependence of the material physical properties of CLAM is summarized. - Abstract: The temperature and strain distributions of the mockup with distinct structural material (SS316L or China Low Activation Martensitic steel (CLAM)) in two-dimensional model were calculated and analyzed, based on a high heat flux (HHF) test recently reported with heat flux of 3.2 MW/m 2 . The calculated temperature and strain results in the first wall (FW), in which SS316L is as the structural material, showed good agreement with HHF test. By substituting CLAM steel for SS316L the contrast analysis indicates that the thermo-mechanical property for CLAM steel is better than that of SS316 at the same condition. Furthermore, the thermo-mechanical behavior of the FW was analyzed under the condition of normal ITER operation combined effect of plasma heat flux and neutron heating.

  2. Assessment of thermo-mechanical behavior in CLAM steel first wall structures

    Energy Technology Data Exchange (ETDEWEB)

    Liu Fubin, E-mail: liufubin_1216@126.com [School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, Liaoning (China); Yao Man, E-mail: yaoman@dlut.edu.cn [School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, Liaoning (China)

    2012-01-15

    Highlights: Black-Right-Pointing-Pointer China Low Activation Martensitic steel (CLAM) as FW the structural material. Black-Right-Pointing-Pointer The thermo-mechanical behavior of the FW was analyzed under the condition of normal ITER operation combined effect of plasma heat flux and neutron heating. Black-Right-Pointing-Pointer The temperature dependence of the material physical properties of CLAM is summarized. - Abstract: The temperature and strain distributions of the mockup with distinct structural material (SS316L or China Low Activation Martensitic steel (CLAM)) in two-dimensional model were calculated and analyzed, based on a high heat flux (HHF) test recently reported with heat flux of 3.2 MW/m{sup 2}. The calculated temperature and strain results in the first wall (FW), in which SS316L is as the structural material, showed good agreement with HHF test. By substituting CLAM steel for SS316L the contrast analysis indicates that the thermo-mechanical property for CLAM steel is better than that of SS316 at the same condition. Furthermore, the thermo-mechanical behavior of the FW was analyzed under the condition of normal ITER operation combined effect of plasma heat flux and neutron heating.

  3. Synthesis, characterization and luminescent properties of lanthanide complexes with an unsymmetrical tripodal ligand

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhenzhong [State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Tang Yu [State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China)], E-mail: tangyu@lzu.edu.cn; Liu Weisheng; Tan Minyu [State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China)

    2008-09-15

    Solid complexes of lanthanide nitrates with a new unsymmetrical tripodal ligand, bis[(2'-benzylaminoformyl)phenoxyl)ethyl](ethyl)amine (L) have been synthesized and characterized by elemental analysis, infrared spectra and molar conductivity measurements. At the same time, the luminescent properties of the Sm(III), Eu(III), Tb(III) and Dy(III) nitrate complexes in solid state were also investigated. Under the excitation of UV light, these complexes exhibited characteristic emission of central metal ions.

  4. Thermo-mechanical characterization of ceramic pebbles for breeding blanket

    Energy Technology Data Exchange (ETDEWEB)

    Lo Frano, Rosa, E-mail: rosa.lofrano@ing.unipi.it; Aquaro, Donato; Scaletti, Luca

    2016-11-01

    Highlights: • Experimental activities to characterize the Li{sub 4}SiO{sub 4}. • Compression tests of pebbles. • Experimental evaluation of thermal conductivity of pebbles bed at different temperatures. • Experimental test with/without compression load. - Abstract: An open issue for fusion power reactor is to design a suitable breeding blanket capable to produce the necessary quantity of the tritium and to transfer the energy of the nuclear fusion reaction to the coolant. The envisaged solution called Helium-Cooled Pebble Bed (HCPB) breeding blanket foresees the use of lithium orthosilicate (Li{sub 4}SiO{sub 4}) or lithium metatitanate (Li{sub 2}TiO{sub 3}) pebble beds. The thermal mechanical properties of the candidate pebble bed materials are presently extensively investigated because they are critical for the feasibility and performances of the numerous conceptual designs which use a solid breeder. This study is aimed at the investigation of mechanical properties of the lithium orthosilicate and at the characterization of the main chemical, physical and thermo-mechanical properties taking into account the production technology. In doing that at the Department of Civil and Industrial Engineering (DICI) of the University of Pisa adequate experiments were carried out. The obtained results may contribute to characterize the material of the pebbles and to optimize the design of the envisaged fusion breeding blankets.

  5. Nano-Ag complexes prepared by γ-radiolysis and their structures and physical properties

    International Nuclear Information System (INIS)

    Kim, Hwa-Jung; Choi, Seong-Ho; Park, Hae-Jun

    2012-01-01

    In this study, nano-silver (nano-Ag) complexes showing different properties have been synthesized as follows. Polypyrrolidone (PVP)-stabilized silver colloids (NAg), nano-Ag bound to silica (SiO 2 ) (NSS), and nano-Ag bound to a complex of SiO 2 and polyaniline (PANI) (NSSPAI) were prepared via γ-irradiation at room temperature. NAg and NSS used PVP as a colloidal stabilizer, while NSSPAI did not use PVP as a colloidal stabilizer. Interesting bonding properties occurred in the nano-Ag complex and anticipated structural changes were clearly shown through a surface analysis of x-ray photoelectron spectroscopy (XPS). The morphologies by field emission-scanning electron microscopy (FE-SEM) analysis showed that nano-Ag complexes have various particle sizes ranging from 10 to 30 nm. NSS (average, 10 nm) and NSSPAI (average, 30 nm) showed a uniformly spherical shape and size, while NAg did not. From the reflection peaks in the x-ray diffraction (XRD) patterns, surface crystallinity of the nano-Ag complexes was indicated to be in the same degree as that of NSSPAI>NSS>NAg. Also, in the contact angle (CA) determination, surface hydrophobicity of NSSPAI was stronger than those of NSS and NAg, relatively. The different nano-Ag complexes prepared by γ-irradiation can be applicable in various industry fields due to the increase in specific property. - Highlights: ► Nano-Ag complexes showing different properties have been synthesized via γ-irradiation. ► Nano-Ag colloid (NAg), nano-Ag bound to SiO 2 (NSS), nano-Ag bound to SiO 2 and PANI complex (NSSPAI). ► Nano-Ag complexes were the same based on Ag metal. ► Results clearly showed fascinating/different physical properties. ► Different nano-Ag complexes can be applicable in various industry fields.

  6. Thermo-mechanical behavior of retro-reflector and resulting parallelism error of laser beams for Wendelstein 7-X interferometer

    Energy Technology Data Exchange (ETDEWEB)

    Peng, X.B., E-mail: pengxb@ipp.ac.cn [Institute of Plasma Physics, Chinese Academy of Sciences, P.O. Box 1126, 230031 Hefei Anhui (China); Max Planck Institute for Plasma Physics, EURATOM Association, Wendelsteinstr. 1, 17491 Greifswald (Germany); Hirsch, M.; Köppen, M.; Fellinger, J.; Bykov, V.; Schauer, F. [Max Planck Institute for Plasma Physics, EURATOM Association, Wendelsteinstr. 1, 17491 Greifswald (Germany); Vliegenthart, W. [TNO, Stieltjesweg 1, P.O. Box 2600, 2628 CK Delft (Netherlands)

    2014-04-15

    Highlights: • The criterion for thermo-mechanical design of W7-X interferometer retro-reflector. • Thermo-mechanical analysis of retro-reflector with two different methods. • The most flexible part in the retro-reflector is spring washer. • Calculation of parallelism error between the incoming and reflected laser beams. • The parallelism error is much lower than the design limit 28 arcs. - Abstract: A 10 channels interferometer will be used in the Wendelstein 7-X (W7-X) for plasma density control and density profile tracking with laser beams passing through the plasma. Due to complex shape of non-planar modular coils and divertor structure, there are no large poloidally opposite ports on the plasma vessel (PV). Therefore 10 in-vessel Corner Cube Retro-reflectors (CCRs) will be used. The CCRs are integrated in the water cooled heat shield and exposed directly to thermal loads from plasma radiation. Thermo-mechanical issues are very important for the design of the CCR because deformation and flatness as well as mutual angles of the three reflecting surfaces would affect the parallelism of the laser beams and the functionality of the interferometer. Intensive work has been done to explore a suitable design for the CCR concerning thermo-mechanical behavior. Previous studies Ye et al. (2008, 2009) and Köppen et al. (2011) focused on structural optimization to decrease thermal stress in the reflecting plates under the thermal loads, and on computation and check of curvature radii of the deformed reflecting surfaces with the design criterion that the curvature radius must be bigger than 200 m. The paper presents detailed thermo-mechanical analysis of the current improved CCR under thermal loads and bolt preloads. The results of the thermo-mechanical analysis were used for the study of the resulting parallelism error of the laser beams with newly developed and more reasonable design criterion.

  7. Thermo-mechanical behavior of retro-reflector and resulting parallelism error of laser beams for Wendelstein 7-X interferometer

    International Nuclear Information System (INIS)

    Peng, X.B.; Hirsch, M.; Köppen, M.; Fellinger, J.; Bykov, V.; Schauer, F.; Vliegenthart, W.

    2014-01-01

    Highlights: • The criterion for thermo-mechanical design of W7-X interferometer retro-reflector. • Thermo-mechanical analysis of retro-reflector with two different methods. • The most flexible part in the retro-reflector is spring washer. • Calculation of parallelism error between the incoming and reflected laser beams. • The parallelism error is much lower than the design limit 28 arcs. - Abstract: A 10 channels interferometer will be used in the Wendelstein 7-X (W7-X) for plasma density control and density profile tracking with laser beams passing through the plasma. Due to complex shape of non-planar modular coils and divertor structure, there are no large poloidally opposite ports on the plasma vessel (PV). Therefore 10 in-vessel Corner Cube Retro-reflectors (CCRs) will be used. The CCRs are integrated in the water cooled heat shield and exposed directly to thermal loads from plasma radiation. Thermo-mechanical issues are very important for the design of the CCR because deformation and flatness as well as mutual angles of the three reflecting surfaces would affect the parallelism of the laser beams and the functionality of the interferometer. Intensive work has been done to explore a suitable design for the CCR concerning thermo-mechanical behavior. Previous studies Ye et al. (2008, 2009) and Köppen et al. (2011) focused on structural optimization to decrease thermal stress in the reflecting plates under the thermal loads, and on computation and check of curvature radii of the deformed reflecting surfaces with the design criterion that the curvature radius must be bigger than 200 m. The paper presents detailed thermo-mechanical analysis of the current improved CCR under thermal loads and bolt preloads. The results of the thermo-mechanical analysis were used for the study of the resulting parallelism error of the laser beams with newly developed and more reasonable design criterion

  8. Thermomechanical interactions of particle bed-structural wall in a layered configuration. Pt. 1. Effect of particle bed thermal expansions

    International Nuclear Information System (INIS)

    Tehranian, F.

    1995-01-01

    Materials in the form of particle beds have been considered for shielding and tritium breeding as well as neutron multiplication in many of the conceptual reactor design studies. As the level of effort of the fusion blanket community in the area of out-of-pile and in-pile (ITER) testing of integrated test modules increases, so does the need for modelling capability for predicting the thermomechanical responses of the test modules under reactor environment.In this study, the thermomechanical responses of a particle bed-structural wall system in a layered configuration, subjected to bed temperature rise and/or external coolant pressure, were considered. Equations were derived which represent the dependence of the particle-to-particle and particle-to-wall contact forces and areas on the structural wall deformations and in turn on the thermomechanical loads. Using the derived equations, parametric analyses were performed to study the variations in the thermomechanical response quantities of a beryllium particle bed-stainless steel structural wall when subjected to thermomechanical loads. The results are presented in two parts. In Part I, presented in this paper, the derivation of the analytical equations and the effects of bed temperature rise are discussed. In Part II of this study, also presented in this symposium, the effects of external coolant pressure as well as the combined effects of bed temperature rise and coolant pressure on the thermomechanical responses are given.It is shown that, depending on the stiffness of the structural walls, uniform bed temperature rises in the range 100-400 C result in non-uniform effective thermal properties through the prticle bed and could increase the bed effective thermal conductivity by a factor of 2-5 and the bed-wall interface thermal conductance by even a larger factor. (orig.)

  9. Range of engineering-geological properties for some carbonate rock complexes for Balkan peninsula

    International Nuclear Information System (INIS)

    Jovanovski, Milorad; Shpago, Azra; Peshevski, Igor

    2010-01-01

    The Carbonate Rock masses are a geological media with extremely complex states and properties, which has a certain influences on the mechanical and hydraulic behavior during construction and exploitation of engineering structures. Practical aspects of the problem analysis arise from the fact that the areas of Bosnia and Herzegovina, Macedonia and the entire Balkans is characterized by presence of wide areas covered with carbonate complexes, where large number of complex engineering structures have been, or shall be constructed in the future. In this context, their engineering-geological modeling is still a practical and scientific challenge. The analysis of engineering- geological properties is one of the main steps in forming of analytical and geotechnical models for complex rock structures. This article gives a data about the range for these properties, according to the results from an extensive investigation program. Some original correlations and testing results are given and they are compared with some published relations from the world. (Author)

  10. The practice of reflection in the russian goodwill when buying enterprises as a property complex

    Directory of Open Access Journals (Sweden)

    O. A. Ovchinnikova

    2016-01-01

    Full Text Available When buying enterprises as a property complex, firm-the buyer can pay for it as excess cost of the acquired entity on its balance sheet, and an amount less than the value of the assets on the balance sheet of the acquiree. Based on the requirements of the Russian legislation, in the account of the buyer acquires an intangible asset that distinguishes the Russian from the international practice. International financial reporting standards do not recognize goodwill an intangible asset of the buyer enterprise. Therefore, it is necessary to specify the Russian practice of accounting transactions in the purchase of enterprises as property complex. The article presents a definition of the property complex, based on the requirements of the Civil Code of the Russian Federation, highlighted the stages of transfer of the property complex of the specified accounting documents that must be decorated, the analysis of the approaches of domestic and foreign authors to the recognition and measurement of goodwill, studied the specificity of the requirements of the Russian normative-legislative acts to the category “goodwill”, “intangible asset”. Based on the requirements of the Russian legislation, a positive goodwill is recognized in intangible asset (goodwill, in contrast to the negative goodwill (badwill, which immediately applies on other income of the organisation – the buyer of the enterprise – a property complex. On the positive business reputation, then the requirements of the Russian legislation, a positive goodwill is recognized intangible asset. In this paper, the authors proposed a model accounting for the purchase of enterprise as property complex as a result of which the acquisition price of an enterprise as a property complex exceeds its carrying amount of the assessment, therefore, in accounting, the buyer acquires an intangible asset in the form of a positive business reputation, compiled and substantiated recommended to reflect this

  11. Thermo-mechanical finite element analyses of bolted cask lid structures

    International Nuclear Information System (INIS)

    Wieser, G.; Qiao Linan; Eberle, A.; Voelzke, H.

    2004-01-01

    The analysis of complex bolted cask lid structures under mechanical or thermal accident conditions is important for the evaluation of cask integrity and leak-tightness in package design assessment according to the Transport Regulations or in aircraft crash scenarios. In this context BAM is developing methods based on Finite Elements to calculate the effects of mechanical impacts onto the bolted lid structures as well as effects caused by severe fire scenarios. I n case of fire it might be not enough to perform only a thermal heat transfer analysis. The complex cask design in connection with a severe hypothetical time-temperature-curve representing an accident fire scenario will create a strong transient heating up of the cask body and its lid system. This causes relative displacements between the seals and its counterparts that can be analyzed by a so-called thermo-mechanical calculation. Although it is currently not possible to correlate leakage rates with results from deformation analyses directly an appropriate Finite Element model of the considered type of metallic lid seal has been developed. For the present it is possible to estimate the behaviour of the seal based on the calculated relative displacements at its seating and the behaviour of the lid bolts under the impact load or the temperature field respectively. Except of the lid bolts the geometry of the cask and the mechanical loading is axial-symmetric which simplifies the analysis considerably and a two-dimensional Finite Element model with substitute lid bolts may be used. The substitute bolts are modelled as one-dimensional truss or beam elements. An advanced two-dimensional bolt submodel represents the bolts with plane stress continuum elements. This paper discusses the influence of different bolt modelling on the relative displacements at the seating of the seals. Besides this, the influence of bolt modelling, thermal properties and detail in geometry of the two-dimensional Finite Element models on

  12. Synthesis, Physicochemical Properties, and Antimicrobial Studies of Iron (III Complexes of Ciprofloxacin, Cloxacillin, and Amoxicillin

    Directory of Open Access Journals (Sweden)

    Fabian I. Eze

    2014-01-01

    Full Text Available Iron (III complexes of ciprofloxacin, amoxicillin, and cloxacillin were synthesized and their aqueous solubility profiles, relative stabilities, and antimicrobial properties were evaluated. The complexes showed improved aqueous solubility when compared to the corresponding ligands. Relative thermal and acid stabilities were determined spectrophotometrically and the results showed that the complexes have enhanced thermal and acid stabilities when compared to the pure ligands. Antimicrobial studies showed that the complexes have decreased activities against most of the tested microorganisms. Ciprofloxacin complex, however, showed almost the same activity as the corresponding ligand. Job’s method of continuous variation suggested 1 : 2 metals to ligand stoichiometry for ciprofloxacin complex but 1 : 1 for cloxacillin complex.

  13. Six-Coordinate Ln(III Complexes with Various Coordination Geometries Showing Distinct Magnetic Properties

    Directory of Open Access Journals (Sweden)

    Mei Guo

    2018-01-01

    Full Text Available The syntheses, structural characterization, and magnetic properties of three lanthanide complexes with formulas [Ln(L13] (Ln = Dy (1Dy; Er (1Er; and [Dy(L22] (2Dy were reported. Complexes 1Dy and 1Er are isostructural with the metal ion in distorted trigonal-prismatic coordination geometry, but exhibit distinct magnetic properties due to the different shapes of electron density for DyIII (oblate and ErIII (prolate ions. Complex 1Dy shows obvious SMM behavior under a zero direct current (dc field with an effective energy barrier of 31.4 K, while complex 1Er only features SMM behavior under a 400 Oe external field with an effective energy barrier of 23.96 K. In stark contrast, complex 2Dy with the octahedral geometry only exhibits the frequency dependence of alternating current (ac susceptibility signals without χ″ peaks under a zero dc field.

  14. Thermo-mechanical ratcheting in jointed rock masses

    KAUST Repository

    Pasten, C.; Garcí a, M.; Santamarina, Carlos

    2015-01-01

    Thermo-mechanical coupling takes place in jointed rock masses subjected to large thermal oscillations. Examples range from exposed surfaces under daily and seasonal thermal fluctuations to subsurface rock masses affected by engineered systems such as geothermal operations. Experimental, numerical and analytical results show that thermo-mechanical coupling can lead to wedging and ratcheting mechanisms that result in deformation accumulation when the rock mass is subjected to a biased static-force condition. Analytical and numerical models help in identifying the parameter domain where thermo-mechanical ratcheting can take place.

  15. Thermo-mechanical ratcheting in jointed rock masses

    KAUST Repository

    Pasten, C.

    2015-09-01

    Thermo-mechanical coupling takes place in jointed rock masses subjected to large thermal oscillations. Examples range from exposed surfaces under daily and seasonal thermal fluctuations to subsurface rock masses affected by engineered systems such as geothermal operations. Experimental, numerical and analytical results show that thermo-mechanical coupling can lead to wedging and ratcheting mechanisms that result in deformation accumulation when the rock mass is subjected to a biased static-force condition. Analytical and numerical models help in identifying the parameter domain where thermo-mechanical ratcheting can take place.

  16. Theoretical Rationalization of the Emission Properties of Prototypical Cu(I)-Phenanthroline Complexes.

    Science.gov (United States)

    Capano, G; Rothlisberger, U; Tavernelli, I; Penfold, T J

    2015-07-09

    The excited state properties of transition metal complexes have become a central focus of research owing to a wide range of possible applications that seek to exploit their luminescence properties. Herein, we use density functional theory (DFT), time-dependent DFT (TDDFT), classical and quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations to provide a full understanding on the role of the geometric and electronic structure, spin-orbit coupling, singlet-triplet gap and the solvent environment on the emission properties of nine prototypical copper(I)-phenanthroline complexes. Our calculations reveal clear trends in the electronic properties that are strongly correlated to the luminescence properties, allowing us to rationalize the role of specific structural modifications. The MD simulations show, in agreement with recent experimental observations, that the lifetime shortening of the excited triplet state in donor solvents (acetonitrile) is not due to the formation of an exciplex. Instead, the solute-solvent interaction is transient and arises from solvent structures that are similar to the ones already present in the ground state. These results based on a subset of the prototypical mononuclear Cu(I) complexes shed general insight into these complexes that may be exploited for development of mononuclear Cu(I) complexes for applications as, for example, emitters in third generation OLEDs.

  17. Instrumentation requirements for the ESF thermomechanical experiments

    International Nuclear Information System (INIS)

    Pott, J.; Brechtel, C.E.

    1992-01-01

    In situ thermomechanical experiments are planned as part of the Yucca Mountain Site Characterization Project that require instruments to measure stress and displacement at temperatures that exceed the typical specifications of existing geotechnical instruments. A high degree of instrument reliability will also be required to satisfy the objectives of the experiments, therefore a study was undertaken to identify areas where improvement in instrument performance was required. A preliminary list of instruments required for the experiments was developed, based on existing test planning and analysis. Projected temperature requirements were compared to specifications of existing instruments to identify instrumentation development needs. Different instrument technologies, not currently employed in geotechnical instrumentation, were reviewed to identify potential improvements of existing designs for the high temperature environment. Technologies with strong potentials to improve instrument performance with relatively high reliability include graphite fiber composite materials, fiber optics, and video imagery

  18. Thermomechanical Behavior of Rotor with Rubbing

    Directory of Open Access Journals (Sweden)

    Jerzy T. Sawicki

    2003-01-01

    Full Text Available This article presents an analytical study of the dynamics and stability of rotors subjected to rubbing due to contact with seals, taking account of associated thermal effects. The seal interaction force acting on the shaft gives rise to a friction force, which is a source of heating and can induce so-called spiral vibrations. A mathematical model that has been developed couples the heat-conduction equation with the equations for motion of the rotor. Numerical simulations have been conducted that show the thermomechanical behavior of the rotor at various operating conditions. A procedure for analyzing the stability of multibearing rotors based on the system eigenvalue analysis and the state-space approach has been proposed. Finally, the experimental data related to full annular rub have been presented.

  19. Plasmonically enhanced thermomechanical detection of infrared radiation.

    Science.gov (United States)

    Yi, Fei; Zhu, Hai; Reed, Jason C; Cubukcu, Ertugrul

    2013-04-10

    Nanoplasmonics has been an attractive area of research due to its ability to localize and manipulate freely propagating radiation on the nanometer scale for strong light-matter interactions. Meanwhile, nanomechanics has set records in the sensing of mass, force, and displacement. In this work, we report efficient coupling between infrared radiation and nanomechanical resonators through nanoantenna enhanced thermoplasmonic effects. Using efficient conversion of electromagnetic energy to mechanical energy in this plasmo-thermomechanical platform with a nanoslot plasmonic absorber integrated directly on a nanobeam mechanical resonator, we demonstrate room-temperature detection of nanowatt level power fluctuations in infrared radiation. We expect our approach, which combines nanoplasmonics with nanomechanical resonators, to lead to optically controlled nanomechanical systems enabling unprecedented functionality in biomolecular and toxic gas sensing and on-chip mass spectroscopy.

  20. Microstructure history effect during sequential thermomechanical processing

    International Nuclear Information System (INIS)

    Yassar, Reza S.; Murphy, John; Burton, Christina; Horstemeyer, Mark F.; El kadiri, Haitham; Shokuhfar, Tolou

    2008-01-01

    The key to modeling the material processing behavior is the linking of the microstructure evolution to its processing history. This paper quantifies various microstructural features of an aluminum automotive alloy that undergoes sequential thermomechanical processing which is comprised hot rolling of a 150-mm billet to a 75-mm billet, rolling to 3 mm, annealing, and then cold rolling to a 0.8-mm thickness sheet. The microstructural content was characterized by means of electron backscatter diffraction, scanning electron microscopy, and transmission electron microscopy. The results clearly demonstrate the evolution of precipitate morphologies, dislocation structures, and grain orientation distributions. These data can be used to improve material models that claim to capture the history effects of the processing materials

  1. Thermo-mechanical simulations of early-age concrete cracking with durability predictions

    Science.gov (United States)

    Havlásek, Petr; Šmilauer, Vít; Hájková, Karolina; Baquerizo, Luis

    2017-09-01

    Concrete performance is strongly affected by mix design, thermal boundary conditions, its evolving mechanical properties, and internal/external restraints with consequences to possible cracking with impaired durability. Thermo-mechanical simulations are able to capture those relevant phenomena and boundary conditions for predicting temperature, strains, stresses or cracking in reinforced concrete structures. In this paper, we propose a weakly coupled thermo-mechanical model for early age concrete with an affinity-based hydration model for thermal part, taking into account concrete mix design, cement type and thermal boundary conditions. The mechanical part uses B3/B4 model for concrete creep and shrinkage with isotropic damage model for cracking, able to predict a crack width. All models have been implemented in an open-source OOFEM software package. Validations of thermo-mechanical simulations will be presented on several massive concrete structures, showing excellent temperature predictions. Likewise, strain validation demonstrates good predictions on a restrained reinforced concrete wall and concrete beam. Durability predictions stem from induction time of reinforcement corrosion, caused by carbonation and/or chloride ingress influenced by crack width. Reinforcement corrosion in concrete struts of a bridge will serve for validation.

  2. Manufacturing and thermomechanical testing of actively cooled all beryllium high heat flux test pieces

    International Nuclear Information System (INIS)

    Vasiliev, N.N.; Sokolov, Yu.A.; Shatalov, G.E.

    1995-01-01

    One of the problems affiliated to ITER high heat flux elements development is a problem of interface of beryllium protection with heat sink routinely made of copper alloys. To get rid of this problem all beryllium elements could be used as heat receivers in places of enhanced thermal loads. In accordance with this objectives four beryllium test pieces of two types have been manufactured in open-quotes Institute of Berylliumclose quotes for succeeding thermomechanical testing. Two of them were manufactured in accordance with JET team design; they are round open-quotes hypervapotron typeclose quotes test pieces. Another two ones are rectangular test sections with a twisted tape installed inside of the circular channel. Preliminary stress-strain analysis have been performed for both type of the test pieces. Hypervapotrons have been shipped to JET where they were tested on JET test bed. Thermomechanical testing of pieces of the type of open-quotes swirl tape inside of tubeclose quotes have been performed on Kurchatov Institute test bed. Chosen beryllium grade properties, some details of manufacturing, results of preliminary stress-strain analysis and thermomechanical testing of the test pieces open-quotes swirl tape inside of tubeclose quotes type are given in this report

  3. A thermomechanical crystal plasticity constitutive model for ultrasonic consolidation

    KAUST Repository

    Siddiq, Amir; El Sayed, Tamer S.

    2012-01-01

    We present a micromechanics-based thermomechanical constitutive model to simulate the ultrasonic consolidation process. Model parameters are calibrated using an inverse modeling approach. A comparison of the simulated response and experimental

  4. The electric and thermoelectric properties of Cu(II)-Schiff base nano-complexes

    Science.gov (United States)

    Ibrahim, E. M. M.; Abdel-Rahman, Laila H.; Abu-Dief, Ahmed M.; Elshafaie, A.; Hamdan, Samar Kamel; Ahmed, A. M.

    2018-05-01

    The physical properties, such as electric and optical properties, of metal-Schiff base complexes have been widely investigated. However, their thermoelectric (TE) properties remain unreported. This work presents Cu(II)-Schiff base complexes as promising materials for TE power generation. Therefore, three Cu(II)-Schiff base complexes (namely, [Cu(C32H22N4O2)].3/2H2O, [Cu(C23H17N4O7Br)], and [Cu(C27H22N4O8)].H2O) have been synthesized in nanosized scale. The electric and TE properties have been studied and comprehensive discussions have been presented to promote the nano-complexes (NCs) practical applications in the field of TE power generation. The electrical measurements confirm that the NCs are semiconductors and the electrical conduction process is governed by intermolecular and intramolecular transfer of the charge carriers. The TE measurements reveal that the Cu(II)-Schiff base NCs are nondegenerate P-type semiconductors. The measured Seebeck coefficient values were higher compared to the values reported in previous works for other organic materials indicating that the complexes under study are promising candidates for theremoelectric applications if the electrical conductivity could be enhanced.

  5. Research of the complex of functional and technological properties of animal protein

    Directory of Open Access Journals (Sweden)

    Олена Борисівна Дроменко

    2016-12-01

    Full Text Available The analysis of the results of analytical and practical research of the complex of functional and technological properties of animal protein Gelexcel A-95 as the basis for creation of complex functional additives is shown. The regularities of their changes are determined depending on technological factors. Rational parameters of animal protein rehydration, gelation conditions, emulsification for further use in the process of production of meat products are identified

  6. Influence of complex particle emission on properties of giant dipole resonance of hot nuclei

    International Nuclear Information System (INIS)

    Wen Wanxin; Jin Genming

    2003-01-01

    The possible reasons for the discrepancy between calculation results based on the statistical evaporation model and experimental data of giant dipole resonance of very hot nuclei are discussed. Both of simulations with the standard CASCADE code and the code coupling complex particle emission are carried out. It is shown that the complex particle emission affects the properties of giant dipole resonance of very hot nuclei

  7. Mechanical properties of the normal human cartilage-bone complex in relation to age

    DEFF Research Database (Denmark)

    Ding, Ming; Dalstra, M; Linde, F

    1998-01-01

    OBJECTIVE: This study investigates the age-related variations in the mechanical properties of the normal human tibial cartilage-bone complex and the relationships between cartilage and bone. DESIGN: A novel technique was applied to assess the mechanical properties of the cartilage and bone by mea...... that are of importance for the understanding of the etiology and pathogenesis of degenerative joint diseases, such as arthrosis....

  8. Molecular Modeling and Physicochemical Properties of Supramolecular Complexes of Limonene with α- and β-Cyclodextrins.

    Science.gov (United States)

    Dos Passos Menezes, Paula; Dos Santos, Polliana Barbosa Pereira; Dória, Grace Anne Azevedo; de Sousa, Bruna Maria Hipólito; Serafini, Mairim Russo; Nunes, Paula Santos; Quintans-Júnior, Lucindo José; de Matos, Iara Lisboa; Alves, Péricles Barreto; Bezerra, Daniel Pereira; Mendonça Júnior, Francisco Jaime Bezerra; da Silva, Gabriel Francisco; de Aquino, Thiago Mendonça; de Souza Bento, Edson; Scotti, Marcus Tullius; Scotti, Luciana; de Souza Araujo, Adriano Antunes

    2017-02-01

    This study evaluated three different methods for the formation of an inclusion complex between alpha- and beta-cyclodextrin (α- and β-CD) and limonene (LIM) with the goal of improving the physicochemical properties of limonene. The study samples were prepared through physical mixing (PM), paste complexation (PC), and slurry complexation (SC) methods in the molar ratio of 1:1 (cyclodextrin:limonene). The complexes prepared were evaluated with thermogravimetry/derivate thermogravimetry, infrared spectroscopy, X-ray diffraction, complexation efficiency through gas chromatography/mass spectrometry analyses, molecular modeling, and nuclear magnetic resonance. The results showed that the physical mixing procedure did not produce complexation, but the paste and slurry methods produced inclusion complexes, which demonstrated interactions outside of the cavity of the CDs. However, the paste obtained with β-cyclodextrin did not demonstrate complexation in the gas chromatographic technique because, after extraction, most of the limonene was either surface-adsorbed by β-cyclodextrin or volatilized during the procedure. We conclude that paste complexation and slurry complexation are effective and economic methods to improve the physicochemical character of limonene and could have important applications in pharmacological activities in terms of an increase in solubility.

  9. Three-Dimensional Finite Element Modeling of Thermomechanical Problems in Functionally Graded Hydroxyapatite/Titanium Plate

    Directory of Open Access Journals (Sweden)

    S. N. S. Jamaludin

    2014-01-01

    Full Text Available The composition of hydroxyapatite (HA as the ceramic phase and titanium (Ti as the metallic phase in HA/Ti functionally graded materials (FGMs shows an excellent combination of high biocompatibility and high mechanical properties in a structure. Because the gradation of these properties is one of the factors that affects the response of the functionally graded (FG plates, this paper is presented to show the domination of the grading parameter on the displacement and stress distribution of the plates. A three-dimensional (3D thermomechanical model of a 20-node brick quadratic element is used in the simulation of the thermoelastic behaviors of HA/Ti FG plates subjected to constant and functional thermal, mechanical, and thermomechanical loadings. The convergence properties of the present results are examined thoroughly in order to assess the accuracy of the theory applied and to compare them with the established research results. Instead of the grading parameter, this study reveals that the loading field distribution can be another factor that reflects the thermoelastic properties of the HA/Ti FG plates. The FG structure is found to be able to withstand the thermal stresses while preserving the high toughness properties and thus shows its ability to operate at high temperature.

  10. Thermomechanical architecture of the VIS focal plane for Euclid

    International Nuclear Information System (INIS)

    Martignac, Jerome; Carty, Michael; Tourette, Thierry; Bachet, Damien; Berthe, Michel; Augueres, Jean-Louis; Amiaux, Jerome; Fontignie, Jean; Horeau, Benoit; Renaud, Diana

    2014-01-01

    One of the main challenges for current and near future space experiments is the increase of focal plane complexity in terms of amount of pixels. In the frame work of the ESA Euclid mission to be launched in 2020, the Euclid Consortium is developing an extremely large and stable focal plane for the VIS instrument. CEA has developed the thermomechanical architecture of that Focal Plane taking into account all the very stringent performance and mission related requirements. The VIS Focal Plane Assembly integrates 36 CCDs (operated at 150 K) connected to their front end electronics (operated at 280 K) as to obtain one of the largest focal plane (0.6 billion pixels) ever built for space application after the GAIA one. The CCDs are CCD273 type specially designed and provided by the e2v company under ESA contract, front end electronics is studied and provided by MSSL. In this paper we first recall the specific requirements that have driven the overall architecture of the VIS-FPA and especially the solutions proposed to cope with the scientific needs of an extremely stable focal plane, both mechanically and thermally. The mechanical structure based on SiC material used for the cold sub assembly supporting the CCDs is detailed. We describe also the modular architecture concept that we have selected taking into account AIT-AIV and programmatic constraints. (authors)

  11. Thermomechanical Fatigue of Ductile Cast Iron and Its Life Prediction

    Science.gov (United States)

    Wu, Xijia; Quan, Guangchun; MacNeil, Ryan; Zhang, Zhong; Liu, Xiaoyang; Sloss, Clayton

    2015-06-01

    Thermomechanical fatigue (TMF) behaviors of ductile cast iron (DCI) were investigated under out-of-phase (OP), in-phase (IP), and constrained strain-control conditions with temperature hold in various temperature ranges: 573 K to 1073 K, 723 K to 1073 K, and 433 K to 873 K (300 °C to 800 °C, 450 °C to 800 °C, and 160 °C to 600 °C). The integrated creep-fatigue theory (ICFT) model was incorporated into the finite element method to simulate the hysteresis behavior and predict the TMF life of DCI under those test conditions. With the consideration of four deformation/damage mechanisms: (i) plasticity-induced fatigue, (ii) intergranular embrittlement, (iii) creep, and (iv) oxidation, as revealed from the previous study on low cycle fatigue of the material, the model delineates the contributions of these physical mechanisms in the asymmetrical hysteresis behavior and the damage accumulation process leading to final TMF failure. This study shows that the ICFT model can simulate the stress-strain response and life of DCI under complex TMF loading profiles (OP and IP, and constrained with temperature hold).

  12. Molecular Fluoride-Bridged 3d-4f Complexes and Their Magnetic Properties

    DEFF Research Database (Denmark)

    Pedersen, K. S.; Bendix, J.

    2016-01-01

    trifluorides with very high lattice enthalpies, building block approaches are not limited to robust systems and use of labile transition metal fluoride complexes has met with unexpected success. The physical properties of fluoride-bridged 3d-4f systems are crucially dependent on coordination geometries, which...... be utilized efficiently in tailored synthesis of polynuclear complexes and extended structures. In particular, the strong affinity of the lanthanides for fluoride makes it a good choice for directed synthesis of mixed lanthanide-transition metal complexes. Despite the competition from formation of lanthanide...

  13. Effect of Thermomechanical Processing on the Microstructure, Properties, and Work Behavior of a Ti50.5 Ni29.5 Pt20 High-Temperature Shape Memory Alloy

    Science.gov (United States)

    Noebe, Ronald; Draper, Susan; Gaydosh, Darrell; Garga, Anita; Lerch, Brad; Penney, Nicholas; Begelow, Glen; Padula, Santo, II; Brown, Jeff

    2006-01-01

    TiNiPt shape memory alloys are particularly promising for use as solid state actuators in environments up to 300 C, due to a reasonable balance of properties, including acceptable work output. However, one of the challenges to commercializing a viable high-temperature shape memory alloy (HTSMA) is to establish the appropriate primary and secondary processing techniques for fabrication of the material in a required product form such as rod and wire. Consequently, a Ti(50.5)Ni(29.5)Pt20 alloy was processed using several techniques including single-pass high-temperature extrusion, multiple-pass high-temperature extrusion, and cold drawing to produce bar stock, thin rod, and fine wire, respectively. The effects of heat treatment on the hardness, grain size, room temperature tensile properties, and transformation temperatures of hot- and cold-worked material were examined. Basic tensile properties as a function of temperature and the strain-temperature response of the alloy under constant load, for the determination of work output, were also investigated for various forms of the Ti(50.5)Ni(29.5)Pt20 alloy, including fine wire.

  14. Structural and antimicrobial properties of irradiated chitosan and its complexes with zinc

    International Nuclear Information System (INIS)

    Khan, Azam; Mehmood, Shaukat; Shafiq, Muhammad; Yasin, Tariq; Akhter, Zareen; Ahmad, Shabir

    2013-01-01

    The aim of this research was to evaluate the structural and antimicrobial properties of irradiated chitosan and its complexes with zinc. Chitosan having a molecular weight (M η ) of 220 kDa was exposed to gamma rays in dry, wet and solution forms. The chitosan-zinc complexes were prepared by varying the M η of chitosan and Zn content. Viscometeric analysis revealed a sharp decrease in the M η of chitosan irradiated in solution form even at lower doses compared with the dry and wet forms. X-ray diffraction patterns demonstrated variation in the crystallinity of chitosan upon exposure to gamma rays. The antibacterial response of the irradiated chitosan and its complexes against gram-positive and gram-negative bacteria demonstrated wide spectrum of effective antimicrobial activities, which increased with the dose. Additionally, the complexes exhibited excellent antifungal activity with no growth of Aspergallious fumigatus and Fusarium solani even after two weeks. These results suggested that the irradiated chitosan and its complexes with Zn can be used as antimicrobial additives for various applications. - Highlights: • Gamma radiation is used to lower the molecular weight of chitosan. • The effect of environment on radiation degradation of chitosan is studied. • Its complexes with different amount of zinc are prepared and characterized. • Radiation-degraded chitosan and complexes showed good antibacterial properties

  15. The development of heat exchangers with advanced thermomechanical materials

    International Nuclear Information System (INIS)

    Capra, Marcello

    1997-07-01

    Current metallurgical limitations necessarily impose a number of restrictions on the efficiency of power plant and combustion systems. These limitations include both temperature and corrosion resistance. If significant improvements can be made in these areas, then not only will it be possible to obtain higher system efficiencies, but it will also be possible to further exploit new technologies. Consequently, there is appreciable interest in the development of ceramic tubes for heat exchangers. Such tubes would offer the potential of operation at much higher temperatures combined with a much improved resistance to chemical attack. They are unlikely to be suitable for high pressure operation, at least in the foreseeable future, and hence their use would be limited generally to gas to gas exchangers. In spite of the limitations on details and specific technological solutions imposed by industrial property conditions, this report provides an overview on the development of these components, which is in charge of all the major international industrial companies of the field, in consideration of the relevant benefits coming from their large industrialization. After an analysis of the industrial situation of the product, in terms both of possible applications and economical impacts on the market, an overview of major on-going R and D programmes is carried out. At present, these programmes are mostly within the general frame of the study of advanced thermomechanical components and the related manufacturing technologies development

  16. Thermomechanical Impact of Polyurethane Potting on Gun Launched Electronics

    Directory of Open Access Journals (Sweden)

    A. S. Haynes

    2013-01-01

    Full Text Available Electronics packages in precision guided munitions are used in guidance and control units, mission computers, and fuze-safe-and-arm devices. They are subjected to high g-loads during gun launch, pyrotechnic shocks during flight, and high g-loads upon impact with hard targets. To enhance survivability, many electronics packages are potted after assembly. The purpose of the potting is to provide additional structural support and shock damping. Researchers at the US Army recently completed a series of dynamic mechanical tests on a urethane-based potting material to assess its behavior in an electronics assembly during gun launch and under varying thermal launch conditions. This paper will discuss the thermomechanical properties of the potting material as well as simulation efforts to determine the suitability of this potting compound for gun launched electronics. Simulation results will compare stresses and displacements for a simplified electronics package with and without full potting. An evaluation of the advantages and consequences of potting electronics in munitions systems will also be discussed.

  17. Thermomechanical analyses of phenolic foam reinforced with glass fiber mat

    International Nuclear Information System (INIS)

    Zhou, Jintang; Yao, Zhengjun; Chen, Yongxin; Wei, Dongbo; Wu, Yibing

    2013-01-01

    Highlights: • Over 10% glass fiber was used to reinforce phenolic foam in the shape of glass fiber mat. • Nucleating agents were used together with glass fiber mat and improved tensile strength of phenolic foam by 215.6%. • Nucleating agents lead to a smaller bubble size of phenolic foam. • The glass transition temperature of phenolic foam remained unchanged during the reinforcement. - Abstract: In this paper, thermomechanical analysis (TMA) and dynamic mechanical analysis were employed to study the properties of phenolic foam reinforced with glass fiber mat. Unreinforced phenolic foam was taken as the control sample. Mechanical tests and scanning electron microscopy were performed to confirm the results of TMA. The results show that glass fiber mat reinforcement improves the mechanical performance of phenolic foam, and nucleating agents improve it further. Phenolic foam reinforced with glass fiber mat has a smaller thermal expansion coefficient compared with unreinforced foam. The storage modulus of the reinforced phenolic foam is also higher than that in unreinforced foam, whereas the loss modulus of the former is lower than that of the latter. The glass transition temperature of the phenolic foam matrix remains unchanged during the reinforcement

  18. Progress in thermomechanical control of steel plates and their commercialization

    Science.gov (United States)

    Nishioka, Kiyoshi; Ichikawa, Kazutoshi

    2012-01-01

    The water-cooled thermomechanical control process (TMCP) is a technology for improving the strength and toughness of water-cooled steel plates, while allowing control of the microstructure, phase transformation and rolling. This review describes metallurgical aspects of the microalloying of steel, such as niobium addition, and discusses advantages of TMCP, for example, in terms of weldability, which is reduced upon alloying. Other covered topics include the development of equipment, distortions in steel plates, peripheral technologies such as steel making and casting, and theoretical modeling, as well as the history of property control in steel plate production and some early TMCP technologies. We provide some of the latest examples of applications of TMCP steel in various industries such as shipbuilding, offshore structures, building construction, bridges, pipelines, penstocks and cryogenic tanks. This review also introduces high heat-affected-zone toughness technologies, wherein the microstructure of steel is improved by the addition of fine particles of magnesium-containing sulfides and magnesium- or calcium-containing oxides. We demonstrate that thanks to ongoing developments TMCP has the potential to meet the ever-increasing demands of steel plates. PMID:27877477

  19. Progress in thermomechanical control of steel plates and their commercialization

    Directory of Open Access Journals (Sweden)

    Kiyoshi Nishioka and Kazutoshi Ichikawa

    2012-01-01

    Full Text Available The water-cooled thermomechanical control process (TMCP is a technology for improving the strength and toughness of water-cooled steel plates, while allowing control of the microstructure, phase transformation and rolling. This review describes metallurgical aspects of the microalloying of steel, such as niobium addition, and discusses advantages of TMCP, for example, in terms of weldability, which is reduced upon alloying. Other covered topics include the development of equipment, distortions in steel plates, peripheral technologies such as steel making and casting, and theoretical modeling, as well as the history of property control in steel plate production and some early TMCP technologies. We provide some of the latest examples of applications of TMCP steel in various industries such as shipbuilding, offshore structures, building construction, bridges, pipelines, penstocks and cryogenic tanks. This review also introduces high heat-affected-zone toughness technologies, wherein the microstructure of steel is improved by the addition of fine particles of magnesium-containing sulfides and magnesium- or calcium-containing oxides. We demonstrate that thanks to ongoing developments TMCP has the potential to meet the ever-increasing demands of steel plates.

  20. Properties of lotus seed starch-glycerin monostearin complexes formed by high pressure homogenization.

    Science.gov (United States)

    Chen, Bingyan; Zeng, Shaoxiao; Zeng, Hongliang; Guo, Zebin; Zhang, Yi; Zheng, Baodong

    2017-07-01

    Starch-lipid complexes were prepared using lotus seed starch (LS) and glycerin monostearate (GMS) via a high pressure homogenization (HPH) process, and the effect of HPH on the physicochemical properties of LS-GMS complexes was investigated. The results of Fourier transform infrared spectroscopy and complex index analysis showed that LS-GMS complexes were formed at 40MPa by HPH and the complex index increased with the increase of homogenization pressure. Scanning electron microscopy displayed LS-GMS complexes present more nest-shape structure with increasing homogenization pressure. X-ray diffraction and differential scanning calorimetry results revealed that V-type crystalline polymorph was formed between LS and GMS, with higher homogenization pressure producing an increasingly stable complex. LS-GMS complex inhibited starch granules swelling, solubility and pasting development, which further reduced peak and breakdown viscosity. During storage, LS-GMS complexes prepared by 70-100MPa had higher Avrami exponent values and lower recrystallization rates compared with native starch, which suggested a lower retrogradation trendency. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Ice Shaping Properties, Similar to That of Antifreeze Proteins, of a Zirconium Acetate Complex

    Science.gov (United States)

    Deville, Sylvain; Viazzi, Céline; Leloup, Jérôme; Lasalle, Audrey; Guizard, Christian; Maire, Eric; Adrien, Jérôme; Gremillard, Laurent

    2011-01-01

    The control of the growth morphologies of ice crystals is a critical issue in fields as diverse as biomineralization, medicine, biology, civil or food engineering. Such control can be achieved through the ice-shaping properties of specific compounds. The development of synthetic ice-shaping compounds is inspired by the natural occurrence of such properties exhibited by antifreeze proteins. We reveal how a particular zirconium acetate complex is exhibiting ice-shaping properties very similar to that of antifreeze proteins, albeit being a radically different compound. We use these properties as a bioinspired approach to template unique faceted pores in cellular materials. These results suggest that ice-structuring properties are not exclusive to long organic molecules and should broaden the field of investigations and applications of such substances. PMID:22028886

  2. Ice shaping properties, similar to that of antifreeze proteins, of a zirconium acetate complex.

    Directory of Open Access Journals (Sweden)

    Sylvain Deville

    Full Text Available The control of the growth morphologies of ice crystals is a critical issue in fields as diverse as biomineralization, medicine, biology, civil or food engineering. Such control can be achieved through the ice-shaping properties of specific compounds. The development of synthetic ice-shaping compounds is inspired by the natural occurrence of such properties exhibited by antifreeze proteins. We reveal how a particular zirconium acetate complex is exhibiting ice-shaping properties very similar to that of antifreeze proteins, albeit being a radically different compound. We use these properties as a bioinspired approach to template unique faceted pores in cellular materials. These results suggest that ice-structuring properties are not exclusive to long organic molecules and should broaden the field of investigations and applications of such substances.

  3. Evaluation of the properties of complexing agent-collectors of eudialyte flotation

    Directory of Open Access Journals (Sweden)

    Mitrofanova G.V.

    2015-06-01

    Full Text Available Acid-based and complexing properties of reagent-collectors (carboxylic and hydroxamic acids, styrylphosphonic acid and dialkyl ether of phosphoric acid for flotation of zirconium-containing minerals have been studied. Stability constants for zirconium compounds of investigated reagents have been determined. Eudialyte-containing ore flotation has proved high efficiency of hydroxamic acids

  4. Synthesis and properties of a trinuclear copper(II) complex with trithiocyanurate bridge

    Czech Academy of Sciences Publication Activity Database

    Kopel, P.; Čermáková, Š.; Doležal, Karel; Kalińska, B.; Bieńko, A.; Mroziński, J.

    2007-01-01

    Roč. 81, č. 3 (2007), s. 327-335 ISSN 0137- 5083 Institutional research plan: CEZ:AV0Z50380511 Keywords : copper(II) * trithiocyanuric acid complexes * magnetic properties Subject RIV: CA - Inorganic Chemistry Impact factor: 0.483, year: 2007 http://ichf.edu.pl/pjch/pj-2007/pj-2007-03a.pdf

  5. Effect of thermo-mechanical processing on microstructure and mechanical properties of U - Nb - Zr alloys: Part 2 - U - 3 wt % Nb - 9 wt % Zr and U - 9 wt% Nb - 3 wt% Zr

    Science.gov (United States)

    Morais, Nathanael Wagner Sales; Lopes, Denise Adorno; Schön, Cláudio Geraldo

    2018-04-01

    The present work is the second and final part of an extended investigation on Usbnd Nb - Zr alloys. It investigates the effect of mechanical processing routes on microstructure of alloys U - 3 wt % Nb - 9 wt % Zr and U - 9 wt% Nb - 3 wt% Zr, through X-ray diffraction and scanning electron microscopy, completing the investigation, which started with alloy U - 6 wt% Nb - 6 wt% Zr in part 1. Mechanical properties are determined using microhardness and bending tests and correlated with the developed microstructures. The results show that processing sequence, in particular the inclusion of a 1000 °C heat treatment step, affects significantly the microstructure and mechanical properties of these alloys alloy in different ways. Microstructural characterization shows that both alloys present significant volume fraction of precipitates of a body-centered cubic (BCC) γ-Nb-Zr rich phase in addition the uranium-rich matrix. Bending tests show that sample ductility does not correlate necessarily with hardness and that the key factor appears to be the amount of the γ-Nb-Zr precipitates, which controls the matrix microstructure. Samples with a monoclinic α″ cellular microstructure and/or with the tetragonally-distorted BCC phase (γ0), although not strictly ductile, showed the largest allowed strains-before-break and complete elastic recovery of the broken pieces, pointing out to the macroscopic observation of superelasticity.

  6. On the Boundedness and Symmetry Properties of the Fractal Sets Generated from Alternated Complex Map

    Directory of Open Access Journals (Sweden)

    Da Wang

    2016-01-01

    Full Text Available A complex map can give rise to two kinds of fractal sets: the Julia sets and the parameters sets (or the connectivity loci which represent different connectivity properties of the corresponding Julia sets. In the significative results of (Int. J. Bifurc. Chaos, 2009, 19:2123–2129 and (Nonlinear. Dyn. 2013, 73:1155–1163, the authors presented the two kinds of fractal sets of a class of alternated complex map and left some visually observations to be proved about the boundedness and symmetry properties of these fractal sets. In this paper, we improve the previous results by giving the strictly mathematical proofs of the two properties. Some simulations that verify the theoretical proofs are also included.

  7. Effect of Thermomechanical Treatment on the Environmentally Induced Cracking Behavior of AA7075 Alloy

    Science.gov (United States)

    Ghosh, Rahul; Venugopal, A.; Sankaravelayudham, P.; Panda, Rajiv; Sharma, S. C.; George, Koshy M.; Raja, V. S.

    2015-02-01

    The influence of thermomechanical treatment on the stress corrosion cracking behavior of AA7075 aluminum alloy forgings was examined in 3.5% NaCl solution by varying the extent of thermomechanical working imparted to each of the conditions. The results show that inadequate working during billet processing resulted in inferior corrosion and mechanical properties. However, more working with intermediate pre-heating stages also led to precipitation of coarse particles resulting in lowering of mechanical properties marginally and a significant reduction in the general/pitting corrosion resistance. The results obtained in the present study indicate that optimum working with controlled pre-heating levels is needed during forging to achieve the desired properties. It is also demonstrated that AA7075 in the over aged condition does not show any environmental cracking susceptibility in spite of the microstructural variations in terms of size and volume fraction of the precipitates. However, the above microstructural variations definitely affected the pitting corrosion and mechanical properties significantly and hence a strict control over the working and pre-heating stages during billet processing is suggested.

  8. Vibrational spectra, powder X-ray diffractions and physical properties of cyanide complexes with 1-ethylimidazole

    Science.gov (United States)

    Kürkçüoğlu, Güneş Süheyla; Kiraz, Fulya Çetinkaya; Sayın, Elvan

    2015-10-01

    The heteronuclear tetracyanonickelate(II) complexes of the type [M(etim)Ni(CN)4]n (hereafter, abbreviated as M-Ni-etim, M = Mn(II), Fe(II) or Co(II); etim = 1-ethylimidazole, C5H8N2) were prepared in powder form and characterized by FT-IR and Raman spectroscopy, powder X-ray diffraction (PXRD), thermal (TG; DTG and DTA), and elemental analysis techniques. The structures of these complexes were elucidated using vibrational spectra and powder X-ray diffraction patterns with the peak assignment to provide a better understanding of the structures. It is shown that the spectra are consistent with a proposed crystal structure for these compounds derived from powder X-ray diffraction measurements. Vibrational spectra of the complexes were presented and discussed with respect to the internal modes of both the etim and the cyanide ligands. The C, H and N analyses were carried out for all the complexes. Thermal behaviors of these complexes were followed using TG, DTG and DTA curves in the temperature range 30-700 °C in the static air atmosphere. The FT-IR, Raman spectra, thermal and powder X-ray analyses revealed no significant differences between the single crystal and powder forms. Additionally, electrical and magnetic properties of the complexes were investigated. The FT-IR and Raman spectroscopy, PXRD, thermal and elemental analyses results propose that these complexes are similar in structure to the Hofmann-type complexes.

  9. Thermomechanical analysis of nuclear fuel elements

    International Nuclear Information System (INIS)

    Hernandez L, H.

    1997-01-01

    This work presents development of a code to obtain the thermomechanical analysis of fuel rods in the fuel assemblies inserted in the core of BWR reactors. The code uses experimental correlations developed in several laboratories. The development of the code is divided in two parts: a) the thermal part and b) the mechanical part, extending both the fuel and the cladding materials. The thermal part consists of finding the radial distribution of temperatures in the pellet, from the fuel centerline up to the coolant, along the total active length, considering one and two phase flow in the coolant, as a result of the pressure drop in the system. The mechanical part analyzes the effects of temperature gradients, pressure and irradiation, to which the fuel rod is subjected. The strains produced by swelling, creep and thermal stress in the fuel material are analyzed. In the same way the strains in the cladding are analyzed, considering the effects produced by the pressure exerted on the cladding by pellet swelling, by the pressure caused by fission gas release toward the cavities, and by the strain produced on the cladding by the pressure changes of the system. (Author)

  10. Thermomechanical fatigue in single crystal superalloys

    Directory of Open Access Journals (Sweden)

    Moverare Johan J.

    2014-01-01

    Full Text Available Thermomechanical fatigue (TMF is a mechanism of deformation which is growing in importance due to the efficiency of modern cooling systems and the manner in which turbines and associated turbomachinery are now being operated. Unfortunately, at the present time, relatively little research has been carried out particularly on TMF of single crystal (SX superalloys, probably because the testing is significantly more challenging than the more standard creep and low cycle fatigue (LCF cases; the scarcity and relative expense of the material are additional factors. In this paper, the authors summarise their experiences on the TMF testing of SX superalloys, built up over several years. Emphasis is placed upon describing: (i the nature of the testing method, the challenges involved in ensuring that an given testing methodology is representative of engine conditions (ii the behaviour of a typical Re-containing second generation alloy such as CMSX-4, and its differing performance in out-of-phase/in-phase loading and crystallographic orientation and (iii the differences in behaviour displayed by the Re-containing alloys and new Re-free variants such as STAL15. It is demonstrated that the Re-containing superalloys are prone to different degradation mechanisms involving for example microtwinning, TCP precipitation and recrystallisation. The performance of STAL15 is not too inferior to alloys such as CMSX-4, suggesting that creep resistance itself does not correlate strongly with resistance to TMF. The implications for alloy design efforts are discussed.

  11. Thermomechanical characterization of pure polycrystalline tantalum

    International Nuclear Information System (INIS)

    Rittel, D.; Bhattacharyya, A.; Poon, B.; Zhao, J.; Ravichandran, G.

    2007-01-01

    The thermomechanical behavior of pure polycrystalline tantalum has been characterized over a wide range of strain rates, using the recently developed shear compression specimen [D. Rittel, S. Lee, G. Ravichandran, Experimental Mechanics 42 (2002) 58-64]. Dynamic experiments were carried out using a split Hopkinson pressure bar, and the specimen's temperature was monitored throughout the tests using an infrared radiometer. The results of the mechanical tests confirm previous results on pure Ta. Specifically, in addition to its significant strain rate sensitivity, it was observed that pure Ta exhibits very little strain hardening at high strain rates. The measured temperature rise in the specimen's gauge was compared to theoretical predictions which assume a total conversion of the mechanical energy into heat (β = 1) [G.I. Taylor, H. Quinney, Proceedings of the Royal Society of London, vol. A, 1934, pp. 307-326], and an excellent agreement was obtained. This result confirms the previous result of Kapoor and Nemat-Nasser [R. Kapoor, S. Nemat-Nasser, Mech. Mater. 27 (1998) 1-12], while a different experimental approach was adopted here. The assumption that β = 1 is found to be justified in this specific case by the lack of dynamic strain hardening of pure Ta. However, this assumption should be limited to non-hardening materials, to reflect the fact that strain hardening implies that part of the mechanical energy is stored into the material's microstructure

  12. Thermomechanical fatigue of shape memory alloys

    International Nuclear Information System (INIS)

    Lagoudas, D C; Kumar, P K; Miller, D A; Rong, L

    2009-01-01

    As shape memory alloys (SMAs) gain popularity as high energy density actuators, one characteristic that becomes particularly important is the thermomechanical transformation fatigue life, in addition to maximum transformation strain and stability of actuation cycles. In this paper, a novel test frame design and testing protocol are discussed, for investigating the thermally activated transformation fatigue characteristics of SMAs under various applied loads for both complete and partial phase transformation. A Ni 50 Ti 40 Cu 10 (at.%) SMA was chosen for this investigation and the effects of various heat treatments on the transformation temperatures and the transformation fatigue lives of actuators were studied. For selected heat treatments, the evolution of recoverable and irrecoverable strains up to failure under different applied stress levels was studied in detail. The influence of complete and partial transformation on the fatigue life is also presented. The irrecoverable strain accumulation as a function of the number of cycles to failure for different stress levels is presented by a relationship similar to the Manson–Coffin law for both partial and complete transformations

  13. Study of Carbide Evolution During Thermo-Mechanical Processing of AISI D2 Tool Steel

    Science.gov (United States)

    Bombac, D.; Fazarinc, M.; Podder, A. Saha; Kugler, G.

    2013-03-01

    The microstructure of a cold-worked tool steel (AISI D2) with various thermo-mechanical treatments was examined in the current study to identify the effects of these treatments on phases. X-ray diffraction was used to identify phases. Microstructural changes such as spheroidization and coarsening of carbides were studied. Thermodynamic calculations were used to verify the results of the differential thermal analysis. It was found that soaking temperature and time have a large influence on dissolution, precipitation, spheroidization, and coalescence of carbides present in the steel. This consequently influences the hot workability and final properties.

  14. Structure and catalytic properties of metal β-diketonate complexes with oxygen-containing compounds

    International Nuclear Information System (INIS)

    Nizel'skij, Yu.N.; Ishchenko, S.S.; Lipatova, T.Eh.

    1985-01-01

    The results of researches published in recent 15-20 years of complexes of metal β-diketonates (including Cr 3+ , VO 2+ , MoOΛ2 2+ , Co 3+ , Mn 3+ , Ni 2+ , Fe 3+ ) with oxygen-containing compounds (alcohols, glycols, phenols, hydroperoxides, aldehydes, esters, etc.) playing an important role in catalytic processes of oxidation, addition, polymerization and copolymerization are reviewed. Data on the nature of chemical bond of oxygen-containing reacting agents with metal β-diketonates, on structure of metal β-diketonate complexes with oxygen-containing reacting agents and thermodynamics of complexing as well as on activation of reacting agents in complexes and catalytic properties of metal β-diketonates are discussed. Stored materials make it possible to exercise directed control of metal β-diketonate activity

  15. Luminescent properties of terbium complexes with catecholamines and their application in analysis

    International Nuclear Information System (INIS)

    Kravchenko, T.B.; Bel'tyukova, S.V.; Kononenko, L.I.; Poluehktov, N.S.

    1982-01-01

    Tb complexing with a representative of catecholamines - adrenaline - is studied using the luminescence method. It is found, that the complexing takes place in alkaline medium (pH 12.0). To prevent from compound oxidation with air oxygen and to create the necessary pH in solution sodium borohydride is used. The highest luminescence intensity is achieved when the reaction occurs in aqueous-isopropanol solutions. It is established that in the complexes formed the ratio of components is the following: Tb:adrenaline=1:3. Luminescent properties of Tb complex with adrenaline are used to determine the latter. The least detectable amount of adrenaline constitutes 0.02 μg, the determination error does not exceed 5.5% [ru

  16. High strength and high electrical conductivity Cu–Cr system alloys manufactured by hot rolling–quenching process and thermomechanical treatments

    International Nuclear Information System (INIS)

    Xia Chengdong; Zhang Wan; Kang Zhanyuan; Jia Yanlin; Wu Yifeng; Zhang Rui; Xu Genying; Wang Mingpu

    2012-01-01

    Highlights: ► HR–Q and thermomechanical treatments are successfully developed to manufacture Cu–Cr system alloys. ► Ordered fcc structure Cr precipitates are considered to be precursors of equilibrium bcc Cr precipitates. ► The Cr precipitates are responsible for the improvement of properties. ► Additions of Zr, Mg and Si bring about significant improvement in properties of Cu–Cr alloy. ► Good properties are ascribed to grain boundary strengthening, strain hardening and precipitation hardening. - Abstract: Cu–Cr system alloy strips were manufactured by an online hot rolling–quenching (HR–Q) process and subsequent thermomechanical treatments. The microstructure and properties of the alloys were investigated by observations of optical microscopy and transmission electron microscopy, and measurements of microhardness and electrical conductivity. The results show that the HR–Q process and thermomechanical treatments are successfully developed to manufacture Cu–Cr system alloy strips with good combinations of strength, conductivity and softening resistance. Ordered fcc structure Cr precipitates, which are decomposed from the thermomechanical treated alloys, are considered to be precursors to the formation of equilibrium bcc Cr precipitates and responsible for the improvement of properties during near peak aging. Small additions of Zr, Mg and Si effectively improve the hardness and softening resistance of Cu–Cr alloy, and slightly reduce the electrical conductivity. The achievement of high strength and high electrical conductivity in the alloys is ascribed to the interactions of grain boundary strengthening, strain hardening and precipitation hardening.

  17. The composition-explicit distillation curve technique: Relating chemical analysis and physical properties of complex fluids.

    Science.gov (United States)

    Bruno, Thomas J; Ott, Lisa S; Lovestead, Tara M; Huber, Marcia L

    2010-04-16

    The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, which separates a complex fluid by distillation into fractions that are sampled, and for which thermodynamically consistent temperatures are measured at atmospheric pressure. The collected sample fractions can be analyzed by any method that is appropriate. The analytical methods we have applied include gas chromatography (with flame ionization, mass spectrometric and sulfur chemiluminescence detection), thin layer chromatography, FTIR, corrosivity analysis, neutron activation analysis and cold neutron prompt gamma activation analysis. By far, the most widely used analytical technique we have used with the ADC is gas chromatography. This has enabled us to study finished fuels (gasoline, diesel fuels, aviation fuels, rocket propellants), crude oils (including a crude oil made from swine manure) and waste oils streams (used automotive and transformer oils). In this special issue of the Journal of Chromatography, specifically dedicated to extraction technologies, we describe the essential features of the advanced distillation curve metrology as an analytical strategy for complex fluids. Published by Elsevier B.V.

  18. Properties of aqueous dispersion of chitosan and chondroitin sulfate complex derived from aquatic organisms

    Directory of Open Access Journals (Sweden)

    Novikov V. Yu.

    2016-09-01

    Full Text Available Investigation of production of chondroitin sulfate, chitosan and polyelectrolyte complexes based on them received from the local marine raw materials is relevant from the point of view of developing a comprehensive waste-free technology for natural raw materials processing. The objects of study are chitosan derived from the shell of the Kamchatka crab Paralithodes camtschaticus and chondroitin sulfate derived from cartilage of salmon Salmon salar. To determine the surface tension of polyelectrolyte complex solutions and dispersions the Wilhelmy method has been used, the effective radius of particle dispersion has been calculated by light scattering, measurements of effective viscosity have been carried out under shear deformation. The conditions of formation, surface and rheological properties of the chitosan and chondroitin sulfate complex extracted from aquatic organisms in the Barents Sea have been studied. Obtaining conditions and molar ratios of these polyelectrolytes in which the aqueous dispersion of the complex remains stable for a long time have been established. It has been found that by addition of chondroitin sulfate solution to chitosan solution in molar ratios of 1 : 3; 1 : 6 the dispersion of the polyelectrolyte complex stable for 2 to 3 days has been formed. The polyelectrolyte complex dispersions behave as non-Newtonian pseudoplastic liquid. When the molar ratio of the mixed solution is 1 : 1 (regardless of the sequence of mixing suspension of the polyelectrolyte complex has been formed, then there is precipitation. Equilibrium surface tension of the aqueous dispersion of the polyelectrolyte complex is higher than that of solutions of chondroitin sulfate and chitosan. The effective radius of particles in the complex dispersion has been determined. The effective radius of the particles in the complex dispersion depends on the molar ratio of chondroitin sulfate : chitosan. A qualitative scheme of formation of polyelectrolyte

  19. Synthesis, structure and luminescence properties of zinc (II) complexes with terpyridine derivatives as ligands

    International Nuclear Information System (INIS)

    Chen Xuegang; Zhou Quanguo; Cheng Yanxiang; Geng Yanhou; Ma Dongge; Xie Zhiyuan; Wang Lixiang

    2007-01-01

    Five zinc (II) complexes (1-5) with 4'-phenyl-2,2':6',2''-terpyridine (ptpy) derivatives as ligands have been synthesized and fully characterized. The para-position of phenyl in ptpy is substituted by the group (R), i.e. tert-butyl (t-Bu), hexyloxy (OHex), carbazole-9-yl (Cz), naphthalen-1-yl-phenyl-amine-N-yl (NPA) and diphenyl amine-N-yl (DPA), with different electron-donating ability. With increasing donor ability of the R, the emission color of the complexes in film was modulated from violet (392 nm) to reddish orange (604 nm). The photoexcited luminescence exhibits significant solvatochromism because the emission of the complexes involves the intra-ligand charge transfer (ILCT) excited state. The electrochemical investigations show that the complexes with stronger electro-donating substituent have lower oxidation potential and then higher HOMO level. The electroluminescence (EL) properties of these zinc (II) complexes were studied with the device structure of ITO/PEDOT/Zn (II) complex: PBD:PMMA/BCP/AlQ/LiF/Al. Complexes 3, 4 and 5 exhibit EL wavelength at 552, 600 and 609 nm with maximum current efficiency of 5.28, 2.83 and 2.00 cd/A, respectively

  20. Cyclodextrin inclusion complex to improve physicochemical properties of herbicide bentazon: exploring better formulations.

    Directory of Open Access Journals (Sweden)

    Claudia Yáñez

    Full Text Available The knowledge of the host-guest complexes using cyclodextrins (CDs has prompted an increase in the development of new formulations. The capacity of these organic host structures of including guest within their hydrophobic cavities, improves physicochemical properties of the guest. In the case of pesticides, several inclusion complexes with cyclodextrins have been reported. However, in order to explore rationally new pesticide formulations, it is essential to know the effect of cyclodextrins on the properties of guest molecules. In this study, the inclusion complexes of bentazon (Btz with native βCD and two derivatives, 2-hydroxypropyl-β-cyclodextrin (HPCD and sulfobutylether-β-cyclodextrin (SBECD, were prepared by two methods: kneading and freeze-drying, and their characterization was investigated with different analytical techniques including Fourier transform infrared spectroscopy (FT-IR, differential thermal analysis (DTA, X-ray diffractometry (XRD and differential pulse voltammetry (DPV. All these approaches indicate that Btz forms inclusion complexes with CDs in solution and in solid state, with a stoichiometry of 1:1, although some of them are obtained in mixtures with free Btz. The calculated association constant of the Btz/HPCD complex by DPV was 244±19 M(-1 being an intermediate value compared with those obtained with βCD and SBECD. The use of CDs significantly increases Btz photostability, and depending on the CDs, decreases the surface tension. The results indicated that bentazon forms inclusion complexes with CDs showing improved physicochemical properties compared to free bentazon indicating that CDs may serve as excipient in herbicide formulations.

  1. Synthesis, structure and luminescence properties of lanthanide complex with a new tetrapodal ligand featuring salicylamide arms

    International Nuclear Information System (INIS)

    Song Xueqin; Wen Xiaoguang; Liu Weisheng; Wang Daqi

    2010-01-01

    A new tetrapodal ligand 1,1,1-tetrakis{[(2'-(2-furfurylaminoformyl))phenoxyl]methyl}methane (L) has been prepared and their coordination chemistry with Ln III ions has been investigated. The structure of {[Ln 4 L 3 (NO 3 ) 12 ].H 2 O} ∞ (Ln=Nd, Eu)] shows the binodal 4,3-connected three-dimensional interpenetration coordination polymers with topology of a (8 6 ) 3 (8 3 ) 4 notation. [DyL(NO 3 ) 3 (H 2 O) 2 ].0.5CH 3 OH and [ErL(NO 3 ) 3 (H 2 O) (CH 3 OH)].CH 3 COCH 3 is a 1:1 mononuclear complex with interesting supramolecular features. The structure of [NdL(H 2 O) 6 ].3ClO 4 .3H 2 O is a 2:1 mononuclear complex which further self-assembled through hydrogen bond to form a three-dimensional supramolecular structures. The result presented here indicates that both subtle variation of the terminal group and counter anions can be applied in the modulation of the overall molecular structures of lanthanide complex of salicylamide derivatives due to the structure specialties of this type of ligand. The luminescence properties of the Eu III complex are also studied in detail. - Grapical Abstract: We present here a series of zero- to three-dimensional lanthanide coordination structures and luminescence properties of Eu(III) complex of a new tetrapodal ligand.

  2. Thermo-mechanical response of rigid plastic laminates for greenhouse covering

    Directory of Open Access Journals (Sweden)

    Silvana Fuina

    2016-09-01

    Full Text Available Innovation in the field of protected crops represents an argument of great applied and theoretical research attention due to constantly evolving technologies and automation for higher quality flower and vegetable production and to the corresponding environmental and economic impact. The aim of this paper is to provide an analysis of some thermomechanical properties of rigid polymeric laminates for greenhouses claddings, including innovative tests such as the thermographic ones. Four types of laminates have been analysed: two polycarbonates, a polymethylmethacrylate and a polyethylene terephthalate (PET. The tests gave interesting results on different important properties, such as radiometric properties, limit stresses, strains and ductility. Moreover, a direct comparison of infrared images and force elongation curves gave important information on the relation of the (localised or homogeneous damage evolution, with both an applicative and theoretical implication. Finally, even if to the authors knowledge at present there are no examples of using PET for covering greenhouses, the results of this paper indicates the thermomechanical and radiometric characteristics of this material make it interesting for agricultural applications.

  3. Global thermo-mechanical effects from a KBS-3 type repository

    International Nuclear Information System (INIS)

    Hakami, E.; Olofsson, Stig-Olof

    1998-01-01

    The objective of this study has been to identify the global thermo-mechanical effects in the bedrock hosting a nuclear waste repository. Numerical thermo-mechanical modeling using distinct element models was performed. The number of fracture zones, the heat intensity of the waste, the material properties of the rock mass and the boundary conditions of the models were varied. Different models for multi-level repositories were also analyzed and compared to the main single-level case. Further, the global influence from the excavation of repository tunnels and deposition holes was examined by introducing weaker rock mass material properties in the repository region of one model. The maximum compression stress obtained for the main model is 44 MPa and occurs at the repository level after about 100 years of deposition. Due to thermal expansion, the rock mass displaces upward, and the maximum heave at the ground surface after 1000 years is calculated to be 16 cm. In the area close to the ground surface the horizontal stresses reduce, causing the rock to yield in tension down to a depth of about 80 meters. The fracture zones show opening displacements at shallow depths and closing and shearing at the repository level. The maximum displacements are 0.3-2.5 cm for closing, 0.0-0.8 cm for opening and 0.2-2.2 cm for shearing. The resultant stresses and displacements depend in large part on the assumptions made concerning the heat intensity of the waste. In the main model, an initial heat intensity of 10 W/m 2 is assumed, which gives larger effects than the case with 6 W/m 2 . Another important input parameter for the analysis is the Young's modulus of the rock mass. In the main model, a value of 30 GPa is assumed. Higher values of Young's modulus give larger thermo-mechanical effects. All multi-level repository layouts give rise to higher temperatures than the single-level layout, causing the compressive stresses to increase more at the repository level. The multi

  4. FY15 Report on Thermomechanical Testing

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Francis D. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Buchholz, Stuart [RESPEC, Rapid City, SD (United States)

    2015-08-01

    Sandia is participating in the third phase of a United States (US)-German Joint Project that compares constitutive models and simulation procedures on the basis of model calculations of the thermomechanical behavior and healing of rock salt (Salzer et al. 2015). The first goal of the project is to evaluate the ability of numerical modeling tools to correctly describe the relevant deformation phenomena in rock salt under various influences. Among the numerical modeling tools required to address this are constitutive models that are used in computer simulations for the description of the thermal, mechanical, and hydraulic behavior of the host rock under various influences and for the long-term prediction of this behavior. Achieving this goal will lead to increased confidence in the results of numerical simulations related to the secure disposal of radioactive wastes in rock salt. Results of the Joint Project may ultimately be used to make various assertions regarding stability analysis of an underground repository in salt during the operating phase as well as long-term integrity of the geological barrier in the post-operating phase A primary evaluation of constitutive model capabilities comes by way of predicting large-scale field tests. The Joint Project partners decided to model Waste Isolation Pilot Plant (WIPP) Rooms B & D which are full-scale rooms having the same dimensions. Room D deformed under natural, ambient conditions while Room B was thermally driven by an array of waste-simulating heaters (Munson et al. 1988; 1990). Existing laboratory test data for WIPP salt were carefully scrutinized and the partners decided that additional testing would be needed to help evaluate advanced features of the constitutive models. The German partners performed over 140 laboratory tests on WIPP salt at no charge to the US Department of Energy (DOE).

  5. Structural properties and complexity of a new network class: Collatz step graphs.

    Directory of Open Access Journals (Sweden)

    Frank Emmert-Streib

    Full Text Available In this paper, we introduce a biologically inspired model to generate complex networks. In contrast to many other construction procedures for growing networks introduced so far, our method generates networks from one-dimensional symbol sequences that are related to the so called Collatz problem from number theory. The major purpose of the present paper is, first, to derive a symbol sequence from the Collatz problem, we call the step sequence, and investigate its structural properties. Second, we introduce a construction procedure for growing networks that is based on these step sequences. Third, we investigate the structural properties of this new network class including their finite scaling and asymptotic behavior of their complexity, average shortest path lengths and clustering coefficients. Interestingly, in contrast to many other network models including the small-world network from Watts & Strogatz, we find that CS graphs become 'smaller' with an increasing size.

  6. Influence of Superplasticizer-Microsilica Complex on Cement Hydration, Structure and Properties of Cement Stone

    Science.gov (United States)

    Ivanov, I. M.; Kramar, L. Ya; Orlov, A. A.

    2017-11-01

    According to the study results, the influence of complex additives based on microsilica and superplasticizers on the processes of the heat release, hydration, hardening, formation of the structure and properties of cement stone was determined. Calorimetry, derivatography, X-ray phase analysis, electronic microscopy and physical-mechanical methods for analyzing the properties of cement stone were used for the studies. It was established that plasticizing additives, in addition to the main water-reducing and rheological functions, regulate cement solidification and hardening while polycarboxylate superplasticizers even contribute to the formation of a special, amorphized microstructure of cement stone. In a complex containing microsilica and a polycarboxylate superplasticizer the strength increases sharply with a sharp drop in the capillary porosity responsible for the density, permeability, durability, and hence, the longevity of concrete. All this is a weighty argument in favor of the use of microsilica jointly with a polycarboxylate superplasticizer in road concretes operated under aggressive conditions.

  7. The practice of reflection in the russian goodwill when buying enterprises as a property complex

    OpenAIRE

    O. A. Ovchinnikova; T. O. Bazdаreva; V. N. Harina

    2016-01-01

    When buying enterprises as a property complex, firm-the buyer can pay for it as excess cost of the acquired entity on its balance sheet, and an amount less than the value of the assets on the balance sheet of the acquiree. Based on the requirements of the Russian legislation, in the account of the buyer acquires an intangible asset that distinguishes the Russian from the international practice. International financial reporting standards do not recognize goodwill an intangible asset of the bu...

  8. Preparation and Property of Acrylic Acid Rare Earth Complex and Its Hydrosilylation

    Institute of Scientific and Technical Information of China (English)

    Zhang Ming; Chen Haiyan; Chen Xiaosong; Dai Shaojun; Inoue Shinich; Okamoto Hiroshi

    2004-01-01

    Acrylic acid rare earth complex was prepared. Its chemical composition was determined by chemical and elemental analysis, and its structure as well as properties was characterized using IR, Fluorescence and UV spectrum, and its solubility was also investigated. Meanwhile a kind of elastic functional polymer with rare earth units in the side chains was produced. It is confirmed by IR spectrum that the Si-H bonds really react with acrylic acid rare earth.

  9. Complex modal properties of coupled moderately light equipment-structure systems

    International Nuclear Information System (INIS)

    Gupta, A.K.; Jaw Jingwen

    1986-01-01

    A new improved perturbation method for evaluating complex modal properties of coupled equipment-structure systems is presented. The method is applicable even when the equipment is not very light, and when the secondary system (equipment) introduces static constraint on the primary system (structure). The new method is applied to nine 8DOF coupled multiply connected equipment-structure systems. It is shown that the new method yields results which are in excellent agreement with the corresponding exact results. (orig.)

  10. Dielectric properties of some cadmium and mercury amino alcohol complexes at low temperatures

    Directory of Open Access Journals (Sweden)

    ALAA E. ALI

    2002-12-01

    Full Text Available The dielectric properties of some cadmium and mercury amino alcohol complexes were studied within the temperature range of 100–300 K at the frequencies of 100, 300 and 1000 kHz. The polarization mechanisms are suggested and the dependence of both e and tg d on both temperature and frequency are analyzed. The analysis of the data reveals semi-conducting features based mainly on the hopping mechanism.

  11. Adjoint sensitivity analysis of the thermomechanical behavior of repositories

    International Nuclear Information System (INIS)

    Wilson, J.L.; Thompson, B.M.

    1984-01-01

    The adjoint sensitivity method is applied to thermomechanical models for the first time. The method provides an efficient and inexpensive answer to the question: how sensitive are thermomechanical predictions to assumed parameters. The answer is exact, in the sense that it yields exact derivatives of response measures to parameters, and approximate, in the sense that projections of the response fo other parameter assumptions are only first order correct. The method is applied to linear finite element models of thermomechanical behavior. Extensions to more complicated models are straight-forward but often laborious. An illustration of the method with a two-dimensional repository corridor model reveals that the chosen stress response measure was most sensitive to Poisson's ratio for the rock matrix

  12. Synthesis and fluorescence properties of some difluoroboron β-diketonate complexes and composite containing PMMA

    Science.gov (United States)

    Xing, Dongye; Hou, Yanjun; Niu, Haijun

    2018-03-01

    A series of difluoroboron β-diketonate complexes, containing the indon-β-diketonate ligand carrying methyl or methoxyl substituents was synthesized. The crystal structures of the complexes were confirmed by single crystal X-ray diffraction studies. The fluorescence properties of compounds were studied in solution state, solid state and on PMMA polymer matrix. The photophysical data of compounds 2a-2d exhibited strong fluorescence and photostability under the ultraviolet light (Hg lamp). The complex 2b showed higher fluorescence intensity in solution state as compared to other complexes of the series. The complexes 2c and 2d showed higher fluorescence intensity in the solid state, which are ascribed to the stronger π-π interactions between ligands in the solid state. The introduction of methoxyl or methyl groups on the benzene rings enhanced the absorption intensity, emission intensity, quantum yields and fluorescence lifetimes due to their electron-donating nature. Furthermore, the complex 2b was doped into the PMMA to produce hybrid materials, where the PMMA matrix acted as sensitizer for the central boron ion to enhance the fluorescence emission intensity and quantum yields.

  13. Luminescent chiral ionic Ir(III) complexes: Synthesis and photophysical properties

    Energy Technology Data Exchange (ETDEWEB)

    Ricciardi, Loredana, E-mail: loredana.ricciardi@unical.it [CNR NANOTEC-Istituto di Nanotecnologia U.O.S. Cosenza, 87036 Arcavacata di Rende (CS) (Italy); La Deda, Massimo; Ionescu, Andreea; Godbert, Nicolas; Aiello, Iolinda; Ghedini, Mauro [MAT-INLAB (Laboratorio di Materiali Molecolari Inorganici), LASCAMM and CR INSTM, Unità INSTM della Calabria, Dipartimento di Chimica e Tecnologie Chimiche, Università della Calabria, 87036 Arcavacata di Rende (CS) (Italy); Fusè, Marco, E-mail: marco.fuse@unimi.it [Dipartimento di Scienze Farmaceutiche, Università di Milano, Via Golgi 19, 20133 Milano (Italy); Rimoldi, Isabella; Cesarotti, Edoardo [Dipartimento di Scienze Farmaceutiche, Università di Milano, Via Golgi 19, 20133 Milano (Italy)

    2016-02-15

    Three homologous series of luminescent octahedral ionic Ir(III) complexes (1–12) with a dual stereogenic center of general formula {sup Δ,Λ} {sup (R,S)}[(ppy){sub 2}Ir(R-campy)]X, where ppy=2-phenylpyridine, R-campy=2-methyl-5,6,7,8-tetrahydroquinolin-8-amine (Me-campy) or 8-amino-5,6,7,8-tetrahydroquinolines (H-campy) and as counterions X{sup −}=Cl{sup −} or CH{sub 3}COO{sup −} have been synthesized and characterized. The NMR characterization of each complex highlighted the diastereoisomeric purity and the absolute configuration has been confirmed by Electronic Circular Dichroism spectroscopy. The absorption and the luminescence properties of the compounds in solution and in solid state have been investigated by UV–vis, steady-state emission and time-correlated single-photon counting spectroscopy. The obtained results from the 12 compounds highlight the difficult to correlate photophysical properties in solution to the stereochemistry, while excited states decay studies of the solid state samples indicate a correlation between photophysics and packing mode which is affected by the different stereochemistry. - Highlights: • Luminescent chiral ionic Ir(III) complexes have been synthesized and characterized. • Presence in the same structure of two stereogenic centers. • Use of camphorsulfonate as resolving anion to obtain enantiomerically pure samples. • Stereoisomers produce aggregates with different emitting properties. • Lifetimes from solid samples show the presence of AIPE.

  14. Investigating long-range correlation properties in EEG during complex cognitive tasks

    International Nuclear Information System (INIS)

    Karkare, Siddharth; Saha, Goutam; Bhattacharya, Joydeep

    2009-01-01

    Previous work shows the presence of scale invariance and long-range correlations in ongoing and spontaneous activity of large scale brain responses (i.e. EEG), and such scaling behavior can also be modulated by simple sensory stimulus. However, little is known whether such alteration but not destruction in scaling properties also occurs during complex cognitive processing and if neuroplasticity plays any role in mediating such changes. In this study, we addressed these issues by investigating scaling properties of multivariate EEG signals obtained from two broad groups - artists and non-artists - while they performed complex tasks of perception and mental imagery of visual art objects. We found that brain regions showing increased correlation properties from rest were similar for both tasks, suggesting that brain networks responsible for visual perception are reactivated for mental imagery. Further, we observed that the two groups could be differentiated by scaling exponents and an artificial neural network based classifier achieved a classification efficiency of over 80%. These results altogether suggest that specific complex cognitive task demands and task-specific expertise can modify the temporal scale-free dynamics of brain responses.

  15. Investigating long-range correlation properties in EEG during complex cognitive tasks

    Energy Technology Data Exchange (ETDEWEB)

    Karkare, Siddharth [Department of Electrical Engineering, Indian Institute of Technology, Kharagpur 721302 (India); Saha, Goutam [Department of Electronics and Electrical Communication Engineering, Indian Institute of Technology, Kharagpur 721302 (India); Bhattacharya, Joydeep [Department of Psychology, Goldsmiths College, University of London, New Cross, London SE14 6NW (United Kingdom); Commission for Scientific Visualization, Austrian Academy of Sciences, Vienna A1220 (Austria)], E-mail: j.bhattacharya@gold.ac.uk

    2009-11-30

    Previous work shows the presence of scale invariance and long-range correlations in ongoing and spontaneous activity of large scale brain responses (i.e. EEG), and such scaling behavior can also be modulated by simple sensory stimulus. However, little is known whether such alteration but not destruction in scaling properties also occurs during complex cognitive processing and if neuroplasticity plays any role in mediating such changes. In this study, we addressed these issues by investigating scaling properties of multivariate EEG signals obtained from two broad groups - artists and non-artists - while they performed complex tasks of perception and mental imagery of visual art objects. We found that brain regions showing increased correlation properties from rest were similar for both tasks, suggesting that brain networks responsible for visual perception are reactivated for mental imagery. Further, we observed that the two groups could be differentiated by scaling exponents and an artificial neural network based classifier achieved a classification efficiency of over 80%. These results altogether suggest that specific complex cognitive task demands and task-specific expertise can modify the temporal scale-free dynamics of brain responses.

  16. Validating predictions made by a thermo-mechanical model of melt segregation in sub-volcanic systems

    Science.gov (United States)

    Roele, Katarina; Jackson, Matthew; Morgan, Joanna

    2014-05-01

    A quantitative understanding of the spatial and temporal evolution of melt distribution in the crust is crucial in providing insights into the development of sub-volcanic crustal stratigraphy and composition. This work aims to relate numerical models that describe the base of volcanic systems with geophysical observations. Recent modelling has shown that the repetitive emplacement of mantle-derived basaltic sills, at the base of the lower crust, acts as a heat source for anatectic melt generation, buoyancy-driven melt segregation and mobilisation. These processes form the lowermost architecture of complex sub-volcanic networks as upward migrating melt produces high melt fraction layers. These 'porosity waves' are separated by zones with high compaction rates and have distinctive polybaric chemical signatures that suggest mixed crust and mantle origins. A thermo-mechanical model produced by Solano et al in 2012 has been used to predict the temperatures and melt fractions of successive high porosity layers within the crust. This model was used as it accounts for the dynamic evolution of melt during segregation and migration through the crust; a significant process that has been neglected in previous models. The results were used to input starting compositions for each of the layers into the rhyolite-MELTS thermodynamic simulation. MELTS then determined the approximate bulk composition of the layers once they had cooled and solidified. The mean seismic wave velocities of the polymineralic layers were then calculated using the relevant Voight-Reuss-Hill mixture rules, whilst accounting for the pressure and temperature dependence of seismic wave velocity. The predicted results were then compared with real examples of reflectivity for areas including the UK, where lower crustal layering is observed. A comparison between the impedance contrasts at compositional boundaries is presented as it confirms the extent to which modelling is able to make predictions that are

  17. Structural and Spectral Properties of Curcumin and Metal- Curcumin Complex Derived from Turmeric (Curcuma longa)

    Science.gov (United States)

    Bich, Vu Thi; Thuy, Nguyen Thi; Binh, Nguyen Thanh; Huong, Nguyen Thi Mai; Yen, Pham Nguyen Dong; Luong, Tran Thanh

    Structural and spectral properties of curcumin and metal- curcumin complex derived from turmeric (Curcuma longa) were studied by SEM and vibrational (FTIR and Raman) techniques. By comparison between curcumin commercial, fresh turmeric and a yellow powder obtained via extraction and purification of turmeric, we have found that this insoluble powder in water is curcumin. The yellow compound could complex with certain ion metal and this metal-curcumin coloring complex is water soluble and capable of producing varying hues of the same colors and having antimicrobial, cytotoxicity activities for use in foodstuffs and pharmacy. The result also demonstrates that Micro-Raman spec-troscopy is a valuable non-destructive tool and fast for investigation of a natural plant even when occurring in low concentrations.

  18. Universal properties of type IIB and F-theory flux compactifications at large complex structure

    International Nuclear Information System (INIS)

    Marsh, M.C. David; Sousa, Kepa

    2016-01-01

    We consider flux compactifications of type IIB string theory and F-theory in which the respective superpotentials at large complex structure are dominated by cubic or quartic terms in the complex structure moduli. In this limit, the low-energy effective theory exhibits universal properties that are insensitive to the details of the compactification manifold or the flux configuration. Focussing on the complex structure and axio-dilaton sector, we show that there are no vacua in this region and the spectrum of the Hessian matrix is highly peaked and consists only of three distinct eigenvalues (0, 2m 3/2 2 and 8m 3/2 2 ), independently of the number of moduli. We briefly comment on how the inclusion of Kähler moduli affect these findings. Our results generalise those of Brodie & Marsh http://dx.doi.org/10.1007/JHEP01(2016)037, in which these universal properties were found in a subspace of the large complex structure limit of type IIB compactifications.

  19. Investigating the pharmacodynamic and magnetic properties of pyrophosphate-bridged coordination complexes

    Science.gov (United States)

    Ikotun, Oluwatayo (Tayo) F.

    The multidentate nature of pyrophosphate makes it an attractive ligand for complexation of metal cations. The participation of pyrophosphate in a variety of biological pathways and its metal catalyzed hydrolysis has driven our investigation into its coordination chemistry. We have successfully synthesized a library of binuclear pyrophosphate bridge coordination complexes. The problem of pyrophosphate hydrolysis to phosphate in the presence of divalent metal ions was overcome by incorporating capping ligands such as 1,10-phenanthroline and 2,2'-bipyridine prior to the addition of the pyrophosphate. The magnetic properties of these complexes was investigated and magneto-structural analysis was conducted. The biological abundance of pyrophosphate and the success of metal based drugs such as cisplatin, prompted our investigation of the cytotoxic properties of M(II) pyrophosphate dimeric complexes (where M(II) is CoII, CuII, and NiII) in adriamycin resistant human ovarian cancer cells. Thess compounds were found to exhibit toxicity in the nanomolar to picomolar range. We conducted in vitro stability studies and the mechanism of cytoxicity was elucidated by performing DNA mobility and binding assays, enzyme inhibition assays, and in vitro oxidative stress studies.

  20. Thermo-mechanical analysis of PWR bolts susceptible to IASCC

    International Nuclear Information System (INIS)

    Matteoli, C.; Hannink, M.H.C.; Blom, F.J.; Marck, S.C. van der; Charpin-Jacobs, F.

    2015-01-01

    Irradiation Assisted Stress Corrosion Cracking (IASCC) is considered a primary ageing issue for the Reactor Pressure Vessel (RPV) internals of Pressurized Water Reactors (PWR). In particular, this complex phenomenon which develops in an environment featuring thermal and mechanical stresses, interaction with corrosive compounds and irradiation, is affecting the bolts connecting the baffles and the formers in the Nuclear Power Plants' RPVs. The baffle-former assembly is the structure that borders the fuel assemblies region, contributing to keep them in position and separating in the radial direction, the core region from the downcomer region. An evaluation of the stresses and temperatures reached in the baffle-former bolts during normal operation was performed by means of a coupled thermo-mechanical study which uses reactor physics calculations to obtain the fluence in the reactor core and as a consequence the heat deposition in the RPV internals. The heat deposition data are coupled with a finite element model of the bolts and the RPV internals in order to perform a complete analysis taking in account thermal, mechanical and radiation loadings. The study is first carried out focusing on a section of the RPV internals, showing a single row of baffle-former bolts. Then the work is extended to the full core height. The model set up in this work, includes an in-depth study of the behavior of the core internals, in particular baffle-former bolts. The model has the capability of understanding the mechanical and thermal behavior of essential internal components in a PWR. (authors)

  1. Effect of complexing agent on the photoelectrochemical properties of bath deposited CdS thin films

    International Nuclear Information System (INIS)

    Patil, S.B.; Singh, A.K.

    2010-01-01

    In the present paper photoelectrochemical (PEC) performance of bath deposited CdS thin films based on complexing agents i.e. ammonia and triethanolamine (TEA) has been discussed. Effect of annealing has also been analyzed. The as-deposited and annealed (at 523 K for 1 h in air) films were characterized by X-ray diffraction (XRD), ultraviolet-visible (UV-vis) absorption spectroscopy, SEM, electrochemical impedance spectroscopy (EIS), and PEC properties. XRD studies revealed that the films were nanocrystalline in nature with mixed hexagonal and cubic phases. TEA complex resulted in better crystallinity. Further improvement in the crystallinity of the films was observed after air annealing. The marigold flower-like structure, in addition to flakes morphology, was observed with TEA complex, whereas for ammonia complex only flakes morphology was observed. The UV-vis absorption studies revealed that the optical absorption edge for the films with ammonia and TEA complex was around 475 nm and 500 nm, respectively. Annealing of the films resulted in red shift in the UV-vis absorption. The PEC cell performance of CdS films was found to be strongly affected by crystallinity and morphology of the films resulted due to complexing agent and annealing. The air annealed film deposited using TEA complex showed maximum short circuit current density (J sc ) and open circuit voltage (V oc ) i.e. 99 μA/cm 2 and 376 mV respectively, under 10 mW/cm 2 of illumination. The films deposited using TEA complex showed good stability under PEC cell conditions.

  2. Physico-chemical properties of modified inter-polymer complexes and composites

    International Nuclear Information System (INIS)

    Khafizov, M.M.

    2004-01-01

    Full text: Inter-polymer complexes (IC) are rather perspective and can occupy the important place in technology of materials, as find out a number of the most valuable properties. In essence, they are new polymeric materials with a complex of new qualities and operational characteristics. In the present work the influence of a nature and structure of cooperating components both on structure, and on properties of received final products is investigated. It is shown new opportunities of use of the IC for reception composite materials formed IC on the physical properties, rather close to amorphous compounds. The opportunity of reception polymeric composite materials with the given properties and structure is shown; the purposeful regulation of process of hardening inter-polymeric composite materials with disperse fillers of a various nature and contents is established. The properties of such composite materials are determined by amount of entered components, both their distribution and chemical nature of a filler, that allows to increase stability properties in 2.5-3 times. By using phenomenological analysis of the contact phenomena the differential equations are made which are used for the analysis of VAC sandwich-structures metal-IC-metal. In a range of voltage V=0 -1 -10 2 V the experimental VAC are described by dependences close to Ohmic J∼V n , n=1. It is shown that the presence of breaks σ=f(T) at temperature ∼ 300 K specifies on ionic character of conductivity of samples. The chemical resistance of inter-polymeric composites in relation to water, to a solution of NaCl and 'to aggressive environment' is comprehensively characterized. The optimum degree of filling of the fillers Cv=2-3 is determined at a specific surface of fillers 0.2-0.3 m 2 /g

  3. A FEM-based method to determine the complex material properties of piezoelectric disks.

    Science.gov (United States)

    Pérez, N; Carbonari, R C; Andrade, M A B; Buiochi, F; Adamowski, J C

    2014-08-01

    Numerical simulations allow modeling piezoelectric devices and ultrasonic transducers. However, the accuracy in the results is limited by the precise knowledge of the elastic, dielectric and piezoelectric properties of the piezoelectric material. To introduce the energy losses, these properties can be represented by complex numbers, where the real part of the model essentially determines the resonance frequencies and the imaginary part determines the amplitude of each resonant mode. In this work, a method based on the Finite Element Method (FEM) is modified to obtain the imaginary material properties of piezoelectric disks. The material properties are determined from the electrical impedance curve of the disk, which is measured by an impedance analyzer. The method consists in obtaining the material properties that minimize the error between experimental and numerical impedance curves over a wide range of frequencies. The proposed methodology starts with a sensitivity analysis of each parameter, determining the influence of each parameter over a set of resonant modes. Sensitivity results are used to implement a preliminary algorithm approaching the solution in order to avoid the search to be trapped into a local minimum. The method is applied to determine the material properties of a Pz27 disk sample from Ferroperm. The obtained properties are used to calculate the electrical impedance curve of the disk with a Finite Element algorithm, which is compared with the experimental electrical impedance curve. Additionally, the results were validated by comparing the numerical displacement profile with the displacements measured by a laser Doppler vibrometer. The comparison between the numerical and experimental results shows excellent agreement for both electrical impedance curve and for the displacement profile over the disk surface. The agreement between numerical and experimental displacement profiles shows that, although only the electrical impedance curve is

  4. Thermo-mechanical modeling of laser treatment on titanium cold-spray coatings

    Science.gov (United States)

    Paradiso, V.; Rubino, F.; Tucci, F.; Astarita, A.; Carlone, P.

    2018-05-01

    Titanium coatings are very attractive to several industrial fields, especially aeronautics, due to the enhanced corrosion resistance and wear properties as well as improved compatibility with carbon fiber reinforced plastic (CFRP) materials. Cold sprayed titanium coatings, among the others deposition processes, are finding a widespread use in high performance applications, whereas post-deposition treatments are often used to modify the microstructure of the cold-sprayed layer. Laser treatments allow one to noticeably increase the superficial properties of titanium coatings when the process parameters are properly set. On the other hand, the high heat input required to melt titanium particles may result in excessive temperature increase even in the substrate. This paper introduces a thermo-mechanical model to simulate the laser treatment effects on a cold sprayed titanium coating as well as the aluminium substrate. The proposed thermo-mechanical finite element model considers the transient temperature field due to the laser source and applied boundary conditions using them as input loads for the subsequent stress-strain analysis. Numerical outcomes highlighted the relevance of thermal gradients and thermally induced stresses and strains in promoting the damage of the coating.

  5. Far-field thermomechanical response of argillaceous rock to emplacement of a nuclear-waste repository

    International Nuclear Information System (INIS)

    McVey, D.F.; Thomas, R.K.; Lappin, A.R.

    1980-08-01

    Before heat-producing wastes can be emplaced safely in any argillaceous rock, it will be necessary to understand the far-field thermal and thermomechanical response of this rock to waste emplacement. This report presents the results of a first series of calculations aimed at estimating the far-field response of argillite to waste emplacement. Because the thermal and mechanical properties of argillite are affected by its content of expandable clay, its behavior is briefly compared and contrasted with that of a shale having the same matrix thermal properties, but containing no expandable clay. Under this assumption, modeled temperatures are the same for the two rock types at equivalent power densities and reflect the large dependence of in-situ temperatures on both initial power density and waste type. Thermomechanical calculations indicate that inclusion of contraction behavior of expandable clays in the assumed argillite thermal expansion behavior results, in some cases, in generation of a large zone in and near the repository that has undergone volumetric contraction but is surrounded by uniformly compressive stresses. Information available to date indicates that this contraction would likely result in locally increased fluid permeability and decreased in-situ thermal conductivity, but might well be advantageous as regards radionuclide retention, because of the increased surface area within the contracted zone. Assumption of continuous and positive expansion behavior for the shale eliminates the near-repository contraction and tensional zones, but results in near-surface tensional zones directly above the repository

  6. Thermo-mechanical analysis of FG nanobeam with attached tip mass: an exact solution

    Science.gov (United States)

    Ghadiri, Majid; Jafari, Ali

    2016-12-01

    Present disquisition proposes an analytical solution method for exploring the vibration characteristics of a cantilever functionally graded nanobeam with a concentrated mass exposed to thermal loading for the first time. Thermo-mechanical properties of FGM nanobeam are supposed to change through the thickness direction of beam based on the rule of power-law (P-FGM). The small-scale effect is taken into consideration based on nonlocal elasticity theory of Eringen. Linear temperature rise (LTR) through thickness direction is studied. Existence of centralized mass in the free end of nanobeam influences the mechanical and physical properties. Timoshenko beam theory is employed to derive the nonlocal governing equations and boundary conditions of FGM beam attached with a tip mass under temperature field via Hamilton's principle. An exact solution procedure is exploited to achieve the non-dimensional frequency of FG nanobeam exposed to temperature field with a tip mass. A parametric study is led to assess the efficacy of temperature changes, tip mass, small scale, beam thickness, power-law exponent, slenderness and thermal loading on the natural frequencies of FG cantilever nanobeam with a point mass at the free end. It is concluded that these parameters play remarkable roles on the dynamic behavior of FG nanobeam subjected to LTR with a tip mass. The results for simpler states are confirmed with known data in the literature. Presented numerical results can serve as benchmarks for future thermo-mechanical analyses of FG nanobeam with tip mass.

  7. A Simple FEM Formulation Applied to Nonlinear Problems of Impact with Thermomechanical Coupling

    Directory of Open Access Journals (Sweden)

    João Paulo de Barros Cavalcante

    Full Text Available Abstract The thermal effects of problems involving deformable structures are essential to describe the behavior of materials in feasible terms. Verifying the transformation of mechanical energy into heat it is possible to predict the modifications of mechanical properties of materials due to its temperature changes. The current paper presents the numerical development of a finite element method suitable for nonlinear structures coupled with thermomechanical behavior; including impact problems. A simple and effective alternative formulation is presented, called FEM positional, to deal with the dynamic nonlinear systems. The developed numerical is based on the minimum potential energy written in terms of nodal positions instead of displacements. The effects of geometrical, material and thermal nonlinearities are considered. The thermodynamically consistent formulation is based on the laws of thermodynamics and the Helmholtz free-energy, used to describe the thermoelastic and the thermoplastic behaviors. The coupled thermomechanical model can result in secondary effects that cause redistributions of internal efforts, depending on the history of deformation and material properties. The numerical results of the proposed formulation are compared with examples found in the literature.

  8. Thermomechanical behavior modeling and experimental validation of polymer-wound composite multi-layers. Hydrogen storage application

    International Nuclear Information System (INIS)

    Gentilleau, Benoit

    2012-01-01

    The purpose of this research is to study the thermomechanical behavior of the constituent materials of a type IV hydrogen storage tank: a composite, ensuring the strength, is wound around the polyurethane liner that ensures sealing of the tank and thermal insulation; at the extremities, stainless steel parts are used to allow the process connection. In this type of tank, during filling, there is a significant increase in hydrogen temperature, resulting in a gradual heating of the structure and the presence of temperature gradients. The purpose of this study is primarily to characterize the behavior of such a structure when subjects to complex thermomechanical loading. Initially, mechanical and thermal characterization tests have been made over the service life range of temperature of the tank to obtain the necessary data for the realization of a thermomechanical numerical model. Then, a behavior law of the composite, easily transferable to a complex structure such as the whole tank and taking into account the non-linearity, the matrix damage, the progressive loss of shear modulus, and the thermo-dependence of the materials parameters, is developed. The tests on technological representative specimens have been performed to better understand the mechanisms that can appear in the tank and to validate the model. Finally, a numerical study of a tank was performed. The coupled influence of temperature and damage matrix on the behavior of this structure is analyzed. (author)

  9. Structural, optical and electrical properties of europium picrate tetraethylene glycol complex as emissive material for OLED

    Energy Technology Data Exchange (ETDEWEB)

    Kusrini, Eny, E-mail: ekusrini@che.ui.ac.id [Department of Chemical Engineering, Faculty of Engineering, Universitas Indonesia, 16424 Depok (Indonesia); Saleh, Muhammad I.; Adnan, Rohana [School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang (Malaysia); Yulizar, Yoki [Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Indonesia, 16424 Depok (Indonesia); Sha Shiong, Ng; Fun, H.K. [School of Physics, Universiti Sains Malaysia, 11800 Penang (Malaysia); Adhha Abdullah, M.A.; Mamat, Mazidah [Department of Chemical Sciences, Faculty of Science and Technology, Universiti Malaysia Terengganu, 21030 Kuala Terengganu, Terengganu Darul Iman (Malaysia); Za' aba, N.K.; Abd. Majid, W.H. [Solid State Research Laboratory, Department of Physics, Universiti Malaya, 50603 Kuala Lumpur (Malaysia)

    2012-01-15

    A new europium complex [Eu(Pic){sub 2}(H{sub 2}O)(EO4)](Pic).0.75H{sub 2}O was synthesized and used as the emission material for the single layer device structure of ITO/EO4-Eu-Pic/Al, using a spin-coating technique. Study on the optical properties of the [Eu(Pic){sub 2}(H{sub 2}O)(EO4)](Pic).0.75H{sub 2}O complex where EO4=tetraethylene glycol and Pic=picrate anion, had to be undertaken before being applicable to the study of an organic light emitting diode (OLED). The electrical property of an OLED using current-voltage (I-V) measurement was also studied. In complex, the Eu(III) ion was coordinated with the EO4 ligand as a pentadentate mode, one water molecule, and with two Pic anions as bidentate and monodentate modes, forming a nine-coordination number. The photoluminescence (PL) spectra of the crystalline complex in the solid state and its thin film showed a hypersensitive peak at 613.5-614.9 nm that assigned to the {sup 5}D{sub 0}{yields}{sup 7}F{sub 2} transition. A narrow band emission from the thin film EO4-Eu-Pic was obtained. The typical semiconductor I-V curve of device ITO/EO4-Eu-Pic/Al showed the threshold and turn on voltages at 1.08 and 4.6 V, respectively. The energy transfer process from the ligand to the Eu(III) ion was discussed by investigating the excitation and PL characteristics. Effect of the picrate anion on the device performance was also studied. - Highlights: > The [Eu(Pic){sub 2}(H{sub 2}O)(EO4)](Pic).0.75(H{sub 2}O) is crystallized in triclinic with space group P-1. > The complex is applied as a emissive center in single layer device structure of ITO/EO4-Eu-Pic/Al. > The complex displays a red luminescence in both the crystalline complex and its thin film state. > The low turn on voltage of the device (4.6 V), indicating that this material is suitable for OLED. > The roughness and morphology of the thin film affects luminance and electrical properties of OLED.

  10. 3D Thermo-Mechanical Models of Plume-Lithosphere Interactions: Implications for the Kenya rift

    Science.gov (United States)

    Scheck-Wenderoth, M.; Koptev, A.; Sippel, J.

    2017-12-01

    We present three-dimensional (3D) thermo-mechanical models aiming to explore the interaction of an active mantle plume with heterogeneous pre-stressed lithosphere in the Kenya rift region. As shown by the recent data-driven 3D gravity and thermal modeling (Sippel et al., 2017), the integrated strength of the lithosphere for the region of Kenya and northern Tanzania appears to be strongly controlled by the complex inherited crustal structure, which may have been decisive for the onset, localization and propagation of rifting. In order to test this hypothesis, we have performed a series of ultra-high resolution 3D numerical experiments that include a coupled mantle/lithosphere system in a dynamically and rheologically consistent framework. In contrast to our previous studies assuming a simple and quasi-symmetrical initial condition (Koptev et al., 2015, 2016, 2017), the complex 3D distribution of rock physical properties inferred from geological and geophysical observations (Sippel et al., 2017) has been incorporated into the model setup that comprises a stratified three-layer continental lithosphere composed of an upper and lower crust and lithospheric mantle overlaying the upper mantle. Following the evidence of the presence of a broad low-velocity seismic anomaly under the central parts of the East African Rift system (e.g. Nyblade et al, 2000; Chang et al., 2015), a 200-km radius mantle plume has been seeded at the bottom of a 635 km-depth model box representing a thermal anomaly of 300°C temperature excess. In all model runs, results show that the spatial distribution of surface deformation is indeed strongly controlled by crustal structure: within the southern part of the model box, a localized narrow zone stretched in NS direction (i.e. perpendicularly to applied far-field extension) is aligned along a structural boundary within the lower crust, whereas in the northern part of the model domain, deformation is more diffused and its eastern limit coincides with

  11. Numerical characterization of thermo-mechanical performance of breeder pebble beds

    International Nuclear Information System (INIS)

    An, Zhiyong; Ying, Alice; Abdou, Mohamed

    2008-01-01

    A numerical approach using the discrete element method (DEM) has been applied to study the thermo-mechanical properties of ceramic breeder pebble beds. This numerical scheme is able to predict the inelastic behavior observed in a loading and unloading operation. In addition, it demonstrates that the average value of contact force increases linearly with overall pressure, but at a much faster rate, about 3.4 times the overall pressure increase rate. In this paper, the thermal creep properties of two different ceramic breeder pebble materials, Li 4 SiO 4 and Li 2 O, are also examined by the current numerical code. The difference found in the properties of candidate materials is reflected numerically in the overall strain in the pebble bed when the stress magnitude becomes smaller. (author)

  12. Numerical characterization of thermo-mechanical performance of breeder pebble beds

    International Nuclear Information System (INIS)

    An, Zhiyong; Ying, Alice; Abdou, Mohamed

    2007-01-01

    A numerical approach using the discrete element method (DEM) has been applied to study the thermo-mechanical properties of ceramic breeder pebble beds. This numerical scheme is able to predict the inelastic behavior observed in a loading and unloading operation. In addition, it demonstrates that the average value of contact force increases linearly with overall pressure, but at a much faster rate, about 3.4 times the overall pressure increase rate. In this paper, the thermal creep properties of two different ceramic breeder pebble materials, Li 4 SiO 4 and Li 2 O, are also examined by the current numerical code. The difference found in the properties of candidate materials is reflected numerically in the overall strain in the pebble bed when the stress magnitude becomes smaller

  13. Thermo-mechanical design of the SINGAP accelerator grids for ITER NB Injectors

    International Nuclear Information System (INIS)

    Agostinetti, P.; Dal Bello, S.; Palma, M.D.; Zaccaria, P.

    2006-01-01

    The SINGle Aperture - SINgle GAP (SINGAP) accelerator for ITER neutral beam injector foresees four grids for the extraction and acceleration of negative ions, instead of the seven grids of the Multi Aperture Multi Grid (MAMuG) reference configuration. Optimized geometry of the SINGAP grids (plasma, extraction, pre-acceleration, and grounded grid) was identified by CEA Association considering specific requirements for ions extraction and beam generation referring to experimental data and code simulations. This paper focuses on the thermo-hydraulic and thermo-mechanical design of the grids carried out by Consorzio RFX for the design of the first ITER NB Injector and the ITER NB Test Facility. The cooling circuit design (position and shape of the channels) and the cooling parameters (water coolant temperatures, pressure and velocity) were optimized with thermo-hydraulic and thermo-mechanical sensitivity analyses in order to satisfy the grid functional requirements (temperatures, in plane and out of plane deformations). A complete and detailed thermo-structural design assessment of the SINGAP grids was accomplished applying the structural design rules for ITER in-vessel components and considering both the reference load conditions and the maximum load provided by the power supplies. The design required a complete modelling of the grids and their support frames by means of 3D FE and CAD models. The grids were finally integrated with the support and cooling systems inside the beam source vessel. The main results of the thermo-hydraulic and thermo-mechanical analyses are presented. The open issues are then reported, mainly regarding the material properties characterization (static and fatigue tests) and the qualification of technologies for OFHC copper electro-deposition, brazing, and welding of heterogeneous materials. (author)

  14. Thermomechanical Modelling of Direct-Drive Friction Welding Applying a Thermal Pseudo Mechanical Model for the Generation of Heat

    DEFF Research Database (Denmark)

    Sonne, Mads Rostgaard; Hattel, Jesper Henri

    2018-01-01

    In the present work a 2D a xisymmetric thermomechanical model of the direct-drive friction welding process is developed, taking the temperature dependent shear yield stress into account in the description of the heat generation, utilizing a recent thermal pseudo mechanical model originally...... developed for the friction stir welding (FSW) process. The model is implemented in ABAQUS/Explicit via a subroutine. The application in this case is joining of austenitic stainless steel rods with an outer diameter of 112 mm, used for manufacturing of exhaust gas valves for large two stroke marine engines....... The material properties in terms of the temperature dependent flowstress curves used both in the thermal and the mechanical constitutive description are extracted from compression tests performed between 20 °C and 1200 °C on a Gleeble 1500 thermomechanical simulator. Comparison between measured and simulated...

  15. Thermo-mechanical efficiency of the bimetallic strip heat engine at the macro-scale and micro-scale

    International Nuclear Information System (INIS)

    Arnaud, A; Boughaleb, J; Monfray, S; Boeuf, F; Skotnicki, T; Cugat, O

    2015-01-01

    Bimetallic strip heat engines are energy harvesters that exploit the thermo-mechanical properties of bistable bimetallic membranes to convert heat into mechanical energy. They thus represent a solution to transform low-grade heat into electrical energy if the bimetallic membrane is coupled with an electro-mechanical transducer. The simplicity of these devices allows us to consider their miniaturization using MEMS fabrication techniques. In order to design and optimize these devices at the macro-scale and micro-scale, this article proposes an explanation of the origin of the thermal snap-through by giving the expressions of the constitutive equations of composite beams. This allows us to evaluate the capability of bimetallic strips to convert heat into mechanical energy whatever their size is, and to give the theoretical thermo-mechanical efficiencies which can be obtained with these harvesters. (paper)

  16. Antimicrobial and thermal properties of metal complexes of grafted fabrics with acrylic acid by gamma irradiation

    International Nuclear Information System (INIS)

    Hassan, M.S.; Attia, R.M.; Zohdy, M.H.; Khalil, E.M.

    2009-01-01

    Cotton, cotton/ ET blend and PET fabrics were treated against microbial effect by radiation -induced grafting of acrylic acid followed by metal complexation with some divalent transition metal ions like Co (l l), Ni(l l) and Cu(l l).The microbial resistance was evaluated by testing the mechanical properties of the treated fabrics after burring for one and two weeks in a moist soil reach with microorganisms. Also, the structural damage of the fabrics caused by biodegradation was examined by scanning electron microscope (SEM). Moreover, the effect of this treatment on the thermal decomposition behaviour was investigated by thermogravimetric analysis (TGA). On the basis of microbial studies, it was found that the metal complexation of the grafted fabrics with acrylic acid enhanced the microbial resistance of the fabrics and the microbial resistance could be arranged according to the complexed metal ions as follows: copper> nickel> cobalt. Also, the thermal stability of different fabrics could be arranged as follow: grafted fabrics complexes with Cu (l l) grafted fabrics complexes with Co (l l)

  17. Antimicrobial and Thermal Properties of Metal Complexes of Grafted Fabrics with Acrylic Acid by Gamma Irradiation

    International Nuclear Information System (INIS)

    Hassan, M.S.; Attia, R.M.; Zohdy, M.H.

    2008-01-01

    Cotton, cotton/PET blend and PET fabrics were treated against microbial effect by radiation - induced grafting of acrylic acid followed by metal complexation with some divalent transition metal ions Co (II), Ni (II) and Cu (II). The microbial resistance was evaluated by testing the mechanical properties of the treated fabrics after burring for one and two weeks in a moist soil reach with microorganisms. Also, the growth of microorganisms was examined by scanning electron microscope (SEM). Moreover, the effect of this treatment on the thermal decomposition behavior was investigated by thermogravimetric analysis (TGA). On the basis of microbial studies, it was found that the metal complexation of the grafted fabrics with acrylic acid enhanced the antimicrobial resistance of the fabrics and the antimicrobial resistance could be arranged according to the metal ions as follows: copper> nickel> cobalt. Also, the thermal stability of different fabrics could be arranged as follow: grafted fabrics complexed with Cu (II) > grafted fabrics complexed with Ni (II) > grafted fabrics complexed with Co (II)

  18. Effect of thermomechanical treatment on mechanical properties and ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. The CuCrZr alloy undergoes processes of precipitation during ageing. Besides precipitation hardening the strength is affected by cold deformation which is performed before and after ageing. The cold deformation (D1) before ageing accelerates the process of strength hardening, since it induces higher.

  19. Neutron irradiation effect on thermomechanical properties of shape memory alloys

    International Nuclear Information System (INIS)

    Abramov, V.Ya.; Ionajtis, R.R.; Kotov, V.V.; Loguntsev, E.N.; Ushakov, V.P.

    1996-01-01

    Alloys of Ti-Ni, Ti-Ni-Pd, Fe-Mn-Si, Mn-Cu-Cr, Mn-Cu, Cu-Al-Mn, Cu-Al-Ni systems are investigated after irradiation in IVV-2M reactor at various temperatures with neutron fluence of 10 19 - 10 20 cm -2 . The degradation of shape memory effect in titanium nickelide base alloys is revealed after irradiation. Mn-Cu and Mn-Cu-Cr alloys show the best results. Trends in shape memory alloy behaviour depending on irradiation temperature are found. A consideration is given to the possibility of using these alloys for components of power reactor control and protection systems [ru

  20. Time-dependent density functional theory study of the luminescence properties of gold phosphine thiolate complexes.

    Science.gov (United States)

    Guidez, Emilie B; Aikens, Christine M

    2015-04-09

    The origin of the emission of the gold phosphine thiolate complex (TPA)AuSCH(CH3)2 (TPA = 1,3,5-triaza-7-phosphaadamantanetriylphosphine) is investigated using time-dependent density functional theory (TDDFT). This system absorbs light at 3.6 eV, which corresponds mostly to a ligand-to-metal transition with some interligand character. The P-Au-S angle decreases upon relaxation in the S1 and T1 states. Our calculations show that these two states are strongly spin-orbit coupled at the ground state geometry. Ligand effects on the optical properties of this complex are also discussed by looking at the simple AuP(CH3)3SCH3 complex. The excitation energies differ by several tenths of an electronvolt. Excited state optimizations show that the excited singlet and triplet of the (TPA)AuSCH(CH3)2 complex are bent. On the other hand, the Au-S bond breaks in the excited state for the simple complex, and TDDFT is no longer an adequate method. The excited state energy landscape of gold phosphine thiolate systems is very complex, with several state crossings. This study also shows that the formation of the [(TPA)AuSCH(CH3)2]2 dimer is favorable in the ground state. The inclusion of dispersion interactions in the calculations affects the optimized geometries of both ground and excited states. Upon excitation, the formation of a Au-Au bond occurs, which results in an increase in energy of the low energy excited states in comparison to the monomer. The experimentally observed emission of the (TPA)AuSCH(CH3)2 complex at 1.86 eV cannot be unambiguously assigned and may originate from several excited states.

  1. Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex

    Energy Technology Data Exchange (ETDEWEB)

    Tamer, Ömer, E-mail: omertamer@sakarya.edu.tr; Avcı, Davut; Atalay, Yusuf

    2015-11-15

    A cobalt(II) complex of picolinate was synthesized, and its structure was fully characterized by the applying of X-ray diffraction method as well as FT-IR, FT-Raman and UV–vis spectroscopies. In order to both support the experimental results and convert study to more advanced level, density functional theory calculations were performed by using B3LYP level. Single crystal X-ray structural analysis shows that cobalt(II) ion was located to the center of distorted octahedral geometry. The C=O, C=C and C=N stretching vibrations were found as highly active and strong peaks, inducing the molecular charge transfer within Co(II) complex. The small energy gap between frontier molecular orbital energies was another indicator of molecular charge transfer interactions within Co(II) complex. The nonlinear optical properties of Co(II) complex were investigated at DFT/B3LYP level, and the hypepolarizability parameter was found to be decreased due to the presence of inversion symmetry. The natural bond orbital (NBO) analysis was performed to investigate molecular stability, hyperconjugative interactions, intramolecular charge transfer (ICT) and bond strength for Co(II) complex. Finally, molecular electrostatic potential (MEP) and spin density distributions for Co(II) complex were evaluated. - Highlights: • Co(II) complex of picolinate was prepared. • Its FT-IR, FT-Raman and UV–vis spectra were measured. • DFT calculations were performed to support experimental results. • Small HOMO-LUMO energy gap is an indicator of molecular charge transfer. • Spin density localized on Co(II) as well as O and N atoms.

  2. Synthesis and optical properties of enantiomeric cinchonidine/cinchonine-terpyridine derivatives and their metal complexes

    International Nuclear Information System (INIS)

    Wang, Hui-Ting; Wu, Wen-Jie; Liu, Jiang; Chen, Meng; Qian, Dong-Jin; Zhang, Li; Liu, Minghua

    2016-01-01

    We report here the synthesis and spectroscopic properties of two enantiomeric chiral tridentate ligands (TPyCCD and TPyCCN) composed of terpyridine (TPy) and cinchonidine (CCD) or cinchonine (CCN) substituent, as well as their metal complexes with Zn 2+ , Fe 2+ , Eu 3+ , and Tb 3+ ions. For the pure ligands, the fluorescent emission intensity increased as their concentrations increased in the dilute solutions, but they decreased when the concentrations were greater than 6.9×10 −6 mol/l due to concentration quenching. No significant influence on ligand luminescence was observed for the Zn 2+ /Fe 2+ –TPyCCD and –TPyCCN metal complexes. Their lanthanide (Eu 3+ and Tb 3+ ) complexes displayed both ligand and lanthanide ion emissions, suggesting that the excited energy of both ligands could be transferred to the central Eu 3+ and Tb 3+ ions. Mirror-image circular dichroism spectra were recorded, with several signals centered at about 230, 250–270, 296, and 320 nm; the first ones corresponded to the chiral CCD and CCN substituents, while the latter ones corresponded to the TPy substituent and the metal–TPy (M-TPy) coordination units. It is suggested that the chirality of TPy and the metal complexes was induced by the coexisting chiral CCD and CCN substituents. In addition, due to formation of the metal complexes, the relative intensity of the chiral signals of M–TPy coordination units was enhanced at about 320 nm. - Highlights: • Cinchona alkaloid-terpyridine derivatives and metal complexes were prepared. • Cinchona alkaloid-terpyridine derivatives gave off luminescence at 362 nm. • Ligand excited energy could efficiently transferred to lanthanide ions. • Chirality of terpyridine and metal complexes was induced.

  3. Modelling of the thermomechanical behaviour of salt rock

    International Nuclear Information System (INIS)

    Albers, G.; Graefe, V.; Korthaus, E.; Pudewillis, A.; Prij, J.

    1986-01-01

    The modelling of the thermomechanical behaviour of salt rock is examined, with respect to the disposal of radioactive waste in salt formations. The calculation methods and programmes currently available for the modelling are described. Some examples are given of calculations carried out in parallel with tests. Some results of modelling calculations for a repository are presented by way of illustration. (U.K.)

  4. Enhanced thermo-mechanical performance and strain-induced ...

    Indian Academy of Sciences (India)

    Enhanced thermo-mechanical performance and strain-induced band gap reduction of TiO2@PVC nanocomposite films ... School of Chemical Engineering, Yeungnam University, Gyeongsan 712-749, Republic of Korea; School of Mechanical Engineering, Yeungnam University, Gyeongsan 712-749, Republic of Korea ...

  5. Prediction of thermo-mechanical reliability of wafer backend processes

    NARCIS (Netherlands)

    Gonda, V.; Toonder, den J.M.J.; Beijer, J.G.J.; Zhang, G.Q.; van Driel, W.D.; Hoofman, R.J.O.M.; Ernst, L.J.

    2004-01-01

    More than 65% of IC failures are related to thermal and mechanical problems. For wafer backend processes, thermo-mechanical failure is one of the major bottlenecks. The ongoing technological trends like miniaturization, introduction of new materials, and function/product integration will increase

  6. Prediction of thermo-mechanical integrity of wafer backend processes

    NARCIS (Netherlands)

    Gonda, V.; Toonder, den J.M.J.; Beijer, J.G.J.; Zhang, G.Q.; Hoofman, R.J.O.M.; Ernst, L.J.; Ernst, L.J.

    2003-01-01

    More than 65% of IC failures are related to thermal and mechanical problems. For wafer backend processes, thermo-mechanical failure is one of the major bottlenecks. The ongoing technological trends like miniaturization, introduction of new materials, and function/product integration will increase

  7. Thermomechanical Morphology of Peas and Its Relation to Fracture Behaviour

    NARCIS (Netherlands)

    Pelgrom, P.J.M.; Schutyser, M.A.I.; Boom, R.M.

    2013-01-01

    Milling and subsequent air classification can be exploited for production of functional protein-enriched fractions from legumes and grains. Fracture behaviour is of large relevance to optimal disentanglement of protein and starch and is determined by the thermomechanical morphology of the seeds.

  8. Ligand influences on properties of uranium coordination complexes. Structure, reactivity, and spectroscopy

    International Nuclear Information System (INIS)

    Kosog, Boris

    2012-01-01

    In this thesis several different aspects of uranium chemistry are presented. It was shown that terminal uranium(V) oxo and imido complexes [(( R ArO) 3 tacn)U V (O)] and [(( R ArO) 3 tacn)U V (NSiMe 3 )] (R = t Bu, Ad) can be oxidized by silver(I) hexafluoro-antimonate to the uranium(VI) oxo and imido complexes [(( R ArO) 3 tacn)U VI (O)]SbF 6 and [(( R ArO) 3 tacn)U VI (NSiMe 3 )]SbF 6 . While for the t Bu-derivative of the oxo complex an equatorial coordination is observed due to stabilization by the inverse trans-influence, normal axial coordination is observed for the Ad-derivative and both imido complexes. The inverse trans-influence was thus proven to be a key factor for the coordination mode of a terminal ligand on high valent uranium complexes. L III XANES was shown to be a great tool for the determination of oxidation states of uranium complexes. Therefore, a series of uranium complexes in all stable oxidation states for uranium, +III to +VI was prepared, and their spectra analyzed. All compounds bear only O-donor ligands in addition to the chlating trisaryloxide-tacn-ligand. A separation of 1.5 to 3 eV in the white line energy is observed between the different oxidation states. This series can be used as reference for compounds, where oxidation state assignment is not obvious, such as a ketyl radical complex [(( t-Bu Ar)O 3 tacn)U(O-C( t-Bu Ph) 2 .- )]. For this complex, the oxidation state of +IV could be assigned. Moreover, a series of isostructural uranium(IV) complexes was prepared. The influence of different ligands according to the spectrochemical series on the electronic and magnetic properties could be shown using UV/vis/NIR spectroscopy and variable temperature SQUID measurements. Calculations of uranium L III XANES spectra show a variation in the shape of the spectra and thus high resolution PFY-XANES would be a great tool to determine the electronic influence of these different axial ligands. Using the single N-anchored ligand system, the first

  9. Modeling and dynamical topology properties of VANET based on complex networks theory

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hong; Li, Jie, E-mail: prof.li@foxmail.com [School of Civil Engineering and Mechanics, Huazhong University of Science and Technology, Wuhan, 430074 (China)

    2015-01-15

    Vehicular Ad hoc Network (VANET) is a special subset of multi-hop Mobile Ad hoc Networks in which vehicles can not only communicate with each other but also with the fixed equipments along the roads through wireless interfaces. Recently, it has been discovered that essential systems in real world share similar properties. When they are regarded as networks, among which the dynamic topology structure of VANET system is an important issue. Many real world networks are actually growing with preferential attachment like Internet, transportation system and telephone network. Those phenomena have brought great possibility in finding a strategy to calibrate and control the topology parameters which can help find VANET topology change regulation to relieve traffic jam, prevent traffic accident and improve traffic safety. VANET is a typical complex network which has its basic characteristics. In this paper, we focus on the macroscopic Vehicle-to-Infrastructure (V2I) and Vehicle-to-Vehicle (V2V) inter-vehicle communication network with complex network theory. In particular, this paper is the first one to propose a method analyzing the topological structure and performance of VANET and present the communications in VANET from a new perspective. Accordingly, we propose degree distribution, clustering coefficient and the short path length of complex network to implement our strategy by numerical example and simulation. All the results demonstrate that VANET shows small world network features and is characterized by a truncated scale-free degree distribution with power-law degree distribution. The average path length of the network is simulated numerically, which indicates that the network shows small-world property and is rarely affected by the randomness. What’s more, we carry out extensive simulations of information propagation and mathematically prove the power law property when γ > 2. The results of this study provide useful information for VANET optimization from a

  10. Hydrophilic olive cake extracts: Characterization by physicochemical properties and Cu(II) complexation

    International Nuclear Information System (INIS)

    Kolokassidou, K.; Szymczak, W.; Wolf, M.; Obermeier, C.; Buckau, G.; Pashalidis, I.

    2009-01-01

    Disposed olive cake generates hydrophilic components that can be mobilized in the aquatic environment. This paper deals with the characterization of such components, isolated by alkaline extraction. It is shown that these substances possess properties very much resembling humic acid, including a substantial inventory of proton exchanging groups. Extraction and purification of the hydrophilic components from the disposed olive cake was performed by the standard approach for isolation of humic acids from solid sources, i.e. alternating alkaline dissolution and acid flocculation, leaving the purified extract in the protonated form. The purified sample was characterized by Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), Fourier Transform Infra Red Spectroscopy (FTIR), UV-vis, Time-of-Flight Secondary Ion Mass Spectrometry (TOF-SIMS) and Asymmetrical Flow Field-Flow Fractionation (AFFFF). The complex formation properties were investigated by potentiometry using Cu(II) ion selective electrode under atmospheric conditions at I = 0.1 M NaClO 4 (aqueous solution) and pH 6. The formation constant for the CuHA complex is found to be log β = 5.3 ± 0.4 which is close to the corresponding value (log β = 5.2 ± 0.4) obtained from similar investigations with the commercially available Aldrich humic acid (this study) and corresponding published values for various humic acids. Both, structural properties and complex formation data show that the olive cake extract has considerable similarities with humic acids from different sources, pointing towards potential similarities in environmental behavior and impact.

  11. Synthesis, structures and properties of a series of manganese coordination complexes constructed from dicarboxylic fluorene derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Li Xing, E-mail: lixing@nbu.edu.cn [State Key Laboratory Base of Novel Functional Materials and Preparation Science, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang, 315211 (China); Zhao Xiuhua; Bing Yue; Zha Meiqin; Xie Hongzhen; Guo Zhiyong [State Key Laboratory Base of Novel Functional Materials and Preparation Science, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang, 315211 (China)

    2013-01-15

    Assembly reactions of 9,9-diethylfluorene-2,7-dicarboxylic acid (H{sub 2}DFDC) and Mn(CH{sub 3}COO){sub 2}{center_dot}4H{sub 2}O or MnCl{sub 2}{center_dot}4H{sub 2}O by tuning of various secondary ligands such as 2,2 Prime -bipyridine (2,2 Prime -bpy), 4,4 Prime -bipyridine (4,4 Prime -bpy) or 1,3-bis(4-pyridyl)propane) (bpp), gave rise to four complexes {l_brace} [Mn{sub 2}(DFDC){sub 2}(DMF){sub 2}]{center_dot}H{sub 2}O{r_brace} {sub n} (1), [Mn(DFDC)(2,2 Prime -bpy)]{sub n} (2), {l_brace} [Mn{sub 2}(DFDC){sub 2}(4,4 Prime -bpy){sub 2}]{center_dot}2CH{sub 3}OH{r_brace} {sub n} (3), and {l_brace} [Mn{sub 4}(DFDC){sub 4}(bpp){sub 2}(CH{sub 3}OH){sub 3} (H{sub 2}O){sub 3}]{center_dot}3(CH{sub 3}OH){center_dot}3(H{sub 2}O){r_brace} {sub n} (4). Single crystal X-ray diffraction analysis reveal that complex 1 is three dimensional structure with rhombic channels filled by guest water molecules; 2 presents a close-packed structure with high thermal stability; 3 exhibits a three dimensional framework with micro-porous channels filled by guest methanol molecules and 4 is a two-dimensional structure. The photoluminescent properties of 1-4 have been studied, respectively, showing that the Mn(II) ions, accessorial organic ligands or crystal structures exert important influences on the photoluminescence emissions of H{sub 2}DFDC ligands. Thermogravimetric analysis show that the complexes have remarkably high thermal stability. Magnetic susceptibility measurements have been finished and discussed for the complexes. - Graphical abstract: Assembly of 9,9-diethylfluorene-2,7-dicarboxylic acid and Mn(II) salts by tuning of various accessorial ligands resulted in four manganese complexes with different topological frameworks. Highlights: Black-Right-Pointing-Pointer Four manganese complexes based on 9,9-diethylfluorene-2,7-dicarboxylic acid were obtained. Black-Right-Pointing-Pointer The complexes were structurally characterized by single-crystal X-ray diffraction. Black

  12. Hydrothermal synthesis, photoluminescence and photocatalytic properties of two silver(I) complexes

    Science.gov (United States)

    Yang, Yuan-Yuan; Zhou, Lin-Xia; Zheng, Yue-Qing; Zhu, Hong-Lin; Li, Wen-Ying

    2017-09-01

    Two new dinuclear silver(I) coordination complexes [Ag(Hntph)(tpyz)2/2]n1 and [Ag2(dtrz)2(Hntph)2] 2 (H2ntph=2-nitroterephthalic acid, tpyz=2,3,5-trimethylpyrazine, dtrz=3,5-dimethyl-4H-1,2,4-triazol-4-amine) have been obtained by hydrothermal reactions of Ag(I) salts with H2ntph and various N-donor ligands. Complex 1 exhibits a 2D layer structure constructed by the binuclear Ag2(Hntph)2 units and tpyz ligands. Complex 2 also shows a different binuclear unit Ag2(dtrz)2, which was assembled via hydrogen bonds interactions to a 3D supramolecular architecture. The photocatalytic experiments showed that complex 2 is an excellent visible light candidate for degradation of RhB, and the degradation ratio of RhB reached 91.4% after 7 h under the light of 90 W white LED lamp. Moreover, the photoluminescent properties and the optical band gaps of 1-2 have also been investigated.

  13. Governing Influence of Thermodynamic and Chemical Equilibria on the Interfacial Properties in Complex Fluids.

    Science.gov (United States)

    Harikrishnan, A R; Dhar, Purbarun; Gedupudi, Sateesh; Das, Sarit K

    2018-04-12

    We propose a comprehensive analysis and a quasi-analytical mathematical formalism to predict the surface tension and contact angles of complex surfactant-infused nanocolloids. The model rests on the foundations of the interaction potentials for the interfacial adsorption-desorption dynamics in complex multicomponent colloids. Surfactant-infused nanoparticle-laden interface problems are difficult to deal with because of the many-body interactions and interfaces involved at the meso-nanoscales. The model is based on the governing role of thermodynamic and chemical equilibrium parameters in modulating the interfacial energies. The influence of parameters such as the presence of surfactants, nanoparticles, and surfactant-capped nanoparticles on interfacial dynamics is revealed by the analysis. Solely based on the knowledge of interfacial properties of independent surfactant solutions and nanocolloids, the same can be deduced for complex surfactant-based nanocolloids through the proposed approach. The model accurately predicts the equilibrium surface tension and contact angle of complex nanocolloids available in the existing literature and present experimental findings.

  14. Investigating the inclusion properties of aromatic amino acids complexing beta-cyclodextrins in model peptides.

    Science.gov (United States)

    Caso, Jolanda Valentina; Russo, Luigi; Palmieri, Maddalena; Malgieri, Gaetano; Galdiero, Stefania; Falanga, Annarita; Isernia, Carla; Iacovino, Rosa

    2015-10-01

    Cyclodextrins are commonly used as complexing agents in biological, pharmaceutical, and industrial applications since they have an effect on protein thermal and proteolytic stability, refolding yields, solubility, and taste masking. β-cyclodextrins (β-CD), because of their cavity size are a perfectly suited complexing agent for many common guest moieties. In the case of peptide-cyclodextrin and protein-cyclodextrin host-guest complexes the aromatic amino acids are reported to be the principal responsible of the interaction. For these reasons, we have investigated the inclusion properties of nine designed tripeptides, obtained permuting the position of two L-alanines (Ala, A) with that of one L-tryptophan (Trp, W), L-phenylalanine (Phe, F), or L-tyrosine (Tyr, Y), respectively. Interestingly, the position of the aromatic side-chain in the sequence appears to modulate the β-CD:peptide binding constants, determined via UV-Vis and NMR spectroscopy, which in turn assumes values higher than those reported for the single amino acid. The tripeptides containing a tyrosine showed the highest binding constants, with the central position in the Ac-AYA-NH2 peptide becoming the most favorite for the interaction. A combined NMR and Molecular Docking approach permitted to build detailed complex models, highlighting the stabilizing interactions of the neighboring amino acids backbone atoms with the upper rim of the β-CD.

  15. Carboxylated dithiafulvenes and tetrathiafulvalene vinylogues: synthesis, electronic properties, and complexation with zinc ions

    Directory of Open Access Journals (Sweden)

    Yunfei Wang

    2015-06-01

    Full Text Available A class of carboxyl and carboxylate ester-substituted dithiafulvene (DTF derivatives and tetrathiafulvalene vinylogues (TTFVs has been synthesized and their electronic and electrochemical redox properties were characterized by UV–vis spectroscopic and cyclic voltammetric analyses. The carboxyl-TTFV was applied as a redox-active ligand to complex with Zn(II ions, forming a stable Zn-TTFV coordination polymer. The structural, electrochemical, and thermal properties of the coordination polymer were investigated by infrared spectroscopy, cyclic voltammetry, powder X-ray diffraction, and differential scanning calorimetric analyses. Furthermore, the microscopic porosity and surface area of the Zn-TTFV coordination polymer were measured by nitrogen gas adsorption analysis, showing a BET surface of 148.2 m2 g−1 and an average pore diameter of 10.2 nm.

  16. Electronic structures and magnetic/optical properties of metal phthalocyanine complexes

    Energy Technology Data Exchange (ETDEWEB)

    Baba, Shintaro; Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.jp; Oku, Takeo [Department of Materials Science, The University of Shiga Prefecture. 2500 Hassaka, Hikone, Shiga 522-8533 (Japan)

    2016-02-01

    Electronic structures and magnetic / optical properties of metal phthalocyanine complexes were studied by quantum calculations using density functional theory. Effects of central metal and expansion of π orbital on aromatic ring as conjugation system on the electronic structures, magnetic, optical properties and vibration modes of infrared and Raman spectra of metal phthalocyanines were investigated. Electron and charge density distribution and energy levels near frontier orbital and excited states were influenced by the deformed structures varied with central metal and charge. The magnetic parameters of chemical shifts in {sup 13}C-nuclear magnetic resonance ({sup 13}C-NMR), principle g-tensor, A-tensor, V-tensor of electric field gradient and asymmetry parameters derived from the deformed structures with magnetic interaction of nuclear quadruple interaction based on electron and charge density distribution with a bias of charge near ligand under crystal field.

  17. Characterizing scaling properties of complex signals with missed data segments using the multifractal analysis

    Science.gov (United States)

    Pavlov, A. N.; Pavlova, O. N.; Abdurashitov, A. S.; Sindeeva, O. A.; Semyachkina-Glushkovskaya, O. V.; Kurths, J.

    2018-01-01

    The scaling properties of complex processes may be highly influenced by the presence of various artifacts in experimental recordings. Their removal produces changes in the singularity spectra and the Hölder exponents as compared with the original artifacts-free data, and these changes are significantly different for positively correlated and anti-correlated signals. While signals with power-law correlations are nearly insensitive to the loss of significant parts of data, the removal of fragments of anti-correlated signals is more crucial for further data analysis. In this work, we study the ability of characterizing scaling features of chaotic and stochastic processes with distinct correlation properties using a wavelet-based multifractal analysis, and discuss differences between the effect of missed data for synchronous and asynchronous oscillatory regimes. We show that even an extreme data loss allows characterizing physiological processes such as the cerebral blood flow dynamics.

  18. Thermomechanical DART code improvements for LEU VHD dispersion and monolithic fuel element analysis

    International Nuclear Information System (INIS)

    Taboada, H.; Saliba, R.; Moscarda, M.V.; Rest, J.

    2005-01-01

    A collaboration agreement between ANL/US DOE and CNEA Argentina in the area of Low Enriched Uranium Advanced Fuels has been in place since October 16, 1997 under the Implementation Arrangement for Technical Exchange and Cooperation in the Area of Peaceful Uses of Nuclear Energy. An annex concerning DART code optimization has been operative since February 8, 1999. Previously, as a part of this annex a visual FASTDART version and also a DART THERMAL version were presented during RERTR 2000, 2002 and RERTR 2003 Meetings. During this past year the following activities were completed: Optimization of DART TM code Al diffusion parameters by testing predictions against reliable data from RERTR experiments. Improvements on the 3-D thermo-mechanical version of the code for modeling the irradiation behavior of LEU U-Mo monolithic fuel. Concerning the first point, by means of an optimization of parameters of the Al diffusion through the interaction product theoretical expression, a reasonable agreement between DART temperature calculations with reliable RERTR PIE data was reached. The 3-D thermomechanical code complex is based upon a finite element thermal-elastic code named TERMELAS, and irradiation behavior provided by the DART code. An adequate and progressive process of coupling calculations of both codes at each time step is currently developed. Compatible thermal calculation between both codes was reached. This is the first stage to benchmark and validate against RERTR PIE data the coupling process. (author)

  19. Modelling the Thermo-Mechanical Behavior of Magnesium Alloys during Indirect Extrusion

    International Nuclear Information System (INIS)

    Steglich, D.; Ertuerk, S.; Bohlen, J.; Letzig, D.; Brocks, W.

    2010-01-01

    One of the basic metal forming process for semi-finished products is extrusion. Since extrusion involves complex thermo-mechanical and multiaxial loading conditions resulting in large strains, high strain rates and an increase in temperature due to deformation, a proper yield criterion and hardening law should be used in the numerical modelling of the process. A phenomenological model based on a plastic potential has been proposed that takes strain, strain rate and temperature dependency on flow behaviour into consideration. A hybrid methodology of experiment and finite element simulation has been adopted in order to obtain necessary model parameters. The anisotropy/asymmetry in yielding was quantified by tensile and compression tests of specimens prepared from different directions. The identification of the corresponding model parameters was performed by a genetic algorithm. A fully coupled thermo-mechanical analysis has been used in extrusion simulations for calculation of the temperature field by considering heat fluxes and heat generated due to plastic deformation. The results of the approach adopted in this study appeared to be successful showing promising predictions of the experiments and thus may be extended to be applicable to other magnesium alloys or even other hcp metals.

  20. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    He, Jiang-Hong [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Xiao, Dong-Rong, E-mail: xiaodr98@yahoo.com.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Luo, Qun-Li, E-mail: qlluo@swu.edu.cn [College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Wang, En-Bo, E-mail: wangeb889@nenu.edu.cn [Key Laboratory of Polyoxometalate Science of Ministry of Education, Department of Chemistry, Northeast Normal University, Changchun 130024 (China)

    2013-02-15

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]{center_dot}H{sub 2}O (1), [M(norfH)(bpdc)]{center_dot}H{sub 2}O (M=Cd (2) and Mn (3)), [Mn{sub 2}(cfH)(odpa)(H{sub 2}O){sub 3}]{center_dot}0.5H{sub 2}O (4), [Co{sub 2}(norfH)(bpta)({mu}{sub 2}-H{sub 2}O)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) and [Co{sub 3}(saraH){sub 2}(Hbpta){sub 2}(H{sub 2}O){sub 4}]{center_dot}9H{sub 2}O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4 Prime -biphenyldicarboxylate, odpa=4,4 Prime -oxydiphthalate, bpta=3,3 Prime ,4,4 Prime -biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed. - Graphical abstract: Six novel 2D metal-quinolone complexes have been prepared by self-assemblies of the quinolones and metal salts in the presence of long aromatic polycarboxylates. Highlights: Black-Right-Pointing-Pointer Compounds 1-3 consist of novel 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Black-Right-Pointing-Pointer Compounds 4 and 5 are two novel 2D layers based on tetranuclear Mn or Co clusters with kgd topology. Black-Right-Pointing-Pointer Compound 6 is the first example of metal-quinolone complexes with 2D bilayer structure. Black-Right-Pointing-Pointer Compounds 1-6 represent six unusual

  1. Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Wai-Yim

    2012-01-14

    This project is a continuation of a long program supported by the Office of Basic Energy Science in the Office of Science of DOE for many years. The final three-year continuation started on November 1, 2005 with additional 1 year extension to October 30, 2009. The project was then granted a two-year No Cost Extension which officially ended on October 30, 2011. This report covers the activities within this six year period with emphasis on the work completed within the last 3 years. A total of 44 papers with acknowledgement to this grant were published or submitted. The overall objectives of this project are as follows. These objectives have been evolved over the six year period: (1) To use the state-of-the-art computational methods to investigate the electronic structures of complex ceramics and other novel crystals. (2) To further investigate the defects, surfaces/interfaces and microstructures in complex materials using large scale modeling. (3) To extend the study on ceramic materials to more complex bioceramic crystals. (4) To initiate the study on soft condensed matters including water and biomolecules. (5) To focus on the spectroscopic studies of different materials especially on the ELNES and XANES spectral calculations and their applications related to experimental techniques. (6) To develop and refine computational methods to be effectively executed on DOE supercomputers. (7) To evaluate mechanical properties of different crystals and those containing defects and relate them to the fundamental electronic structures. (8) To promote and publicize the first-principles OLCAO method developed by the PI (under DOE support for many years) for applications to large complex material systems. (9) To train a new generation of graduate students and postdoctoral fellows in modern computational materials science and condensed matter physics. (10) To establish effective international and domestic collaborations with both experimentalists and theorists in materials

  2. Study of cast and thermo-mechanically strengthened chromium-nickel nitrogen-containing steel

    International Nuclear Information System (INIS)

    Prokoshkina, V.G.; Kaputkina, L.M.; Svyazhin, A.G.

    2000-01-01

    The effect of nitrogen on the structure and strength of corrosion-resistant chromium-nickel steels after thermal and thermomechanical treatment is studied. The 06Kh15N7AD and 07Kh15N7DAMB steels alloying by nitrogen was accomplished through the basic composition steels remelting in the molecular nitrogen atmosphere under the pressure of 0.1-2.5 MPa. The 02Kh15N5DAF and 05Kh15N5DAM steels ingots were obtained through melting in a plasma furnace under the nitrogen pressure of 0.4MPA. The high-temperature thermomechanical treatment (HTMT) was performed by rolling with preliminary blanks heating up to 1050 deg C and the rolling end temperature not below 950 deg C. It is shown, that the HTMT of the nitrogen-containing steels makes it possible to obtain strength characteristics by 1.5 times exceeding the properties of traditionally applicable corrosion-resistant steels, whereby sufficiently high plasticity of the nitrogen-containing steel is retained [ru

  3. Preparations, structures and properties of heterobimetallic complexes based on tetrahydrofuran-2,3,4,5-tetracarboxylate

    International Nuclear Information System (INIS)

    Jia, Tian-Jing; Li, Shu-Mu; Cao, Wei; Li, Li-Cun; Zheng, Xiang-Jun; Yuan, Da-Qiang

    2013-01-01

    Transition heterobimetallic metal-organic frameworks based on tetrahydrofuran-2,3,4,5-tetracarboxylicate (FTA), namely [M(H 2 O) 6 ][Cu 2 M(FTA) 2 (H 2 O) 2 ]·4H 2 O [M=Mn (1), Co (2)], and [CuZn(FTA)(H 2 O) 5 ]·H 2 O (3) have been synthesized and characterized. Single-crystal X-ray diffraction indicates that complexes 1 and 2 are isomorphic. In 1 and 2, FTA ligand links the metal ions to a 2-D wave-like negative-charged layer with a topology of (4;6 2 ) 2 (4;6 3 ;8 2 ) 2 (6). They possess 1-D channels with [M(H 2 O) 6 ] 2+ and lattice water molecules enclathrated. While in the complex 3, Cu 2+ and Zn 2+ ions are bridged by FTA to a 2-D neutral layer structure with a (8) 2 (8 4 ;12 2 ) topology. Magnetic properties of 1–3 were analyzed in connection with their structures, which show that there exist weak antiferromagnetic interactions between metal ions. - Graphical abstract: Three heterobimetallic MOFs were constructed through the size-selectivity of TFA coordination sites for different transition metal ions based on the concept of “Hard and Soft Acids and Bases”. Highlights: ► Complexes 1 and 3 contain 2-D wave-like negative-charged layers. ► Complex 2 is a 2-D neutral layer structure with a (8) 2 (8 4 ;12 2 ) topology. ► Complexes 1–3 are the first example of heterobimetallic MOFs based on FTA. ► The coordination sites of FTA show size-selectivity to metal ions

  4. Preparation and properties of a monomeric Mn(IV)-oxo complex.

    Science.gov (United States)

    Parsell, Trenton H; Behan, Rachel K; Green, Michael T; Hendrich, Michael P; Borovik, A S

    2006-07-12

    Manganese-oxo complexes have long been investigated because of their proposed roles in biological and chemical catalysis. However, there are few examples of monomeric complexes with terminal oxo ligands, especially those with oxomanganese(IV) units. A oxomanganese(IV) complex has been prepared from [MnIIIH3buea(O)]2- ([H3buea]3-, tris[(N'-tert-butylureaylato)-N-ethylene]aminato), a monomeric MnIII-O complex in which the oxo ligand arises from cleavage of dioxygen. Treating [MnIIIH3buea(O)]2- with [Cp2Fe]BF4 in either DMF at -45 degrees C or DMSO at room temperature produces [MnIVH3buea(O)]-: lambdamax = 635 nm; nu(Mn-16O) = 737 cm-1; nu(Mn-18O) = 709 cm-1; g = 5.15, 2.44, 1.63, D = 3.0 cm-1, E/D = 0.26, aMn = 66 G (A = 190 MHz). These spectroscopic properties support the assignment of a mononuclear MnIV-oxo complex with an S = 3/2 ground state. Density functional theory supports this assignment and the Jahn-Teller distortion around the high-spin MnIV center that would alter the molecular structure of [MnIVH3buea(O)]- from trigonal symmetry (as indicated by the highly rhombic EPR signal). [MnIVH3buea(O)]- is relatively unstable in DMSO, converting to [MnIIIH3buea(OH)]- via a proposed X-H bond cleavage. [MnIVH3buea(O)]- reacts with 1,2-diphenylhydrazine to from azobenzene (95% yield) and [MnIIIH3buea(OH)]-. The MnIV-oxo does not react with triphenyl- or tricyclohexylphosphine. However, O-atom transfer is observed with methyldiphenylphosphine and dimethylphenylphosphine, producing the corresponding phosphine oxides. These results illustrate the diverse reactivity of the MnIV-oxo unit.

  5. Bis(bipyridine)ruthenium(II) complexes with an aliphatic sulfinato donor: synthesis, characterization, and properties.

    Science.gov (United States)

    Tamura, Motoshi; Tsuge, Kiyoshi; Igashira-Kamiyama, Asako; Konno, Takumi

    2011-06-06

    Treatment of a thiolato-bridged Ru(II)Ag(I)Ru(II) trinuclear complex, [Ag{Ru(aet)(bpy)(2)}(2)](3+) (aet = 2-aminoethanthiolate; bpy = 2,2'-bipyridine), with NaI in aqueous ethanol under an aerobic condition afforded a mononuclear ruthenium(II) complex having an S-bonded sulfinato group, [1](+) ([Ru(aesi-N, S)(bpy)(2)](+) (aesi = 2-aminoethanesulfinate)). Similar treatment of optically active isomers of an analogous Ru(II)Ag(I)Ru(II) trinuclear complex, Δ(D)Δ(D)- and Λ(D)Λ(D)-[Ag{Ru(d-Hpen-O,S)(bpy)(2)}(2)](3+) (d-pen = d-penicillaminate), with NaI also produced mononuclear ruthenium(II) isomers with an S-bonded sulfinato group, Δ(D)- and Λ(D)-[2](+) ([Ru(d-Hpsi-O,S)(bpy)(2)](+) (d-psi = d-penicillaminesulfinate)), respectively, retaining the bidentate-O,S coordination mode of a d-Hpen ligand and the absolute configuration (Δ or Λ) about a Ru(II) center. On refluxing in water, the Δ(D) isomer of [2](+) underwent a linkage isomerization to form Δ(D)-[3] (+) ([Ru(d-Hpsi-N,S)(bpy)(2)](+)), in which a d-Hpsi ligand coordinates to a Ru(II) center in a bidentate-N,S mode. Complexes [1](+), Δ(D)- and Λ(D)-[2](+), and Δ(D)-[3](+) were fully characterized by electronic absorption, CD, NMR, and IR spectroscopies, together with single-crystal X-ray crystallography. The electrochemical properties of these complexes, which are highly dependent on the coordination mode of sulfinate ligands, are also described. © 2011 American Chemical Society

  6. Preparations, structures and properties of heterobimetallic complexes based on tetrahydrofuran-2,3,4,5-tetracarboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Jia, Tian-Jing; Li, Shu-Mu; Cao, Wei [College of Chemistry, Beijing Normal University, Beijing 100875 (China); Li, Li-Cun [College of Chemistry, Nankai University, Tianjin 300071 (China); Zheng, Xiang-Jun, E-mail: xjzheng@bnu.edu.cn [College of Chemistry, Beijing Normal University, Beijing 100875 (China); Yuan, Da-Qiang [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2013-05-01

    Transition heterobimetallic metal-organic frameworks based on tetrahydrofuran-2,3,4,5-tetracarboxylicate (FTA), namely [M(H₂O)₆][Cu₂M(FTA)₂(H₂O)₂]·4H₂O [M=Mn (1), Co (2)], and [CuZn(FTA)(H₂O)₅]·H₂O (3) have been synthesized and characterized. Single-crystal X-ray diffraction indicates that complexes 1 and 2 are isomorphic. In 1 and 2, FTA ligand links the metal ions to a 2-D wave-like negative-charged layer with a topology of (4;6²)₂(4;6³;8²)₂(6). They possess 1-D channels with [M(H₂O)₆]²⁺ and lattice water molecules enclathrated. While in the complex 3, Cu²⁺ and Zn²⁺ ions are bridged by FTA to a 2-D neutral layer structure with a (8)₂(8⁴;12²) topology. Magnetic properties of 1–3 were analyzed in connection with their structures, which show that there exist weak antiferromagnetic interactions between metal ions. - Graphical abstract: Three heterobimetallic MOFs were constructed through the size-selectivity of TFA coordination sites for different transition metal ions based on the concept of “Hard and Soft Acids and Bases”. Highlights: • Complexes 1 and 3 contain 2-D wave-like negative-charged layers. • Complex 2 is a 2-D neutral layer structure with a (8)₂(8⁴;12²) topology. • Complexes 1–3 are the first example of heterobimetallic MOFs based on FTA. • The coordination sites of FTA show size-selectivity to metal ions.

  7. Design and verification of thermomechanical parameters of P/M Ti6Al4V alloy forging

    International Nuclear Information System (INIS)

    Wojtaszek, Marek; Śleboda, Tomasz

    2014-01-01

    Highlights: • Thermomechanical parameters of P/M Ti6Al4V alloy processing were determined. • The use of the mixture of elemental powders allows reducing manufacturing costs. • Numerical modelling allowed to elaborate favourable parameters of forging. • The industrial trials of hot forging of P/M Ti6Al4V alloy were successful. - Abstract: This work is focused on the design of technology of forging high-quality Ti6Al4V alloy by means of powder metallurgy methods. A mixture of elemental powders, with the chemical composition of that of Ti6Al4V alloy, was used as a starting material for the investigation. Powder mixtures were fully densified by hot compaction under precisely controlled conditions. The mechanical properties of the obtained compacts were examined. The mechanical behaviour of the investigated alloy powder compacts was evaluated by compression test under various thermomechanical conditions using Gleeble simulator. The microstructure of powder compacts as well as P/M alloy samples deformed in compression tests was examined. All data obtained from the experimental tests were applied as boundary conditions for numerical simulation of forging of selected forgings. Basing on the results of both plastometric tests and simulations, thermomechanical parameters of the investigated alloy forging were determined. Designed parameters of forging technology were verified by forging trials performed in industrial conditions. The quality of the obtained forgings was examined by means of computed tomography

  8. Advanced Environmental Barrier Coating and SA Tyrannohex SiC Composites Integration for Improved Thermomechanical and Environmental Durability

    Science.gov (United States)

    Zhu, Dongming; Halbig, Michael; Singh, Mrityunjay

    2018-01-01

    The development of 2700 degF capable environmental barrier coating (EBC) systems, particularly, the Rare Earth "Hafnium" Silicon bond coat systems, have significantly improved the temperature capability and environmental stability of SiC/SiC Ceramic Matrix Composite Systems. We have specifically developed the advanced 2700 degF EBC systems, integrating the EBC to the high temperature SA Tyrannohex SiC fiber composites, for comprehensive performance and durability evaluations for potential turbine engine airfoil component applications. The fundamental mechanical properties, environmental stability and thermal gradient cyclic durability performance of the EBC - SA Tyrannohex composites were investigated. The paper will particularly emphasize the high pressure combustion rig recession, cyclic thermal stress resistance and thermomechanical low cycle fatigue testing of uncoated and environmental barrier coated Tyrannohex SiC SA composites in these simulated turbine engine combustion water vapor, thermal gradients, and mechanical loading conditions. We have also investigated high heat flux and flexural fatigue degradation mechanisms, determined the upper limits of operating temperature conditions for the coated SA composite material systems in thermomechanical fatigue conditions. Recent progress has also been made by using the self-healing rare earth-silicon based EBCs, thus enhancing the SA composite hexagonal fiber columns bonding for improved thermomechanical and environmental durability in turbine engine operation environments. More advanced EBC- composite systems based on the new EBC-Fiber Interphases will also be discussed.

  9. Design and verification of thermomechanical parameters of P/M Ti6Al4V alloy forging

    Energy Technology Data Exchange (ETDEWEB)

    Wojtaszek, Marek, E-mail: mwojtasz@metal.agh.edu.pl; Śleboda, Tomasz

    2014-12-05

    Highlights: • Thermomechanical parameters of P/M Ti6Al4V alloy processing were determined. • The use of the mixture of elemental powders allows reducing manufacturing costs. • Numerical modelling allowed to elaborate favourable parameters of forging. • The industrial trials of hot forging of P/M Ti6Al4V alloy were successful. - Abstract: This work is focused on the design of technology of forging high-quality Ti6Al4V alloy by means of powder metallurgy methods. A mixture of elemental powders, with the chemical composition of that of Ti6Al4V alloy, was used as a starting material for the investigation. Powder mixtures were fully densified by hot compaction under precisely controlled conditions. The mechanical properties of the obtained compacts were examined. The mechanical behaviour of the investigated alloy powder compacts was evaluated by compression test under various thermomechanical conditions using Gleeble simulator. The microstructure of powder compacts as well as P/M alloy samples deformed in compression tests was examined. All data obtained from the experimental tests were applied as boundary conditions for numerical simulation of forging of selected forgings. Basing on the results of both plastometric tests and simulations, thermomechanical parameters of the investigated alloy forging were determined. Designed parameters of forging technology were verified by forging trials performed in industrial conditions. The quality of the obtained forgings was examined by means of computed tomography.

  10. Atomistic simulation of solid solution hardening in Mg/Al alloys: Examination of composition scaling and thermo-mechanical relationships

    International Nuclear Information System (INIS)

    Yi, Peng; Cammarata, Robert C.; Falk, Michael L.

    2016-01-01

    Dislocation mobility in a solid solution was studied using atomistic simulations of an Mg/Al system. The critical resolved shear stress (CRSS) for the dislocations on the basal plane was calculated at temperatures from 0 K to 500 K with solute concentrations from 0 to 7 at%, and with four different strain rates. Solute hardening of the CRSS is decomposed into two contributions: one scales with c 2/3 , where c is the solute concentration, and the other scales with c 1 . The former was consistent with the Labusch model for local solute obstacles, and the latter was related to the athermal plateau stress due to the long range solute effect. A thermo-mechanical model was then used to analyze the temperature and strain rate dependences of the CRSS, and it yielded self-consistent and realistic results. The scaling laws were confirmed and the thermo-mechanical model was successfully parameterized using experimental measurements of the CRSS for Mg/Al alloys under quasi-static conditions. The predicted strain rate sensitivity from the experimental measurements of the CRSS is in reasonable agreement with separate mechanical tests. The concentration scaling and the thermo-mechanical relationships provide a potential tool to analytically relate the structural and thermodynamic parameters on the microscopic level with the macroscopic mechanical properties arising from dislocation mediated deformation.

  11. Influence of thermo-mechanical processing on the microstructure of Cu-based shape memory alloys produced by powder metallurgy

    International Nuclear Information System (INIS)

    Rodriguez, P.P.; Ibarra, A.; Iza-Mendia, A.; Recarte, V.; Perez-Landazabal, J.I.; San Juan, J.; No, M.L.

    2003-01-01

    Cu-Al-Ni shape memory alloys processed by powder metallurgy show very good thermo-mechanical properties, much better than those found in alloys produced by conventional casting. In this paper, we present the microstructural characterisation of these powder metallurgy alloys in order to find the microscopic mechanisms, linked to the powder metallurgy processing method, which are indeed responsible of such good thermo-mechanical behaviour. Electron microscopy studies [scanning electron microscopy (SEM), electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM)] show that powder metallurgy processing creates a sub-grain structure characterised by the presence of low angle sub-boundaries. These sub-boundaries are found to be lying on {1 1 0} and {1 1 2} lattice planes and are composed by an arrangement of superdislocations. These sub-boundaries may improve ductility in two ways: acting as a sink of dislocations which promotes plastic deformation and decreasing stress concentration at grain boundaries. Moreover, since sub-boundaries act as weak obstacles for the movement of martensite plates, the improvement on ductility is accomplished by an adequate thermo-mechanical behaviour

  12. An unsymmetrical porphyrin and its metal complexes: synthesis, spectroscopy, thermal analysis and liquid crystal properties

    Directory of Open Access Journals (Sweden)

    CHANGFU ZHUANG

    2009-09-01

    Full Text Available The synthesis and characterization of a new unsymmetrical porphyrin liquid crystal, 5-(4-stearoyloxyphenylphenyl-10,15,20-triphenylporphyrin (SPTPPH2 and its transition metal complexes (SPTPPM, M(II = Zn, Fe, Co, Ni, Cu or Mn are reported. Their structure and properties were studied by elemental analysis, and UV–Vis, IR, mass and 1H-HMR spectroscopy. Their luminescent properties were studied by excitation and emission spectroscopy. The quantum yields of the S1 ® S0 fluorescence were measured at room temperature. According to thermal studies, the complexes have a higher thermal stability (no decomposition until 200 °C. Differential scanning calorimetry (DSC data and an optical textural photograph, obtained using a polarizing microscope (POM, indicate that the porphyrin ligand had liquid crystalline character and that it exhibited more than one mesophase and a low-lying phase transition temperature, with transition temperatures of 19.3 and 79.4 °C; the temperature range of the liquid crystal (LC phase of the ligand was 70.1 °C.

  13. Probing the topological properties of complex networks modeling short written texts.

    Directory of Open Access Journals (Sweden)

    Diego R Amancio

    Full Text Available In recent years, graph theory has been widely employed to probe several language properties. More specifically, the so-called word adjacency model has been proven useful for tackling several practical problems, especially those relying on textual stylistic analysis. The most common approach to treat texts as networks has simply considered either large pieces of texts or entire books. This approach has certainly worked well-many informative discoveries have been made this way-but it raises an uncomfortable question: could there be important topological patterns in small pieces of texts? To address this problem, the topological properties of subtexts sampled from entire books was probed. Statistical analyses performed on a dataset comprising 50 novels revealed that most of the traditional topological measurements are stable for short subtexts. When the performance of the authorship recognition task was analyzed, it was found that a proper sampling yields a discriminability similar to the one found with full texts. Surprisingly, the support vector machine classification based on the characterization of short texts outperformed the one performed with entire books. These findings suggest that a local topological analysis of large documents might improve its global characterization. Most importantly, it was verified, as a proof of principle, that short texts can be analyzed with the methods and concepts of complex networks. As a consequence, the techniques described here can be extended in a straightforward fashion to analyze texts as time-varying complex networks.

  14. Aespoe Pillar Stability Experiment. Final coupled 3D thermo-mechanical modeling. Preliminary particle mechanical modeling

    International Nuclear Information System (INIS)

    Wanne, Toivo; Johansson, Erik; Potyondy, David

    2004-02-01

    SKB is planning to perform a large-scale pillar stability experiment called APSE (Aespoe Pillar Stability Experiment) at Aespoe HRL. The study is focused on understanding and control of progressive rock failure in hard crystalline rock and damage caused by high stresses. The elastic thermo-mechanical modeling was carried out in three dimensions because of the complex test geometry and in-situ stress tensor by using a finite-difference modeling software FLAC3D. Cracking and damage formation were modeled in the area of interest (pillar between two large scale holes) in two dimensions by using the Particle Flow Code (PFC), which is based on particle mechanics. FLAC and PFC were coupled to minimize the computer resources and the computing time. According to the modeling the initial temperature rises from 15 deg C to about 65 deg C in the pillar area during the heating period of 120 days. The rising temperature due to thermal expansion induces stresses in the pillar area and after 120 days heating the stresses have increased about 33% from the excavation induced maximum stress of 150 MPa to 200 MPa in the end of the heating period. The results from FLAC3D model showed that only regions where the crack initiation stress has exceeded were identified and they extended to about two meters down the hole wall. These could be considered the areas where damage may occur during the in-situ test. When the other hole is pressurized with a 0.8 MPa confining pressure it yields that 5 MPa more stress is needed to damage the rock than without confining pressure. This makes the damaged area in some degree smaller. High compressive stresses in addition to some tensile stresses might induce some AE (acoustic emission) activity in the upper part of the hole from the very beginning of the test and are thus potential areas where AE activities may be detected. Monitoring like acoustic emissions will be measured during the test execution. The 2D coupled PFC-FLAC modeling indicated that

  15. Aespoe Pillar Stability Experiment. Final coupled 3D thermo-mechanical modeling. Preliminary particle mechanical modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wanne, Toivo; Johansson, Erik; Potyondy, David [Saanio and Riekkola Oy, Helsinki (Finland)

    2004-02-01

    SKB is planning to perform a large-scale pillar stability experiment called APSE (Aespoe Pillar Stability Experiment) at Aespoe HRL. The study is focused on understanding and control of progressive rock failure in hard crystalline rock and damage caused by high stresses. The elastic thermo-mechanical modeling was carried out in three dimensions because of the complex test geometry and in-situ stress tensor by using a finite-difference modeling software FLAC3D. Cracking and damage formation were modeled in the area of interest (pillar between two large scale holes) in two dimensions by using the Particle Flow Code (PFC), which is based on particle mechanics. FLAC and PFC were coupled to minimize the computer resources and the computing time. According to the modeling the initial temperature rises from 15 deg C to about 65 deg C in the pillar area during the heating period of 120 days. The rising temperature due to thermal expansion induces stresses in the pillar area and after 120 days heating the stresses have increased about 33% from the excavation induced maximum stress of 150 MPa to 200 MPa in the end of the heating period. The results from FLAC3D model showed that only regions where the crack initiation stress has exceeded were identified and they extended to about two meters down the hole wall. These could be considered the areas where damage may occur during the in-situ test. When the other hole is pressurized with a 0.8 MPa confining pressure it yields that 5 MPa more stress is needed to damage the rock than without confining pressure. This makes the damaged area in some degree smaller. High compressive stresses in addition to some tensile stresses might induce some AE (acoustic emission) activity in the upper part of the hole from the very beginning of the test and are thus potential areas where AE activities may be detected. Monitoring like acoustic emissions will be measured during the test execution. The 2D coupled PFC-FLAC modeling indicated that

  16. Polyelectrolyte Properties in Mono and Multi-Valent Ionic Media: Brushes and Complex Coacervates

    Science.gov (United States)

    Farina, Robert M.

    Materials composed of polyelectrolytes have unique and interesting physical properties resulting primarily from their charged monomer segments. Polyelectrolytes, which exist in many different biological and industrial forms, have also been shown to be highly responsive to external environmental changes. Here, two specific polyelectrolyte systems, brushes and complex coacervates, are discussed in regards to how their properties can be tailored by adjusting the surrounding ionic environment with mono and multi-valent ions. End-tethered polyelectrolyte brushes, which constitute an interesting and substantial portion of polyelectrolyte applications, are well known for their ability to provide excellent lubrication and low friction when coated onto surfaces (e.g. articular cartilage and medical devices), as well as for their ability to stabilize colloidal particles in solution (e.g. paint and cosmetic materials). These properties have been extensively studied with brushes in pure mono-valent ionic media. However, polyelectrolyte brush interactions with multi-valent ions in solution are much less understood, although highly relevant considering mono and multi-valent counterions are present in most applications. Even at very low concentrations of multi-valent ions in solution, dramatic polyelectrolyte brush physical property changes can occur, resulting in collapsed chains which also adhere to one another via multi-valent bridging. Here, the strong polyelectrolyte poly(sodium styrene sulfonate) was studied using the Surface Forces Apparatus (SFA) and electrochemistry in order to investigate brush height and intermolecular interactions between two brushes as a function of multi-valent counterion population inside a brush. Complex coacervates are formed when polyanions and polycations are mixed together in proper conditions of an aqueous solution. This mixing results in a phase separation of a polymer-rich, coacervate phase composed of a chain network held together via

  17. Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex

    Energy Technology Data Exchange (ETDEWEB)

    Haverkate, Lucas A.; Mulder, Fokko M. [Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft (Netherlands); Zbiri, Mohamed, E-mail: zbiri@ill.fr; Johnson, Mark R. [Institut Laue Langevin, 38042 Grenoble Cedex 9 (France); Carter, Elizabeth [Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008 (Australia); Kotlewski, Arek; Picken, S. [ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL/136 Delft (Netherlands); Kearley, Gordon J. [Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234 (Australia)

    2014-01-07

    Discotic liquid crystalline (DLC) charge transfer (CT) complexes combine visible light absorption and rapid charge transfer characteristics, being favorable properties for photovoltaic (PV) applications. We present a detailed study of the electronic and vibrational properties of the prototypic 1:1 mixture of discotic 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6) and 2,4,7-trinitro-9-fluorenone (TNF). It is shown that intermolecular charge transfer occurs in the ground state of the complex: a charge delocalization of about 10{sup −2} electron from the HAT6 core to TNF is deduced from both Raman and our previous NMR measurements [L. A. Haverkate, M. Zbiri, M. R. Johnson, B. Deme, H. J. M. de Groot, F. Lefeber, A. Kotlewski, S. J. Picken, F. M. Mulder, and G. J. Kearley, J. Phys. Chem. B 116, 13098 (2012)], implying the presence of permanent dipoles at the donor-acceptor interface. A combined analysis of density functional theory calculations, resonant Raman and UV-VIS absorption measurements indicate that fast relaxation occurs in the UV region due to intramolecular vibronic coupling of HAT6 quinoidal modes with lower lying electronic states. Relatively slower relaxation in the visible region the excited CT-band of the complex is also indicated, which likely involves motions of the TNF nitro groups. The fast quinoidal relaxation process in the hot UV band of HAT6 relates to pseudo-Jahn-Teller interactions in a single benzene unit, suggesting that the underlying vibronic coupling mechanism can be generic for polyaromatic hydrocarbons. Both the presence of ground state CT dipoles and relatively slow relaxation processes in the excited CT band can be relevant concerning the design of DLC based organic PV systems.

  18. A model of magnetic and relaxation properties of the mononuclear [Pc2Tb](-)TBA+ complex.

    Science.gov (United States)

    Reu, O S; Palii, A V; Ostrovsky, S M; Tregenna-Piggott, P L W; Klokishner, S I

    2012-10-15

    The present work is aimed at the elaboration of the model of magnetic properties and magnetic relaxation in the mononuclear [Pc(2)Tb](-)TBA(+) complex that displays single-molecule magnet properties. We calculate the Stark structure of the ground (7)F(6) term of the Tb(3+) ion in the exchange charge model of the crystal field, taking account for covalence effects. The ground Stark level of the complex possesses the maximum value of the total angular momentum projection, while the energies of the excited Stark levels increase with decreasing |M(J)| values, thus giving rise to a barrier for the reversal of magnetization. The one-phonon transitions between the Stark levels of the Tb(3+) ion induced by electron-vibrational interaction are shown to lead to magnetization relaxation in the [Pc(2)Tb](-)TBA(+) complex. The rates of all possible transitions between the low-lying Stark levels are calculated in the temperature range 14 K

  19. The effect of conformational transition of gelatin-polysaccharide polyelectrolyte complex on its functional properties

    Directory of Open Access Journals (Sweden)

    Tomáš Valenta

    2017-01-01

    Full Text Available The blends of gelatin and shear-thinning hydrocolloids (guar gum, kappa-carrageenan and xanthan gum were examined to determine the effect of the conformational change on the functional properties of the solutions. The polyelectrolyte complexes of 0.5% gelatin/0.5% polysaccharide in 70 mM KCl or 70 mM NaCl were investigated by the laboratory rheometer and conductivity meter in the temperature range 25 - 45 °C. The rheological data were fitted by the power-law and Herschel-Bulkley model to obtain the flow parameters. The functional properties of the samples were substantially affected by the conformational change of the polysaccharide, as well as by the type of the hydrocolloid and salt solution. There was an evident change of viscosity and conductivity of the solutions upon heating, corresponding to the helix-coil transition of the polysaccharide at temperature about 35 °C. The type of the salt solvent had an effect on the gelation properties of the samples. Gelatin/kappa-carrageenan blend in NaCl provided a gel of high consistency at ambient temperature (20 - 25 °C, whereas the blend in KCl did not gel in the studied temperature range. The potential stability of the blends was determined by zeta-potential analysis. The low values of ζ-potential indicate that the gelatin/polysaccharide blends are electrically unstable systems which tend to coagulate. The mixtures of gelatin/polysaccharide electrostatic complexes may have a great potential in many food applications.

  20. Slowly digestible properties of lotus seed starch-glycerine monostearin complexes formed by high pressure homogenization.

    Science.gov (United States)

    Chen, Bingyan; Jia, Xiangze; Miao, Song; Zeng, Shaoxiao; Guo, Zebin; Zhang, Yi; Zheng, Baodong

    2018-06-30

    Starch-lipid complexes were prepared using lotus seed starch (LS) and glycerin monostearate (GMS) via a high-pressure homogenization process, and the effect of high pressure homogenization (HPH) on the slow digestion properties of LS-GMS was investigated. The digestion profiles showed HPH treatment reduced the digestive rate of LS-GMS, and the extent of this change was dependent on homogenized pressure. Scanning electron microscopy displayed HPH treatment change the morphology of LS-GMS, with high pressure producing more compact block-shape structure to resist enzyme digestion. The results of Gel-permeation chromatography and Small-angle X-ray scattering revealed high homogenization pressure impacted molecular weight distribution and semi-crystalline region of complexes, resulting in the formation of new semi-crystalline with repeat unit distance of 16-18 nm and molecular weight distribution of 2.50-2.80 × 10 5  Da, which displayed strong enzymatic resistance. Differential scanning calorimeter results revealed new semi-crystalline lamellar may originate from type-II complexes that exhibited a high transition temperature. Copyright © 2018 Elsevier Ltd. All rights reserved.

  1. Studies on chelation properties of ampicillin with trace metal ions and comparison with penicillin complexes

    International Nuclear Information System (INIS)

    Rehmani, F.S.; Hameed, W.

    2003-01-01

    The penicillin is highly effective antibiotic with extremely wide margin of safety. Ampicillin e is the penicillin group of antibiotic in which side chain is phenyl group i.e. D-amino benzyl penicillin. The side chain determines many of anti bacterial and pharmacological characteristics. They inhibit the protein synthesis in bacterial cell wall. The chelating properties of the antibiotic may be used in the metal transport across the membrane. The present investigations are helpful in drug metabolism and their effects on minerals contents of the body. The complex formation between Ampicillin and penicillin with trace metal ions such as Fe(III), Cr(III), Al(III), Mn(II), Ni(II), Co(II), Ca(II), Mg(II), Cu(III) and Zn(II) were studied by potentiometric titrations and spectrophotometric methods. Stoichiometry of these complexes were studied by mole ratio method. It was found that the Fe(III) and Cu(II) ions form most stable complexes near physiological pH and the mole ratio was 1:1. (author)

  2. Synthesis and optical properties of a new fluorinated erbium complex/polymer composite material

    International Nuclear Information System (INIS)

    Song Limei; Wang Jianshe; Hu Jin; Liu Xinhou; Zhen Zhen

    2009-01-01

    A new fluorinated erbium complex with pentafluorobenzoate groups and triphenylphosphine oxide ligands, Er(PFBZ) 3 (TPPO) 2 (PFBZ: pentafluorobenzoate, TPPO: triphenylphosphine oxide), was synthesized and characterized. And Er(PFBZ) 3 (TPPO) 2 /PMMA (polymethyl methacrylate) composite material was made by bulk polymerization. Both emission properties of the pure complex in the solid and that embedded in PMMA matrix were investigated upon excitation at different wavelengths. The luminescent intensity of the complex embedded in PMMA was enhanced strongly through the indirect excitation of the ligands absorption. Judd-Ofelt theory is used to analyze the absorption spectrum of Er 3+ in PMMA matrix and obtain the intensity parameters: Ω 2 = 11.343 x 10 -20 cm 2 , Ω 4 = 1.474 x 10 -20 cm 2 and Ω 6 = 1.001 x 10 -20 cm 2 . Based on these parameters, the radiative lifetime of the excited 4 I 13/2 level and the stimulated emission cross-section for the 4 I 13/2 → 4 I 15/2 transition are also evaluated

  3. MR morphology of triangular fibrocartilage complex: correlation with quantitative MR and biomechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Won C.; Chang, Eric Y.; Chung, Christine B. [VA San Diego Healthcare System, Radiology Service, San Diego, CA (United States); University of California-San Diego, Department of Radiology, San Diego, CA (United States); Ruangchaijatuporn, Thumanoon [Mahidol University, Department of Diagnostic and Therapeutic Radiology, Faculty of Medicine Ramathibodi Hospital, Rachathewi, Bangkok (Thailand); Biswas, Reni; Du, Jiang; Statum, Sheronda [University of California-San Diego, Department of Radiology, San Diego, CA (United States)

    2016-04-15

    To evaluate pathology of the triangular fibrocartilage complex (TFCC) using high-resolution morphologic magnetic resonance (MR) imaging, and compare with quantitative MR and biomechanical properties. Five cadaveric wrists (22-70 years) were imaged at 3 T using morphologic (proton density weighted spin echo, PD FS, and 3D spoiled gradient echo, 3D SPGR) and quantitative MR sequences to determine T2 and T1rho properties. In eight geographic regions, morphology of TFC disc and laminae were evaluated for pathology and quantitative MR values. Samples were disarticulated and biomechanical indentation testing was performed on the distal surface of the TFC disc. On morphologic PD SE images, TFC disc pathology included degeneration and tears, while that of the laminae included degeneration, degeneration with superimposed tear, mucinous transformation, and globular calcification. Punctate calcifications were highly visible on 3D SPGR images and found only in pathologic regions. Disc pathology occurred more frequently in proximal regions of the disc than distal regions. Quantitative MR values were lowest in normal samples, and generally higher in pathologic regions. Biomechanical testing demonstrated an inverse relationship, with indentation modulus being high in normal regions with low MR values. The laminae studied were mostly pathologic, and additional normal samples are needed to discern quantitative changes. These results show technical feasibility of morphologic MR, quantitative MR, and biomechanical techniques to characterize pathology of the TFCC. Quantitative MRI may be a suitable surrogate marker of soft tissue mechanical properties, and a useful adjunct to conventional morphologic MR techniques. (orig.)

  4. MR morphology of triangular fibrocartilage complex: correlation with quantitative MR and biomechanical properties

    International Nuclear Information System (INIS)

    Bae, Won C.; Chang, Eric Y.; Chung, Christine B.; Ruangchaijatuporn, Thumanoon; Biswas, Reni; Du, Jiang; Statum, Sheronda

    2016-01-01

    To evaluate pathology of the triangular fibrocartilage complex (TFCC) using high-resolution morphologic magnetic resonance (MR) imaging, and compare with quantitative MR and biomechanical properties. Five cadaveric wrists (22-70 years) were imaged at 3 T using morphologic (proton density weighted spin echo, PD FS, and 3D spoiled gradient echo, 3D SPGR) and quantitative MR sequences to determine T2 and T1rho properties. In eight geographic regions, morphology of TFC disc and laminae were evaluated for pathology and quantitative MR values. Samples were disarticulated and biomechanical indentation testing was performed on the distal surface of the TFC disc. On morphologic PD SE images, TFC disc pathology included degeneration and tears, while that of the laminae included degeneration, degeneration with superimposed tear, mucinous transformation, and globular calcification. Punctate calcifications were highly visible on 3D SPGR images and found only in pathologic regions. Disc pathology occurred more frequently in proximal regions of the disc than distal regions. Quantitative MR values were lowest in normal samples, and generally higher in pathologic regions. Biomechanical testing demonstrated an inverse relationship, with indentation modulus being high in normal regions with low MR values. The laminae studied were mostly pathologic, and additional normal samples are needed to discern quantitative changes. These results show technical feasibility of morphologic MR, quantitative MR, and biomechanical techniques to characterize pathology of the TFCC. Quantitative MRI may be a suitable surrogate marker of soft tissue mechanical properties, and a useful adjunct to conventional morphologic MR techniques. (orig.)

  5. MR morphology of triangular fibrocartilage complex: correlation with quantitative MR and biomechanical properties.

    Science.gov (United States)

    Bae, Won C; Ruangchaijatuporn, Thumanoon; Chang, Eric Y; Biswas, Reni; Du, Jiang; Statum, Sheronda; Chung, Christine B

    2016-04-01

    To evaluate pathology of the triangular fibrocartilage complex (TFCC) using high-resolution morphologic magnetic resonance (MR) imaging, and compare with quantitative MR and biomechanical properties. Five cadaveric wrists (22-70 years) were imaged at 3 T using morphologic (proton density weighted spin echo, PD FS, and 3D spoiled gradient echo, 3D SPGR) and quantitative MR sequences to determine T2 and T1rho properties. In eight geographic regions, morphology of TFC disc and laminae were evaluated for pathology and quantitative MR values. Samples were disarticulated and biomechanical indentation testing was performed on the distal surface of the TFC disc. On morphologic PD SE images, TFC disc pathology included degeneration and tears, while that of the laminae included degeneration, degeneration with superimposed tear, mucinous transformation, and globular calcification. Punctate calcifications were highly visible on 3D SPGR images and found only in pathologic regions. Disc pathology occurred more frequently in proximal regions of the disc than distal regions. Quantitative MR values were lowest in normal samples, and generally higher in pathologic regions. Biomechanical testing demonstrated an inverse relationship, with indentation modulus being high in normal regions with low MR values. The laminae studied were mostly pathologic, and additional normal samples are needed to discern quantitative changes. These results show technical feasibility of morphologic MR, quantitative MR, and biomechanical techniques to characterize pathology of the TFCC. Quantitative MRI may be a suitable surrogate marker of soft tissue mechanical properties, and a useful adjunct to conventional morphologic MR techniques.

  6. Surface rheological properties of liquid-liquid interfaces stabilized by protein fibrillar aggregates and protein-polysaccharide complexes

    NARCIS (Netherlands)

    Humblet-Hua, K.N.P.; Linden, van der E.; Sagis, L.M.C.

    2013-01-01

    In this study we have investigated the surface rheological properties of oil-water interfaces stabilized by fibrils from lysozyme (long and semi-flexible and short and rigid ones), fibrils from ovalbumin (short and semi-flexible), lysozyme-pectin complexes, or ovalbumin-pectin complexes. We have

  7. Synthesis and luminescence properties of europium and terbium complexes with pyridine- or bipyridine-linked oligothiophene ligand

    International Nuclear Information System (INIS)

    Liu Ping; Huang Mingsheng; Pan Wanzhang; Zhang Yamin; Hu Jianhua; Deng Wenji

    2006-01-01

    With an aim to develop novel luminescence materials, europium and terbium complexes of 2,5-(2-thiophene)-pyridine (TPY) and 5,5'-bis(5-(2,2'-bithiophene))-2,2'-bipyridine (B2TBPY) were synthesized, and their luminescence properties studied. The complexes exhibit ligand-sensitized emission, which is typical of Eu(III) and Tb(III) ions

  8. Effect of the type of metal on the electrical conductivity and thermal properties of metal complexes: The relation between ionic radius of metal complexes and electrical conductivity

    Science.gov (United States)

    Morgan, Sh. M.; El-Ghamaz, N. A.; Diab, M. A.

    2018-05-01

    Co(II) complexes (1-4) and Ni(II) complexes (5-8) were prepared and characterized by elemental analysis, IR spectra and thermal analysis data. Thermal decomposition of all complexes was discussed using thermogravimetric analysis. The dielectric properties and alternating current conductivity were investigated in the frequency range 0.1-100 kHz and temperature range 300-660 K. The thermal activation energies of electrical conductivity (ΔE1 and ΔE2) values for complexes were calculated and discussed. The values of ΔE1 and ΔE2 for complexes (1-8) were found to decrease with increasing the frequency. Ac electrical conductivity (σac) values increases with increasing temperatures and the values of σac for Co(II) complexes are greater than Ni(II) complexes. Co(II) complexes showed a higher conductivity than other Ni(II) complexes due to the higher crystallinity as confirmed by X-ray diffraction analysis.

  9. Synthesis, characterization and properties of novel amide derivatives based open-chain crown ether and their Tb (III) complexes

    International Nuclear Information System (INIS)

    Liu, Yanhong; He, Wei; Yang, Zehui; Chen, Yanwen; Wang, Xinwei; Guo, Dongcai

    2015-01-01

    Six amide-based open-chain crown ether and their solid complexes with terbium nitrates were synthesized. The target complexes were characterized by elemental analysis, mass spectra, EDTA titrimetric analysis, thermal analysis, molar conductivity, infrared spectra and UV–vis spectra. Luminescence properties of the ligands and the corresponding complexes in solid were studied. The results showed that the introduction of electron-donating group to the ligand enhanced the luminescence intensity of the corresponding complex, but electron-withdrawing group conversely. Meanwhile, among all complexes, the luminescence quantum yield of the complex Tb(NO 3 ) 3 Y 1 was highest up to 0.76. Electrochemical properties were also investigated, and the results showed that the introduction of electron-donating group to the ligand enhanced the highest occupied molecular orbit (HOMO) and the lowest unoccupied molecular orbit (LUMO) energy level, but electron-withdrawing group conversely. And these target complexes may possibly be useful for studying in organic light-emitting devices field. - Highlights: • Novel amide derivatives based open-chain crown ether and their Tb (III) complexes were prepared and characterized. • The target complexes presented high thermodynamic stability. • Influence of the substituent on luminescence intensity and electrochemical property were discussed

  10. Hydrogen embrittlement of thermomechanically treated 18Ni Maraging steel

    International Nuclear Information System (INIS)

    Munford, J.W.; Rack, H.J.; Kass, W.J.

    1977-01-01

    The influence of thermomechanical treatments on susceptibility to cracking in 100 percent relative humidity air and low pressure (93.3 KPa) gaseous hydrogen has been investigated for 18Ni (350 ksi) Maraging steel. Two thermomechanical treatments were studied, ausforming and marforming and compared with the standard solution treated and aged material. Although little difference exists for the strength and toughness values between these treatments, a two to five-fold increase in the stress intensity threshold for cracking was found for both the ausformed and marformed material. A dramatic difference in cracking kinetics was also apparent as shown by the failure times at comparable stress intensities. Fractographic analysis showed that the primary fracture mode was 100 percent intergranular for the solution treated and aged samples while the ausform and marform failures were predominately quasi-cleavage or intergranular depending on orientation. Finally, permeation and diffusion measurements were conducted on the above materials and these results are correlated with the environmental cracking behavior

  11. Hydrogen embrittlement of thermomechanically treated 18Ni Maraging steel

    Energy Technology Data Exchange (ETDEWEB)

    Munford, J.W.; Rack, H.J.; Kass, W.J.

    1977-01-01

    The influence of thermomechanical treatments on susceptibility to cracking in 100 percent relative humidity air and low pressure (93.3 KPa) gaseous hydrogen has been investigated for 18Ni (350 ksi) Maraging steel. Two thermomechanical treatments were studied, ausforming and marforming and compared with the standard solution treated and aged material. Although little difference exists for the strength and toughness values between these treatments, a two to five-fold increase in the stress intensity threshold for cracking was found for both the ausformed and marformed material. A dramatic difference in cracking kinetics was also apparent as shown by the failure times at comparable stress intensities. Fractographic analysis showed that the primary fracture mode was 100 percent intergranular for the solution treated and aged samples while the ausform and marform failures were predominately quasi-cleavage or intergranular depending on orientation. Finally, permeation and diffusion measurements were conducted on the above materials and these results are correlated with the environmental cracking behavior.

  12. Interfacial characteristics of hybrid nanocomposite under thermomechanical loading

    Science.gov (United States)

    Choyal, Vijay; Kundalwal, Shailesh I.

    2017-12-01

    In this work, an improved shear lag model was developed to investigate the interfacial characteristics of three-phase hybrid nanocomposite which is reinforced with microscale fibers augmented with carbon nanotubes on their circumferential surfaces. The shear lag model accounts for (i) radial and axial deformations of different transversely isotropic constituents, (ii) thermomechanical loads on the representative volume element (RVE), and (iii) staggering effect of adjacent RVEs. The results from the current newly developed shear lag model are validated with the finite element simulations and found to be in good agreement. This study reveals that the reduction in the maximum value of the axial stress in the fiber and the interfacial shear stress along its length become more pronounced in the presence of applied thermomechanical loads on the staggered RVEs. The existence of shear tractions along the RVE length plays a significant role in the interfacial characteristics and cannot be ignored.

  13. Thermo-Mechanical Fatigue Crack Growth of RR1000

    OpenAIRE

    Christopher John Pretty; Mark Thomas Whitaker; Steve John Williams

    2017-01-01

    Non-isothermal conditions during flight cycles have long led to the requirement for thermo-mechanical fatigue (TMF) evaluation of aerospace materials. However, the increased temperatures within the gas turbine engine have meant that the requirements for TMF testing now extend to disc alloys along with blade materials. As such, fatigue crack growth rates are required to be evaluated under non-isothermal conditions along with the development of a detailed understanding of related failure mechan...

  14. Thermomechanical analysis of an electrically assisted wire drawing process

    OpenAIRE

    Sánchez Egea, Antonio José; González Rojas, Hernan Alberto; Celentano, Diego Javier; Jorba Peiró, Jordi; Cao, Jia

    2017-01-01

    Electrically-assisted wire drawing process is a hybrid manufacturing process characterized by enhancement of the formability, ductility and elongation of the wire drawn specimen. A thermomechanical model to describe the change of the mechanical response due to the thermal contribution is proposed in this work. Additionally, a numerical simulation was conducted to study the potential and limitations of this hybrid process by using two different hardening laws: a phenomenological and a dislocat...

  15. Thermomechanical fatigue and damage mechanisms in Sanicro 25 steel

    Czech Academy of Sciences Publication Activity Database

    Petráš, Roman; Škorík, Viktor; Polák, Jaroslav

    2016-01-01

    Roč. 650, JAN (2016), s. 52-62 ISSN 0921-5093 R&D Projects: GA MŠk(CZ) EE2.3.30.0063; GA ČR(CZ) GA13-23652S Institutional support: RVO:68081723 Keywords : thermomechanical fatigue * Sanicro 25 steel * damage mechanism * FIB cutting * localized oxidation-cracking Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 3.094, year: 2016

  16. Thermo-mechanical design aspects of mercury bombardment ion thrusters.

    Science.gov (United States)

    Schnelker, D. E.; Kami, S.

    1972-01-01

    The mechanical design criteria are presented as background considerations for solving problems associated with the thermomechanical design of mercury ion bombardment thrusters. Various analytical procedures are used to aid in the development of thruster subassemblies and components in the fields of heat transfer, vibration, and stress analysis. Examples of these techniques which provide computer solutions to predict and control stress levels encountered during launch and operation of thruster systems are discussed. Computer models of specific examples are presented.

  17. Finite elements for the thermomechanical calculation of massive structures

    International Nuclear Information System (INIS)

    Argyris, J.H.; Szimmat, J.; Willam, K.J.

    1978-01-01

    The paper examines the fine element analysis of thermal stress and deformation problems in massive structures. To this end compatible idealizations are utilized for heat conduction and static analysis in order to minimize the data transfer. For transient behaviour due to unsteady heat flow and/or inelastics material processes the two computational parts are interwoven in form of an integrated software package for finite element analysis of thermomechanical problems in space and time. (orig.) [de

  18. Hydrogen storage properties of Na-Li-Mg-Al-H complex hydrides

    International Nuclear Information System (INIS)

    Tang Xia; Opalka, Susanne M.; Laube, Bruce L.; Wu Fengjung; Strickler, Jamie R.; Anton, Donald L.

    2007-01-01

    Lightweight complex hydrides have attracted attention for their high storage hydrogen capacity. NaAlH 4 has been widely studied as a hydrogen storage material for its favorable reversible operating temperature and pressure range for automotive fuel cell applications. The increased understanding of NaAlH 4 has led to an expanded search for high capacity materials in mixed alkali and akali/alkaline earth alanates. In this study, promising candidates in the Na-Li-Mg-Al-H system were evaluated using a combination of experimental chemistry, atomic modeling, and thermodynamic modeling. New materials were synthesized using solid state and solution based processing methods. Their hydrogen storage properties were measured experimentally, and the test results were compared with theoretical modeling assessments

  19. A comparative study of the character and complexation properties of in-situ and extracted humic and fulvic substances

    International Nuclear Information System (INIS)

    Warwick, P.; Hall, A.; Patterson, M.

    1992-12-01

    The character and complexation properties of humic and fulvic acids, derived from a moorland water, have been studied, both under ''in-situ'' conditions and also after extraction. The characterisation studies involved determinations of UV-visible properties, fluorescence properties. size ranges, molecular weights and proton capacities. Complexation studies were conducted using High Performance Size Exclusion Chromatography, Fluorescence Reduction and the Schubert Ion Exchange Method. A strong and weak site ligand model was used to interpret the data. The effects of pH, ionic strength, side reactions, ligand type, purity and nature of the cation were considered. No major differences in the character or complexation properties of the in-situ and extracted materials were found. (Author)

  20. Double-decker phthalocyanine complex: Scanning tunneling microscopy study of film formation and spin properties

    Science.gov (United States)

    Komeda, Tadahiro; Katoh, Keiichi; Yamashita, Masahiro

    2014-05-01

    We review recent studies of double-decker and triple-decker phthalocyanine (Pc) molecules adsorbed on surfaces in terms of the bonding configuration, electronic structure and spin state. The Pc molecule has been studied extensively in surface science. A Pc molecule can contain various metal atoms at the center, and the class of the molecule is called as metal phthalocyanine (MPc). If the center metal has a large radius, like as lanthanoid metals, it becomes difficult to incorporate the metal atom inside of the Pc ring. Pc ligands are placed so as to sandwich the metal atom, where the metal atom is placed out of the Pc plane. The molecule in this configuration is called as a multilayer-decker Pc molecule. After the finding that the double-decker Pc lanthanoid complex shows single-molecule magnet (SMM) behavior, it has attracted a large attention. This is partly due to a rising interest for the ‘molecular spintronics’, in which the freedoms of spin and charge of an electron are applied to the quantum process of information. SMMs represent a class of compounds in which a single molecule behaves as a magnet. The reported blocking temperature, below which a single SMM molecule works as an quantum magnet, has been increasing with the development in the molecular design and synthesis techniques of multiple-decker Pc complex. However, even the bulk properties of these molecules are promising for the use of electronic materials, the films of multi-decker Pc molecules is less studied than those for the MPc molecules. An intriguing structural property is expected for the multi-decker Pc molecules since the Pc planes are linked by metal atoms. This gives an additional degree of freedom to the rotational angle between the two Pc ligands, and they can make a wheel-like symmetric rotation. Due to a simple and well-defined structure of a multi-decker Pc complex, the molecule can be a model molecule for molecular machine studies. The multi-decker Pc molecules can provide

  1. Thermomechanical evaluation of the fuel assemblies fabricated in the ININ

    International Nuclear Information System (INIS)

    Hernandez L, H.; Ortiz V, J.

    2005-01-01

    The pilot plant of fuel production of the National Institute of Nuclear Research (ININ) provided to the Laguna Verde Nuclear Power Plant (CNLV) four fuel assemblies type GE9B. The fuel irradiation was carried out in the unit 1 of the CNLV during four operation cycles, highlighting the fact that in their third cycle the four assemblies were placed in the center of the reactor core. In the Nuclear Systems Department (DSN) of the ININ it has been carried out studies to evaluate their neutron performance and to be able to determine the exposure levels of this fuels. Its also outlines the necessity to carry out a study of the thermomechanical behavior of the fuel rods that compose the assemblies, through computational codes that simulate their performance so much thermal as mechanical. For such purpose has been developing in the DSN the FETMA code, together with the codes that compose the system Fuel Management System (FMS), which evaluates the thermomechanical performance of fuel elements. In this work were used the FETMA and FEMAXI codes (developed by JAERI) to study the thermomechanical performance of the fuel elements manufactured in the ININ. (Author)

  2. New metal-organic complexes based on bis(tetrazole) ligands: Synthesis, structures and properties

    Science.gov (United States)

    Du, Ceng-Ceng; Fan, Jian-Zhong; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi

    2017-04-01

    In this paper, a series of new complexes, [Zn2(HL1)2(H2O)4]·H2O (1), [Co2(HL1)2]·TEA (2), [Co3(HL1)2(H2L1)2(H2O)4]n (3), [Cu(HL1)(H2O)2]n (4), {[Cu5(HL2)2(OH)4(ClO4)2]·4H2O}n (5) and [Cu2(L3)]n (6) were successfully prepared by utilizing three bis(tetrazole) ligands [bis-(1H-tetrazol-5-ylmethyl)-amine (H3L1), bis-(1H-tetrazol-5-ylethyl)-amine (H3L2) and 1,5-bis(5-tetrazolo)-3-thiapentane (H2L3)], all of which have been characterized by elemental analyses, FT-IR spectroscopy, powder X-ray diffraction (PXRD), thermogravimetric analyses as well as single-crystal X-ray diffraction analyses showing different dimensionalities (0D, 1D and 3D). Complexes 1 and 2 are 0D structures, 1 shows a dinuclear structure, 2 displays two crystallographically different mononuclear structures, 1 and 2 are further assembled to form 3D supramolecular framework and 2D supramolecular network by hydrogen-bonding interactions, respectively. Complexes 3, 4 and 5 are 1D structures, 3 features a mononuclear unit and a 1D chain, which are arranged into 3D supramolecular architecture by hydrogen-bonding interactions, 4 presents a zigzag chain, 5 shows an infinite chain structure constructed from pentanuclear Cu(II) subunits and ClO4- anions. Complex 6 exhibits a 3D coordination framework based on cyclic [Cu4(L3)2] dimmer subunits as nodes possessing an 8-connected network topology with the point symbol {424·64}. Further, semiconductor behaviors, the solid-state luminescent properties of the complexes 1-3 and 6 were measured and studied seriously at room temperature.

  3. Spectroscopic properties of reaction center pigments in photosystem II core complexes: revision of the multimer model.

    Science.gov (United States)

    Raszewski, Grzegorz; Diner, Bruce A; Schlodder, Eberhard; Renger, Thomas

    2008-07-01

    Absorbance difference spectra associated with the light-induced formation of functional states in photosystem II core complexes from Thermosynechococcus elongatus and Synechocystis sp. PCC 6803 (e.g., P(+)Pheo(-),P(+)Q(A)(-),(3)P) are described quantitatively in the framework of exciton theory. In addition, effects are analyzed of site-directed mutations of D1-His(198), the axial ligand of the special-pair chlorophyll P(D1), and D1-Thr(179), an amino-acid residue nearest to the accessory chlorophyll Chl(D1), on the spectral properties of the reaction center pigments. Using pigment transition energies (site energies) determined previously from independent experiments on D1-D2-cytb559 complexes, good agreement between calculated and experimental spectra is obtained. The only difference in site energies of the reaction center pigments in D1-D2-cytb559 and photosystem II core complexes concerns Chl(D1). Compared to isolated reaction centers, the site energy of Chl(D1) is red-shifted by 4 nm and less inhomogeneously distributed in core complexes. The site energies cause primary electron transfer at cryogenic temperatures to be initiated by an excited state that is strongly localized on Chl(D1) rather than from a delocalized state as assumed in the previously described multimer model. This result is consistent with earlier experimental data on special-pair mutants and with our previous calculations on D1-D2-cytb559 complexes. The calculations show that at 5 K the lowest excited state of the reaction center is lower by approximately 10 nm than the low-energy exciton state of the two special-pair chlorophylls P(D1) and P(D2) which form an excitonic dimer. The experimental temperature dependence of the wild-type difference spectra can only be understood in this model if temperature-dependent site energies are assumed for Chl(D1) and P(D1), reducing the above energy gap from 10 to 6 nm upon increasing the temperature from 5 to 300 K. At physiological temperature, there are

  4. PIN99W, Modelling of VVER and PWR Fuel Rod Thermomechanical Behaviour

    International Nuclear Information System (INIS)

    Valach, M.; Strizhov, P.; Svoboda, R.

    2000-01-01

    1 - Description of program or function: The Code is developed to describe fuel rod thermomechanical behaviour in operational conditions. The main goal of this code is to calculate fuel temperature, gap conductivity, fission gas release and inner gas pressure. 2 - Methods: - fuel rod temperature response is solved by using one-dimensional finite element method combined with weighted residuals method; - the code involves models describing physical phenomena typical for the fuel irradiated in Light Water Power Reactors (densification, restructuring, fission gas release, swelling and relocation) ; - this code is updated and improves PIN-micro code. 3 - Restrictions on the complexity of the problem: - simplified mechanistic solution; - only steady-state solution; - no cladding failure criterion; - no model for axial fuel-cladding interaction

  5. Global thermo-mechanical effects from a KBS-3 type repository. Summary report

    International Nuclear Information System (INIS)

    Hakami, E.; Olofsson, Stig-Olof; Hakami, H.; Israelsson, Jan

    1998-04-01

    The objective of this study has been to identify the global thermomechanical effects in the bedrock hosting a nuclear waste repository - i.e. the effects at large distances from the repository. Numerical thermomechanical modeling was performed in several steps, beginning with elastic continuum models and followed by distinct element models (3DEC), in which fracture zones are explicitly simulated. The number of fracture zones, the heat intensity of the waste, the material properties of the rock mass and the boundary conditions of the models were varied in different simulations. The results from the numerical modeling show that the principal stresses increase near the repository. The maximum stress obtained for the main model is 44 MPa and occurs at the repository level after about 100 years of deposition. Due to thermal expansion, the rock mass displaces upward, and the maximum heave at the ground surface after 1000 years is calculated to be 16 cm. In the area close to the ground surface, above the center of the repository, the horizontal stresses reduce, causing the rock to yield in tension down to a depth of about 80 m. In correspondence with the stress changes, the fracture zones show opening normal displacements at shallow depths and closing normal displacements and shearing at the repository level. The maximum displacements of the different fracture zones are 0.3-2.5 cm for closing, 0.0-0.8 cm for opening and 0.2-2.2 cm for shearing. Another important input parameter for the analysis is the Young's modulus of the rock mass. In the main model, a value of 30 GPa is assumed. Higher values of Young's modulus give larger thermo-mechanical effects. Other changes of the properties considered give minor changes of the rock mass behavior. All multi-level repository layouts give rise to higher temperatures than the single-level layout, causing the compressive stresses to increase more at the repository level. Fracture zone displacements caused by different layouts are

  6. Thermodynamics properties of complexation and extraction of LN(3) by diamides

    International Nuclear Information System (INIS)

    Charbonnel, M.C.; Flandin, J.L.; Presson, M.T.; Morel, J.P.

    2000-01-01

    In the frame of the French program SPIN, CEA has undertaken the development of the DIAMEX process which is the first step in the strategy of separation of minor actinides from fission products in High Level Waste. The extractant belongs to the diamide family and lead to a co-extraction actinides(III) - lanthanides(III). The study focuses on thermodynamic properties (ΔH, ΔG, ΔS) related to the extraction of lanthanide elements by malonamide in order to have a better knowledge of the driven force and to explain some extraction differences between extractants. The main experimental technique used is the microcalorimetric titration whose principle will be detailed. Preliminary studies concern reactions of complexation Ln 3+ - diamide in an homogeneous aqueous phase. We can assume that reaction is endothermic but some difficulties were encountered to obtain both K and ΔH because of low complexation constants and small heats of reaction. Additional studies were carried out with spectroscopic methods (UV-Visible and LITRFS) to determine precise ΔG r values. The variation in the lanthanide series was also studied. The main work deals with the thermodynamic constants of extraction for which both micro-calorimetry and classical Vant'Hoff approaches were studied: the results will be presented and discussed. (authors)

  7. Properties of grafted polymer metal complexes as ion exchangers and its electrical conductivity

    International Nuclear Information System (INIS)

    El-Arnaouty, M.B.; Abdel Ghaffar, A.M.; Eid, M.

    2011-01-01

    The polyelectrolyte has been prepared as a potential proton exchanger polymer by grafting of acrylic acid/acrylamide and acrylic acid/acrylonitrile comonomer onto low density polyethylene film via gamma radiation. The influence of grafting percent on the electrical conductivity was studied. The resulting polymers were then characterized by evaluating their physico-chemical properties such as ion exchange capacity, and electrical conductivity as a function of grafting yield. The grafted films at different compositions was characterized by FTIR, TGA and SEM. The ion exchange capacity (IEC) of the grafted film at grafting % (191) and monomer concentration ratio 50:50 for (LDPE-g-AAc/AAm) was found to be more than that for (LDPE-g-AAc/AN). The electrical conductivity was found to be greatly affected by the comonomer composition where it increased as the degree of grafting increased for all grafted films. After alkaline treatment with 3% KOH, the electrical conductivity of the grafted films found to be increased. The presence of potassium as counter ion maximized the electrical conductivity of the grafted films. The electrical conductivity of Cu-membrane complexes was higher than that of both Co and Ni complexes. The electrical conductivity increases by increasing both Cu ions content and temperature

  8. Preparation and Properties of 3D Printed Alginate–Chitosan Polyion Complex Hydrogels for Tissue Engineering

    Directory of Open Access Journals (Sweden)

    Qiongqiong Liu

    2018-06-01

    Full Text Available Three-dimensional (3D printing holds great potential for preparing sophisticated scaffolds for tissue engineering. As a result of the shear thinning properties of an alginate solution, it is often used as 3D printing ink. However, it is difficult to prepare scaffolds with complexity structure and high fidelity, because the alginate solution has a low viscosity and alginate hydrogels prepared with Ca2+ crosslinking are mechanically weak. In this work, chitosan powders were dispersed and swelled in an alginate solution, which could effectively improve the viscosity of an alginate solution by 1.5–4 times. With the increase of chitosan content, the shape fidelity of the 3D printed alginate–chitosan polyion complex (AlCh PIC hydrogels were improved. Scanning electron microscope (SEM photographs showed that the lateral pore structure of 3D printed hydrogels was becoming more obvious. As a result of the increased reaction ion pairs in comparison to the alginate hydrogels that were prepared with Ca2+ crosslinking, AlCh PIC hydrogels were mechanically strong, and the compression stress of hydrogels at a 90% strain could achieve 1.4 MPa without breaking. In addition, human adipose derived stem cells (hASCs adhered to the 3D printed AlCh PIC hydrogels and proliferated with time, which indicated that the obtained hydrogels were biocompatible and could potentially be used as scaffolds for tissue engineering.

  9. DIMENSIONS OF EXPERT REPORT COMPLEXITY IN INTELLECTUAL/INDUSTRIAL PROPERTY. CASE STUDY

    Directory of Open Access Journals (Sweden)

    Raul Sorin Fântână

    2016-11-01

    Full Text Available The growing number of complex processes with the specific intellectual / industrial property demonstrated the need for highly qualified experts called in solving technical problems in the court files. The expertise in such field obliges to detailed knowledge of domestic and international law. However, those processes have as conjugate subjects: counterfeiting inventions, trademarks, industrial design; unfair competition; calculating damage that leads to highlighting the economic benefits, the latter requiring economic assessment of an intangible asset using in formula,in addition to economic data, micro - and macro-economic risk factors. Conflicts arise in a specific space. It is therefore necessary detailed knowledge of company law, competition law, that relating to interest, insolvency and bankruptcy in their developments. It should be considered domestic and European legal practice, as well as the rapid evolution of the meaning of legal terms and concepts. Experts have to understand solutions given in the prior complaints for correct interpretation of the provisions of the agreements, laws and regulations derived. The paper refersto one of the most complex expertise reports, which forced expert to integrated legislation acquaintances on patents, on insolvency and interest - in their evolution. But fundamentally, the expert had to understand the phenomenon of engineering and how to measure economic efficiency in the case of a divided invention.

  10. Synthesis and luminescent properties of two Schiff-base boron complexes

    Energy Technology Data Exchange (ETDEWEB)

    Hou Qiufei [Key Lab for Supramolecular Structure and Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Zhao Liyan [Key Lab for Supramolecular Structure and Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Zhang Hongyu [Key Lab for Supramolecular Structure and Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Wang Yue [Key Lab for Supramolecular Structure and Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Jiang Shimei [Key Lab for Supramolecular Structure and Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China)]. E-mail: smjiang@jlu.edu.cn

    2007-10-15

    Schiff bases N,N'-o-phenylenebis (salicylideneimine) (H{sub 2} L{sup 1} ), N,N'-p-phenylenebis (salicylideneimine) (H{sub 2} L{sup 2} ) and their corresponding boron complexes (BF{sub 2}){sub 2} L{sup 1} (BF{sub 2}){sub 2} L{sup 2} were synthesized, respectively. The two boron complexes have been characterized by {sup 1}H NMR, mass spectrometry and elemental analysis, while the luminescent properties of them were investigated with UV-VIS spectroscopy and photoluminescence spectroscopy. Then the three-layer devices [ITO/NPB (60 nm)/(BF{sub 2}){sub 2} L{sup 1} (50 nm)/Alq3 (20 nm)/LiF (1 nm)/Al (200 nm)] (device I) and [ITO/NPB (60 nm)/(BF{sub 2}){sub 2} L{sup 2} (50 nm)/Alq3 (20 nm)/LiF (1 nm)/Al (200 nm)] (device II) were fabricated by vacuum deposition. These two devices both exhibited blue green emission at 500 nm, but showed different luminances and efficiencies.

  11. Thermodynamics properties of complexation and extraction of LN(3) by diamides

    Energy Technology Data Exchange (ETDEWEB)

    Charbonnel, M.C.; Flandin, J.L.; Presson, M.T. [CEA/VALRHO - site de Marcoule, Dept. de Recherche en Retraitement et en Vitrification, DRRV, 30 - Marcoule (France); Morel, J.P. [Universite Blaise Pascal, Clermont-Ferrand II, Lab. de Chimie Physique des Solutions, (CNRS), 63 - Aubiere (France)

    2000-07-01

    In the frame of the French program SPIN, CEA has undertaken the development of the DIAMEX process which is the first step in the strategy of separation of minor actinides from fission products in High Level Waste. The extractant belongs to the diamide family and lead to a co-extraction actinides(III) - lanthanides(III). The study focuses on thermodynamic properties ({delta}H, {delta}G, {delta}S) related to the extraction of lanthanide elements by malonamide in order to have a better knowledge of the driven force and to explain some extraction differences between extractants. The main experimental technique used is the microcalorimetric titration whose principle will be detailed. Preliminary studies concern reactions of complexation Ln{sup 3+} - diamide in an homogeneous aqueous phase. We can assume that reaction is endothermic but some difficulties were encountered to obtain both K and {delta}H because of low complexation constants and small heats of reaction. Additional studies were carried out with spectroscopic methods (UV-Visible and LITRFS) to determine precise {delta}G{sub r} values. The variation in the lanthanide series was also studied. The main work deals with the thermodynamic constants of extraction for which both micro-calorimetry and classical Vant'Hoff approaches were studied: the results will be presented and discussed. (authors)

  12. Information properties of morphologically complex words modulate brain activity during word reading.

    Science.gov (United States)

    Hakala, Tero; Hultén, Annika; Lehtonen, Minna; Lagus, Krista; Salmelin, Riitta

    2018-06-01

    Neuroimaging studies of the reading process point to functionally distinct stages in word recognition. Yet, current understanding of the operations linked to those various stages is mainly descriptive in nature. Approaches developed in the field of computational linguistics may offer a more quantitative approach for understanding brain dynamics. Our aim was to evaluate whether a statistical model of morphology, with well-defined computational principles, can capture the neural dynamics of reading, using the concept of surprisal from information theory as the common measure. The Morfessor model, created for unsupervised discovery of morphemes, is based on the minimum description length principle and attempts to find optimal units of representation for complex words. In a word recognition task, we correlated brain responses to word surprisal values derived from Morfessor and from other psycholinguistic variables that have been linked with various levels of linguistic abstraction. The magnetoencephalography data analysis focused on spatially, temporally and functionally distinct components of cortical activation observed in reading tasks. The early occipital and occipito-temporal responses were correlated with parameters relating to visual complexity and orthographic properties, whereas the later bilateral superior temporal activation was correlated with whole-word based and morphological models. The results show that the word processing costs estimated by the statistical Morfessor model are relevant for brain dynamics of reading during late processing stages. © 2018 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc.

  13. Computerized simulation of YAG pulse laser welding of titanium alloy (TA6V): experimental characterization and modelling of the thermomechanical aspects of this process; Simulation numerique du soudage du TA6V par laser YAG impulsionnel: caracterisation experimentale et modelisation des aspects thermomecanique associees a ce procede

    Energy Technology Data Exchange (ETDEWEB)

    Robert, Y

    2007-09-15

    This work is a part of study which goal is to realize a computer modelling of the thermomechanical phenomena occurring during the YAG pulse laser welding of titanium alloy (TA6V). The filet welding has different heterogeneities (microstructural and mechanical). In fact, the temperature causes microstructural changes (phase transformations, precipitations) and modifies the mechanical properties. Thermomechanical modelling has thus to be established for the welding of TA6V. (author)

  14. Hydrogen-Bonded Polymer-Small Molecule Complexes with Tunable Mechanical Properties.

    Science.gov (United States)

    Liu, Tianqi; Peng, Xin; Chen, Ya-Nan; Bai, Qing-Wen; Shang, Cong; Zhang, Lin; Wang, Huiliang

    2018-03-13

    A novel type of polymeric material with tunable mechanical properties is fabricated from polymers and small molecules that can form hydrogen-bonded intermolecular complexes (IMCs). In this work, poly(vinyl alcohol) (PVA)-glycerol hydrogels are first prepared, and then they are dried to form IMCs. The tensile strengths and moduli of IMCs decrease dramatically with increasing glycerol content, while the elongations increase gradually. The mechanical properties are comparable with or even superior to those of common engineering plastics and rubbers. The IMCs with high glycerol content also show excellent flexibility and cold-resistance at subzero temperatures. Cyclic tensile and stress relaxation tests prove that there is an effective energy dissipation mechanism in IMCs and dynamic mechanical analysis confirms their physical crosslinking nature. FTIR and NMR characterizations prove the existence of hydrogen bonding between glycerol and PVA chains, which suppresses the crystallization of PVA from X-ray diffraction measurement. These PVA-glycerol IMCs may find potential applications in barrier films, biomedical packaging, etc., in the future. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Ferromagnetic dinuclear mixed-valence Mn(II)/Mn(III) complexes: building blocks for the higher nuclearity complexes. structure, magnetic properties, and density functional theory calculations.

    Science.gov (United States)

    Hänninen, Mikko M; Välivaara, Juha; Mota, Antonio J; Colacio, Enrique; Lloret, Francesc; Sillanpää, Reijo

    2013-02-18

    A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromagnetic interactions since these geometrical conditions seem to favor the orthogonal arrangement of the magnetic orbitals.

  16. Comparison of the thermomechanical characteristics of porcher carbon fabric-based composites for orthopaedic applications

    Science.gov (United States)

    Molchanov, E. S.; Yudin, V. E.; Kydralieva, K. A.; Elokhovskii, V. Yu.

    2012-07-01

    Prepregs of fiber-reinforced plastics based on a PORCHER-43200 carbon twill-weave fabric and two types of binders — thermoreactive and thermoplastic — were fabricated using electrostatic spraying, followed by rolling the prepregs in temperature-controlled calenders. A solid epoxy olygomer with dicyandiamine as a hardener and Fortron® polyphenylene sulfide were used as the thermoreactive and thermoplastic binders. The thermomechanical properties of carbon-fiber-reinforced plastics processed from these prepregs, as well as commercial Sigranex® PREPREGCE8201-200-45 S prepregs as model ones, and composites manufactured from them were investigated for comparison. The latter ones are being used for the design of orthopaedic products. It is shown that the composites based on polyphenylene sulfide are characterized by higher values of flexural strength, flexural and shear moduli, and interlaminar fracture toughness ( G IC), the latter being the most important parameter.

  17. Stability characteristics of compressible boundary layers over thermo-mechanically compliant walls

    Science.gov (United States)

    Dettenrieder, Fabian; Bodony, Daniel

    2017-11-01

    Transition prediction at hypersonic flight conditions continues to be a challenge and results in conservative safety factors that increase vehicle weight. The weight and thus cost reduction of the outer skin panels promises significant impact; however, fluid-structure interaction due to unsteady perturbations in the laminar boundary layer regime has not been systematically studied at conditions relevant for reusable, hypersonic flight. In this talk, we develop and apply convective and global stability analyses for compressible boundary layers over thermo-mechanically compliant panels. This compliance is shown to change the convective stability of the boundary layer modes, with both stabilization and destabilization observed. Finite panel lengths are shown to affect the global stability properties of the boundary layer.

  18. Compilation of data for thermomechanical analyses of four potential salt repositories

    International Nuclear Information System (INIS)

    Tammemagi, H.Y.; Loken, M.C.; Osnes, J.D.; Wagner, R.A.

    1986-01-01

    This report includes a collection and summarization of the data which are necessary to perform thermomechanical analyses of four potential salt repository sites: Paradox Basin, Utah; Permian Basin, Texas; Richton Dome, Mississippi; and Vacherie Dome, Louisiana. Thermal, mechanical, and hydrogeological material properties are presented so that the numerical analyses can be subdivided into three geometric regions: canister, disposal room, and repository site. Data are presented for the salt formations, the surrounding geological units, and for human-made materials placed in the repository such as the nuclear waste and its protective steel liner. Wherever possible, site-specific data are used which have been determined from laboratory testing of drill core or from interpretation of geophysical logs. Although much effort has been made to obtain the most appropriate data, there are deficiencies because some of the required site-specific data are either not available or are inconsistent with anticipated values

  19. Brain alpha-ketoglutarate dehydrogenase complex: kinetic properties, regional distribution, and effects of inhibitors.

    Science.gov (United States)

    Lai, J C; Cooper, A J

    1986-11-01

    The substrate and cofactor requirements and some kinetic properties of the alpha-ketoglutarate dehydrogenase complex (KGDHC; EC 1.2.4.2, EC 2.3.1.61, and EC 1.6.4.3) in purified rat brain mitochondria were studied. Brain mitochondrial KGDHC showed absolute requirement for alpha-ketoglutarate, CoA and NAD, and only partial requirement for added thiamine pyrophosphate, but no requirement for Mg2+ under the assay conditions employed in this study. The pH optimum was between 7.2 and 7.4, but, at pH values below 7.0 or above 7.8, KGDHC activity decreased markedly. KGDHC activity in various brain regions followed the rank order: cerebral cortex greater than cerebellum greater than or equal to midbrain greater than striatum = hippocampus greater than hypothalamus greater than pons and medulla greater than olfactory bulb. Significant inhibition of brain mitochondrial KGDHC was noted at pathological concentrations of ammonia (0.2-2 mM). However, the purified bovine heart KGDHC and KGDHC activity in isolated rat heart mitochondria were much less sensitive to inhibition. At 5 mM both beta-methylene-D,L-aspartate and D,L-vinylglycine (inhibitors of cerebral glucose oxidation) inhibited the purified heart but not the brain mitochondrial enzyme complex. At approximately 10 microM, calcium slightly stimulated (by 10-15%) the brain mitochondrial KGDHC. At concentrations above 100 microM, calcium (IC50 = 1 mM) inhibited both brain mitochondrial and purified heart KGDHC. The present results suggest that some of the kinetic properties of the rat brain mitochondrial KGDHC differ from those of the purified bovine heart and rat heart mitochondrial enzyme complexes. They also suggest that the inhibition of KGDHC by ammonia and the consequent effect on the citric acid cycle fluxes may be of pathophysiological and/or pathogenetic importance in hyperammonemia and in diseases (e.g., hepatic encephalopathy, inborn errors of urea metabolism, Reye's syndrome) where hyperammonemia is a

  20. Structure and properties of silver sulfate complexes derived from dipyridyl methylthio ligands with secondary donor site

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wen-Hua; Yan, Hao-Jie; Chen, Hui; Liu, Rui-Heng; Li, Ai-Min; Wang, Guo [Beijing Key Laboratory for Optical Materials and Photonic Devices, Department of Chemistry, Capital Normal University, Beijing 100048 (China); Wan, Chong-Qing, E-mail: wancq@cnu.edu.cn [Beijing Key Laboratory for Optical Materials and Photonic Devices, Department of Chemistry, Capital Normal University, Beijing 100048 (China); State Key Laboratory of Structural Chemistry in China, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2017-06-15

    Dipyridyl sulphide ligands 4-(pyridin-4-ylmethylthio)pyridine (abbreviated as L1) and 3-(pyridin-4-ylmethylthio)pyridine (abbreviated as L2) have been designed and used as μ-{sub N},{sub N}-bridging linkages to construct coordination polymers with free –S–CH{sub 2}– groups as secondary donor sites. By use solvent control method, coordination polymers ([Ag{sub 3}SO{sub 4}(L1){sub 3}](Cl)·4.5H{sub 2}O){sub ∞}(1), ([Ag{sub 2}SO{sub 4}(L1){sub 2}]·6H{sub 2}O·2CH{sub 3}OH){sub ∞}(2), ([Ag{sub 2}SO{sub 4}(L2){sub 2}]·H{sub 2}O){sub ∞}(3) and ([Ag{sub 4}(SO{sub 4}){sub 2}(L2){sub 4}]·5H{sub 2}O){sub ∞}(4) with different architectures were obtained. Complexes 1, 3 and 4 feature 1D channel with different sizes and structures. Complex 1 exhibits guest exchange by THF and 1,4-dioxane, and Hg{sup 2+} sorption ability from solution due to its relative larger channel and available bonding sites of –S– exposed to the channel region. All complexes have been characterized through single-crystal and powder X-ray diffraction (PXRD), FT-IR spectra, X-ray photoelectron spectroscopy (XPS), elemental and thermogravimetric analyses. The guest exchange and Hg{sup 2+} sorption were monitored and identified, and the structure-property relationship of coordination polymers 1–4 are discussed. - Graphical abstract: Coordination polymers of silver(I) sulfate with secondary donor sites are shown guest exchange property and Hg{sup 2+} absorb ability from solution. This work provides a new method to construct functional materials with potential application. - Highlights: • New example of constructing functional coordination polymer with secondary donor methylthio group. • Guest exchange and interesting Hg(II) absorb ability from solution are investigated. • New method to construct functional materials with potential application.

  1. Thermomechanical macroscopic model of shape memory alloys

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  2. Thermomechanical Behavior of Monolithic SN-AG-CU Solder and Copper Fiber Reinforced Solders

    National Research Council Canada - National Science Library

    Reuse, Rolando

    2005-01-01

    .... The thermomechanical cycling in the solder causes numerous reliability challenges, mostly because of the mismatch of the coefficient of thermal expansion between the silicon chip and the substrate...

  3. Thermo-mechanical treatment of the Cr-Mo constructional steel plates with Nb, Ti and B additions

    International Nuclear Information System (INIS)

    Adamczyk, J.; Opiela, M.

    2002-01-01

    Results of investigations of the influence of parameters of thermomechanical treatment, carried out by rolling with controlled recrystallization, on the microstructure and mechanical properties of Cr-Mo constructional steel with Nb, Ti and B microadditions, destined for the manufacturing of weldable heavy plates, are presented. These plates show a yield point of over 960 MPa after heat treatment. Two variants of thermomechanical treatment were worked out, based on the obtained results of investigations, when rolling a plate 40 mm thick in several passes to a plate 15 mm thick in a temperature range from 1100 to 900 o C. It was found that the lack of complete recrystallization of the austenite in the first rolling variant, leads to localization of plastic deformation in form of shear bands. There exists a segregation of MC-type carbides and alloying elements in these bands, causing a distinctive reduction of the crack resistance of the steel, as also a disadvantageous anisotropy of plastic properties of plate after tempering. For plates rolled under the same conditions, using a retention shield, a nearly three times higher impact energy in - 40 o C was obtained, as also only a slight anisotropy of plastic properties, saving the required mechanical properties. (author)

  4. The Complex Trauma Questionnaire (ComplexTQ:Development and preliminary psychometric properties of an instrument for measuring early relational trauma

    Directory of Open Access Journals (Sweden)

    Carola eMaggiora Vergano

    2015-09-01

    Full Text Available Research on the etiology of adult psychopathology and its relationship with childhood trauma has focused primarily on specific forms of maltreatment. This study developed an instrument for the assessment of childhood and adolescence trauma that would aid in identifying the role of co-occurring childhood stressors and chronic adverse conditions. The Complex Trauma Questionnaire (ComplexTQ, in both clinician and self-report versions, is a measure for the assessment of multi-type maltreatment: physical, psychological, and sexual abuse; physical and emotional neglect as well as other traumatic experiences, such rejection, role reversal, witnessing domestic violence, separations, and losses. The four-point Likert scale allows to specifically indicate with which caregiver the traumatic experience has occurred. A total of 229 participants, a sample of 79 nonclinical and that of 150 high-risk and clinical participants, were assessed with the ComplexTQ clinician version applied to Adult Attachment Interview (AAI transcripts. Initial analyses indicate acceptable inter-rater reliability. A good fit to a 6-factor model regarding the experience with the mother and to a 5-factor model with the experience with the father was obtained; the internal consistency of factors derived was good. Convergent validity was provided with the AAI scales. ComplexTQ factors discriminated normative from high-risk and clinical samples. The findings suggest a promising, reliable, and valid measurement of early relational trauma that is reported; furthermore, it is easy to complete and is useful for both research and clinical practice.

  5. Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Cheng-Yang [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Lei, Xiao-Wu, E-mail: xwlei_jnu@163.com [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); Yi, Fei-Yan, E-mail: yifeiyan@nbu.edu.cn [Faculty of Materials Science & Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211 (China)

    2016-03-15

    The incorporation of unsaturated [Mn(1,2-dap)]{sup 2+}, [Mn(1,2-dap){sub 2}]{sup 2+}, [Mn(2,2-bipy)]{sup 2+} (1,2-dap=1,2-diaminopropane) complex cations with thioarsenate anions of [As{sup III}S{sub 3}]{sup 3−} and [As{sup V}S{sub 4}]{sup 3−} led to three new hybrid manganese thioarsenates, namely, [Mn(1,2-dap)]{sub 2}MnAs{sub 2}S{sub 6} (1), [Mn(1,2-dap){sub 2}]{[Mn(1,2-dap)]_2As_2S_8} (2) and (NH{sub 4})[Mn(2,2-bipy){sub 2}]AsS{sub 4} (3). In compound 1, the unsaturated [Mn(1,2-dap)]{sup 2+} complexes, [MnS{sub 4}]{sup 6−} tetrahedra and [As{sup III}S{sub 3}]{sup 3−} trigonal-pyramids are condensed to form the 1D [Mn(1,2-dap)]{sub 2}MnAs{sub 2}S{sub 6} chain, whereas compound 2 features 2D layer composed of [Mn(1,2-dap)]{sup 2+} and [Mn(1,2-dap){sub 2}]{sup 2+} complexes as well as [As{sup V}S{sub 4}]{sup 3−} tetrahedral units. For compound 3, two [As{sup V}S{sub 4}]{sup 3−} anions bridge two [Mn(2,2-bipy)]{sup 2+} complex cations into a butterfly like {[Mn(2,2-bipy)]_2As_2S_8}{sup 2−} anionic unit. Magnetic measurements indicate the ferrimagnetic behavior for compound 1 and antiferromagnetic (AF) behaviors for compounds 2–3. The UV–vis diffuse-reflectance measurements and electronic structural calculations based on density functional theory (DFT) revealed the title compounds belong to semiconductors with band gaps of 2.63, 2.21, and 1.97 eV, respectively. The narrow band-gap of compound 3 led to the efficient and stable photocatalytic degradation activity over organic pollutant than N-doped P25 under visible light irradiation. - Highlights: Three new hybrid manganese thioarsenates have been prepared and structurally characterized. These hybrid phases feature interesting magnetic and visible light responding photocatalytic properties.

  6. Effects of thermal aging on thermo-mechanical behavior of a glass sealant for solid oxide cell applications

    DEFF Research Database (Denmark)

    Abdoli, Hamid; Alizadeh, Parvin; Boccaccini, Dino

    2014-01-01

    Thermo-mechanical properties of a silicate based glass and its potential use for sealing application in intermediate temperature solid oxide cell (SOC) are presented in this paper. Effects of thermal aging are discussed on structural and microstructural evolution, thermal expansion, viscosity......'s modulus in which a transition between a slow softening (elastic) regime and a rapid softening one was observed. Crystallization induced by thermal aging led to higher creep resistance, but lower capability of crack healing when inspected by electron microscopy. However, potential of stress relaxation...

  7. Complexation of rice starch/flour and maize oil through heat moisture treatment: Structural, in vitro digestion and physicochemical properties.

    Science.gov (United States)

    Chen, Xu; He, Xiaowei; Fu, Xiong; Zhang, Bin; Huang, Qiang

    2017-05-01

    This study investigated structural, in vitro digestion and physicochemical properties of normal rice starch (NRS)/flour (NRF) complexed with maize oil (MO) through heat-moisture treatment (HMT). The NRS-/NRF-MO complex displayed an increased pasting temperature and a decreased peak viscosity. After HMT, less ordered Maltese and more granule fragments were observed for NRS-/NRF-MO complex. Meanwhile, more aggregation was observed in the HMT samples with higher moisture contents. We found that higher onset temperature, lower enthalpy change and relative crystallinity of the NRS-/NRF-MO complex were associated with a higher moisture content of HMT samples. The higher moisture content of HMT was also favorable for the amylose-lipid complex formation. Differences in starch digestion properties were found for NRS-MO and NRF-MO complex. All of the NRS/NRF complexed MO after cooking showed lower rapidly digestible starch (RDS) contents compared with the control sample, therein NRS-/NRF- MO 20% exhibited the highest sum of the slowly digestible starch and resistant starch contents. In general, HMT had a greater impact on the in vitro digestion and physicochemical properties of flour samples compared with starch counterparts. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Structural and thermal characterization of ternary complexes of piroxicam and alanine with transition metals: Uranyl binary and ternary complexes of piroxicam. Spectroscopic characterization and properties of metal complexes

    Science.gov (United States)

    Mohamed, Gehad G.

    2005-12-01

    Ternary Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and UO 2(II) complexes with piroxicam (Pir) drug (H 2L 1) and dl-alanine (Ala) (HL 2) and also the binary UO 2(II) complex with Pir were studied. The structures of the complexes were elucidated using elemental, IR, molar conductance, magnetic moment, diffused reflectance and thermal analyses. The UO 2(II) binary complex was isolated in 1:2 ratio with the formula [UO 2(H 2L) 2](NO 3) 2. The ternary complexes were isolated in 1:1:1 (M:H 2L 1:L 2) ratios. The solid complexes were isolated in the general formulae [M(H 2L)(L 2)(Cl) n(H 2O) m]· yH 2O (M = Fe(III) ( n = 2, m = 0, y = 1), Co(II) ( n = 1, m = 1, y = 2) and Ni(II) ( n = 1, m = 1, y = 0)); [M(H 2L)(L 2)](X) z· yH 2O (M = Cu(II) (X = AcO, z = 1, y = 0), Zn(II) (X = AcO, z = 1, y = 3) and UO 2(II) (X = NO 3, z = 1, y = 2)). Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine-N and carbonyl-O groups, while Ala behaves as a uninegatively bidentate ligand coordinated to the metal ions via the deprotonated carboxylate-O and amino-N. The magnetic and reflectance spectral data show that the complexes have octahedral geometry except Cu(II) and Zn(II) complexes have tetrahedral structures. The thermal decomposition of the complexes was discussed in relation to structure, and the thermodynamic parameters of the decomposition stages were evaluated.

  9. Insights into the Intramolecular Properties of η6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations

    Directory of Open Access Journals (Sweden)

    Adebayo A. Adeniyi

    2013-01-01

    Full Text Available The factors that determine the stability and the effects of noncovalent interaction on the η6-arene ruthenium anticancer complexes are determined using DFT method. The intramolecular and intra-atomic properties were computed for two models of these half-sandwich ruthenium anticancer complexes and their respective hydrated forms. The results showed that the stability of these complexes depends largely on the network of hydrogen bonds (HB, strong nature of charge transfer, polarizability, and electrostatic energies that exist within the complexes. The hydrogen bonds strength was found to be related to the reported anticancer activities and the activation of the complexes by hydration. The metal–ligand bonds were found to be closed shell systems that are characterised by high positive Laplacian values of electron density. Two of the complexes are found to be predominantly characterised by LMCT while the other two are predominately characterised by MLCT.

  10. Microwave absorbing property and complex permittivity and permeability of graphene–CdS nanocomposite

    International Nuclear Information System (INIS)

    Zhang, Dong-Dong; Zhao, Dong-Lin; Zhang, Ji-Ming; Bai, Li-Zhong

    2014-01-01

    Graphical abstract: Graphene–CdS (G–CdS) nanocomposite with a good structural interface and enhanced microwave absorption has been successfully and directly synthesized from graphene oxide via a facile hydrothermal approach. The permittivity of G–CdS nanocomposite presents triple dielectric relaxations by constructing a good structural G–CdS interface. The triple dielectric relaxations are critical to improve the microwave absorption of the G–CdS nanocomposite. Highlights: • Graphene–CdS (G–CdS) nanocomposite was directly synthesized from graphene oxide. • The G–CdS nanocomposite exhibits enhanced microwave absorption. • The permittivity of G–CdS nanocomposite presents triple dielectric relaxations. -- Abstract: The graphene–CdS (G–CdS) nanocomposite with enhanced microwave absorption was directly synthesized from graphene oxide (GO) via a facile hydrothermal approach, during which the formation of CdS nanoparticles and the reduction of GO occured simultaneously. The morphology, structure, microwave absorbing property, complex permittivity and permeability of G–CdS nanocomposite were systematically investigated by transmission electron microscope, X-ray diffraction and the coaxial line method. The complex permittivity of G–CdS nanocomposite presents triple dielectric relaxations with constructing a good structural graphene–CdS interface. The triple dielectric relaxations were critical to improve the microwave absorption of G–CdS nanocomposite. The G–CdS nanocomposite achieved a reflection loss below –10 dB in the frequency range of 5.2–18 GHz when adjusting the thicknesses from 2 to 5 mm, which was mainly ascribed to the proper electromagnetic matching of the CdS nanoparticles and graphene sheets, and the triple dielectric relaxations. The G–CdS nanocomposite is promising as a lightweight and wide-frequency microwave absorber

  11. Physical-chemical and biocatalytic properties of a proteolytic complex of the preparation "Protepsin"

    Directory of Open Access Journals (Sweden)

    L. V. Antipova

    2016-01-01

    Full Text Available Enzymatic technologies were included strongly into practical activities of the person, the volume of the world market constantly grows and is updated. However the domestic production of enzymatic preparations very lags behind world level that is in many respects connected with insufficient scientific and technical base for a wide circulation of technologies in large-scale production. At the same time there were Russian producers of enzymatic preparations from animal fabrics and bodies for processing of raw materials of an animal origin, according to forecasts, of interest in rational use of resources of an animal origin. In article data on research of properties of the enzymatic preparation "Protepsin" and an assessment of prospects of application are provided in processing of raw materials of an animal origin. The enzymatic preparation "Protepsin" made in the conditions of JSC Plant of Endocrine Enzymes (Rzhavki, Moscow region activity at action on proteins of meat shows, including the strengthened structure, has milk-clotting effect, is active in the field of pH 4,0-6,0 and temperature 20-45zs. The proteinaceous complex includes 4 fractions, 2 from which possess the general proteolytic activity. One of them shows the general proteolytic and milk-clotting activity. Enzymes differ in an amino-acid set and molecular weight. The method of a disk electrophoresis determined molecular-mass structure of "Protepsin". The preparation inactivation conditions guaranteeing its safety in the production technology of foodstuff as active proteolytic enzymes in the course of digestion can cause violations of integrity of fabrics and corresponding diseases are shown. Thus, conditions of use of a perspective proteolytic preparation in technology of a wide range of food of an animal origin are in a complex proved and picked up.

  12. Surfactant induced complex formation and their effects on the interfacial properties of seawater.

    Science.gov (United States)

    Guzmán, Eduardo; Santini, Eva; Benedetti, Alessandro; Ravera, Francesca; Ferrari, Michele; Liggieri, Libero

    2014-11-01

    The effect of a cationic surfactant, hexadecyltrimethylammonium bromide (CTAB), on the interfacial properties of seawater has been studied by dynamic and equilibrium surface tension and by dilational rheology essays. Important modifications of the surface tension and dilational rheology response have been observed already at the very low CTAB concentrations, where the effects due to the high ionic strength are negligible. The comparison with the effects of CTAB in different seawater models, or in natural seawater fractions, points out the establishment of strong interactions between the surfactant molecules and the lipophilic fraction of organic material dispersed/dissolved in seawater, affecting the interfacial activity of the molecules. Considering the biochemical richness of seawater, these results can be explained assuming interaction mechanisms and adsorption schemes similar to those speculated for protein and other macromolecules in the presence of surfactants, which in fact show similar features. Thus already at the low concentrations the surfactant molecules form highly surface-active complexes with part of the organic fraction of seawater. At the larger surfactant concentrations these complexes compete for adsorption with an excess of free CTAB molecules which, according to the thermodynamic conditions, are most favoured to occupy the liquid interface. The results of this study underline the important role of the sea organic content in enhancing the surface-activity of surfactants, which is relevant for a deeper understand of the direct and indirect effects of these types of pollutants on the physico-chemical environment in the sea coastal areas and develop mitigation strategies. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Goniophotometry and assessment of bidirectional photometric properties of complex fenestration systems

    Energy Technology Data Exchange (ETDEWEB)

    Andersen, M. [Building Technology Programme, Department of Architecture, Massachusetts Institute of Technology, Cambridge, MA (United States); Boer, J. de [Fraunhofer Institute for Building Physics, Stuttgart (Germany)

    2006-07-01

    This paper seeks to provide an overview of the currently available assessment tools for bidirectional transmission or reflection distribution functions (BTDFs and BRDFs) of complex fenestration systems (CFS). In the first part of the paper, the existing experimental devices (goniophotometers) developed specifically for CFS measurement are described. All but two are based on a scanning process to investigate the emerging light flux distribution, the alternative approach being based on digital imaging techniques. A critical analysis of their advantages and shortcomings is proposed to provide both researchers interested in replicating them and more generally potential users of BTDF or BRDF data with a lucid idea of the available options. The second part presents an alternative to physical measurements, made possible by using computer simulations based on ray-tracing techniques. In this case, every component of the modelled system must be of well-known geometric and material properties. Two virtual goniophotometer models are described and their validation results are analyzed. Whether they have been generated experimentally or through simulation, BTDF and BRDF data need to be processed into transmission or reflection functions that are directly related to sky and room conditions for them to be usable. The third part of the paper introduces a new BT(R)DF database management system whose aim is to become a reference resource for viewing and interpreting these complex data. The main visualization features of its interface are presented, that include a special focus on flexibility and on providing intuitive graphical information, in a similar way as for luminaires selection in electric lighting design. (author)

  14. Synthesis and optoelectronic properties of oxadiazole-functionalized iridium complexes in the poly(vinylcarbazole)-hosted devices

    International Nuclear Information System (INIS)

    Wu Zhonglian; Luo Cuiping; Jiang Changyun; Zhu Meixiang; Cao, Yong; Zhu Weiguo

    2008-01-01

    A class of oxadiazole-functionalized iridium complexes was used as phosphor emitters in poly (vinylcarbazole)-hosted devices. Efficient green electrophosphorescences were achieved in the devices with a maximum luminance efficiency of 9.3 cd/A at 10.6 mA/cm 2 and brightness of 3882 cd/m 2 at 92.1 mA/cm 2 . More importantly, the iridium complexes-doped devices exhibited a low turn-on voltage of 7.0 V and an applied voltage of 9.2 V at 500 cd/m 2 . The good optoelectronic properties of the complexes were attributed to the enhanced electron-injection and transport properties resulting from the effect of oxadiazole ligands in the complexes

  15. Influence of bidentate structure of an aryl phosphine oxide ligand on photophysical properties of its Eu~Ⅲ complex

    Institute of Scientific and Technical Information of China (English)

    许辉; 魏莹; 赵保敏; 黄维

    2010-01-01

    The bidentate phosphine oxide ligand 1,8-bis(diphenylphosphino) naphthalene oxide (NAPO) and its EuⅢ complex 1 Eu(TTA)3(NAPO) (TTA=2-thenoyltrifluoroacetonate) were chosen to study the effect of bidentate phosphine oxide ligand on the photophysical properties of the corresponding complex. The intramolecular energy transfer processes of 1 were studied. The investigation showed that with bidentate structure NAPO could suppress solvent-induced quenching by enforcing the ligand-ligand interaction and the rigidi...

  16. Comparison of Structurally–Related Alkoxide, Amine, and Thiolate–Ligated MII (M= Fe, Co) Complexes: the Influence of Thiolates on the Properties of Biologically Relevant Metal Complexes

    Science.gov (United States)

    Brines, Lisa M.; Villar-Acevedo, Gloria; Kitagawa, Terutaka; Swartz, Rodney D.; Lugo-Mas, Priscilla; Kaminsky, Werner; Benedict, Jason B.; Kovacs, Julie A.

    2009-01-01

    Mechanistic pathways of metalloenzymes are controlled by the metal ion’s electronic and magnetic properties, which are tuned by the coordinated ligands. The functional advantage gained by incorporating cysteinates into the active site of non-heme iron enzymes such as superoxide reductase (SOR) is not entirely understood. Herein we compare the structural and redox properties of a series of structurally–related thiolate, alkoxide, and amine–ligated Fe(II) complexes in order to determine how the thiolate influences properties critical to function. Thiolates are shown to reduce metal ion Lewis acidity relative to alkoxides and amines, and have a strong trans influence thereby helping to maintain an open coordination site. Comparison of the redox potentials of the structurally analogous compounds described herein indicates that alkoxide ligands favor the higher-valent Fe3+ oxidation state, amine ligands favor the reduced Fe2+ oxidation state, and thiolates fall somewhere in between. These properties provide a functional advantange for substrate reducing enzymes in that they provide a site at the metal ion for substrate to bind, and a moderate potential that facilitates both substrate reduction, and regeneration of the catalytically active reduced state. Redox potentials for structurally–related Co(II) complexes are shown to be cathodically–shifted relative to their Fe(II) analogues, making them ineffective reducing agents for substrates such as superoxide. PMID:21731109

  17. Evaluation of Thermal and Thermo-mechanical Behavior of Full-scale Energy Foundations

    Science.gov (United States)

    Murphy, Kyle D.

    This study focuses on the thermo-mechanical and thermal behavior of full-scale energy foundations installed as part of two buildings recently constructed in Colorado. The soil stratigraphy at each of the sites differed, but both foundations were expected to function as primarily end-bearing elements with a tip socketed into rock. The heat exchanger configurations were also different amongst the foundations at both sites, permitting evaluation of the role of heat exchange. A common thread for both energy foundation case histories was the monitoring of the temperature and axial strain within the foundations during heat exchange operations. The first case study involves an evaluation of the long-term thermo-mechanical response of two full-scale energy foundations installed at the new Denver Housing Authority (DHA) Senior Living Facility at 1099 Osage St. in Denver, Colorado. Due to the construction schedule for this project, the thermal properties of the foundations and surrounding subsurface could not be assessed using thermal response tests. However, instrumentation was incorporated into the foundations to assess their long-term heat exchange response as well as the thermo-mechanical strains, stresses, and displacements that occurred during construction and operation of the ground-source heat pump system. The temperature changes within the foundations during heating and cooling operations over a period of approximately 600 days ranged from 9 to 32 °C, respectively. The thermal axial stresses in the foundations were calculated from the measured strains, and ranged from 3.1 MPa during heating to --1.0 MPa during cooling. These values are within reasonable limits for reinforced concrete structures. The maximum thermal axial stress was observed near the toe of both foundations, which is consistent with trends expected for end-bearing toe boundary conditions. The greatest thermal axial strains were observed near the top of the foundations (upward expansion during

  18. Effects of major histocompatibility complex class II knockout on mouse bone mechanical properties during development

    Science.gov (United States)

    Simske, Steven J.; Bateman, Ted A.; Smith, Erin E.; Ferguson, Virginia L.; Chapes, Stephen K.

    2002-01-01

    We investigated the effect of major histocompatibility complex class II (MHC II) knockout on the development of the mouse peripheral skeleton. These C2D mice had less skeletal development at 8, 12 and 16 weeks of age compared to wild-type C57BL/6J (B6) male mice. The C2D mice had decreased femur mechanical, geometric and compositional measurements compared to wild type mice at each of these ages. C2D femur stiffness (S), peak force in 3-pt bending (Pm), and mineral mass (Min-M) were 74%, 64% and 66%, respectively, of corresponding B6 values at 8 weeks of age. Similar differences were measured at 12 weeks (for which C2D femoral S, Pm and Min-M were 71%, 72% and 73%, respectively, of corresponding B6 values) and at 16 weeks (for which C2D femoral S, Pm and Min-M were 80%, 66% and 61%, respectively, of corresponding B6 values). MHC II knockout delays the development of adult bone properties and is accompanied by lower body mass compared to wild-type controls.

  19. The steady-state and time-resolved photophysical properties of a dimeric indium phthalocyanine complex

    International Nuclear Information System (INIS)

    Chen Yu; Araki, Yasuyuki; Dini, Danilo; Liu Ying; Ito, Osamu; Fujitsuka, Mamoru

    2006-01-01

    The steady-state and time-resolved photophysical properties and some molecular orbital calculation results of a dimeric indium phthalocyanine complex with an indium-indium bond, i.e., [tBu 4 PcIn] 2 .2tmed, have been described. The results regarding triplet excited state lifetimes can be ascribed to strong intramolecular interactions existing only in the excited state of this dimer because no significant difference in the absorption spectra of the tBu 4 PcInCl monomer and the [tBu 4 PcIn] 2 .2tmed dimer is observed, suggesting that no ground-state interaction can be assessed. The deactivation processes of the excited singlet state of [tBu 4 PcIn] 2 .2tmed are apparently faster than that of μ-oxo-bridged PcIn dimer [tBu 4 PcIn] 2 O. Molecular orbital calculation on the PcIn dimer shows no node between two indium atoms was found in the HOMO - 2 of the PcIn-InPc dimer, suggesting that bonding electrons distribute between two indium atoms

  20. Synthesis, Characterization and Spectral Properties of Substituted Tetraphenylporphyrin Iron Chloride Complexes

    Directory of Open Access Journals (Sweden)

    Kai Li

    2011-04-01

    Full Text Available A series of substituted tetraphenylporphyrin iron chloride complexes [RTPPFe(IIICl, R=o/p-NO2, o/p-Cl, H, o/p-CH3, o/p-OCH3] were synthesized by a novel universal mixed-solvent method and the spectral properties of free base porphyrins and iron porphyrin compounds were compared with each other. The experimental results showed that the one-pot mixed solvent method was superior to the two-step method in the yields, reaction time and workup of reaction mixtures for the synthesis of iron porphyrin compounds. The highest yields (28.7%-40.4% of RTPPFe(IIICl were obtained in the mixed solvents propionic acid, glacial acetic acid and m-nitrotoluene under reflux for 2 h. A detailed analysis of ultraviolet-visible (UV-vis, infrared (IR and far-infrared (FIR spectra suggested the transformation from free base porphyrins to iron porphyrins. The red shift of the Soret band in ultraviolet-visible spectra due to the presence of p-nitrophenyl substituents and the blue shift of Fe-Cl bond of TPPFeCl in far-infrared spectra were further explained by the electron transfer and molecular planarity in the porphyrin ring.

  1. Combining measurements to estimate properties and characterization extent of complex biochemical mixtures; applications to Heparan Sulfate

    Science.gov (United States)

    Pradines, Joël R.; Beccati, Daniela; Lech, Miroslaw; Ozug, Jennifer; Farutin, Victor; Huang, Yongqing; Gunay, Nur Sibel; Capila, Ishan

    2016-04-01

    Complex mixtures of molecular species, such as glycoproteins and glycosaminoglycans, have important biological and therapeutic functions. Characterization of these mixtures with analytical chemistry measurements is an important step when developing generic drugs such as biosimilars. Recent developments have focused on analytical methods and statistical approaches to test similarity between mixtures. The question of how much uncertainty on mixture composition is reduced by combining several measurements still remains mostly unexplored. Mathematical frameworks to combine measurements, estimate mixture properties, and quantify remaining uncertainty, i.e. a characterization extent, are introduced here. Constrained optimization and mathematical modeling are applied to a set of twenty-three experimental measurements on heparan sulfate, a mixture of linear chains of disaccharides having different levels of sulfation. While this mixture has potentially over two million molecular species, mathematical modeling and the small set of measurements establish the existence of nonhomogeneity of sulfate level along chains and the presence of abundant sulfate repeats. Constrained optimization yields not only estimations of sulfate repeats and sulfate level at each position in the chains but also bounds on these levels, thereby estimating the extent of characterization of the sulfation pattern which is achieved by the set of measurements.

  2. Proceedings of the first thermomechanical workshop for shale

    International Nuclear Information System (INIS)

    1986-03-01

    Chapter 2 provides a description of the three federal regulations that pertain to the development of a high-level nuclear waste repository regardless of the rock type. Chapter 3 summarizes the reference shale repository conditions selected for this workshop. A room-and-pillar configuration was considered at an extraction ratio of about 0.25. The depth was assumed to be 700 m. Chapter 4 gives a summary of several case histories that were considered to be valuable in gaining an understanding of some of the design and construction features that might be unique in creating underground openings in shale. Chapter 5 assesses the data and information needs, availability, technology for acquisition, and the research and development necessary for analytical/numerical modeling in heat transfer, fluid flow, and thermomechanics. Chapter 6 assesses data and information needs in the laboratory and considerations associated with shale rock characterization. Chapter 7 assesses the data and information needs, availability, technology for acquisition, and the research and development necessary for field/in situ testing. Chapter 8 presents the consensus of the workshop participants that there is a definite need to advance the state of knowledge concerning the thermomechanical behavior of shales and to gain experience in applying this knowledge to the design of room-and-pillar excavations. Finally, Chapter 9 provides a summary of the research and development needs in the various interacting activities of repository development, including analytical/numerical modeling, laboratory testing, and field/in situ testing. The main conclusion of the workshop was that a need exists for an aggressive program in laboratory, field, numerical modeling, and design studies to provide a thermomechanical, technological base for comparison of shale types and shale regions/areas/sites

  3. Thermal and thermo-mechanical simulation of laser assisted machining

    International Nuclear Information System (INIS)

    Germain, G.; Dal Santo, P.; Lebrun, J. L.; Bellett, D.; Robert, P.

    2007-01-01

    Laser Assisted Machining (LAM) improves the machinability of materials by locally heating the workpiece just prior to cutting. The heat input is provided by a high power laser focused several millimeters in front of the cutting tool. Experimental investigations have confirmed that the cutting force can be decreased, by as much as 40%, for various materials (tool steel, titanium alloys and nickel alloys). The laser heat input is essentially superficial and results in non-uniform temperature profiles within the depth of the workpiece. The temperature field in the cutting zone is therefore influenced by many parameters. In order to understand the effect of the laser on chip formation and on the temperature fields in the different deformation zones, thermo-mechanical simulation were undertaken. A thermo-mechanical model for chip formation with and without the laser was also undertaken for different cutting parameters. Experimental tests for the orthogonal cutting of 42CrMo4 steel were used to validate the simulation via the prediction of the cutting force with and without the laser. The thermo-mechanical model then allowed us to highlight the differences in the temperature fields in the cutting zone with and without the laser. In particular, it was shown that for LAM the auto-heating of the material in the primary shear zone is less important and that the friction between the tool and chip also generates less heat. The temperature fields allow us to explain the reduction in the cutting force and the resulting residual stress fields in the workpiece

  4. Thermo-mechanical modelling of salt caverns due to fluctuating loading conditions.

    Science.gov (United States)

    Böttcher, N.

    2015-12-01

    This work summarizes the development and application of a numerical model for the thermo-mechanical behaviour of salt caverns during cyclic gas storage. Artificial salt caverns are used for short term energy storage, such as power-to-gas or compressed air energy storage. Those applications are characterized by highly fluctuating operation pressures due to the unsteady power levels of power plants based on renewable energy. Compression and expansion of the storage gases during loading and unloading stages lead to rapidly changing temperatures in the host rock of the caverns. This affects the material behaviour of the host rock within a zone that extends several meters into the rock mass adjacent to the cavern wall, and induces thermo-mechanical stresses and alters the creep response.The proposed model features the thermodynamic behaviour of the storage medium, conductive heat transport in the host rock, as well as temperature dependent material properties of rock salt using different thermo-viscoplastic material models. The utilized constitutive models are well known and state-of-the-art in various salt mechanics applications. The model has been implemented into the open-source software platform OpenGeoSys. Thermal and mechanical processes are solved using a finite element approach, coupled via a staggered coupling scheme. The simulation results allow the conclusion, that the cavern convergence rate (and thus the efficiency of the cavern) is highly influenced by the loading cycle frequency and the resulting gas temperatures. The model therefore allows to analyse the influence of operation modes on the cavern host rock or on neighbouring facilities.

  5. Determination of the thermodynamic properties of complexation and extraction by micro-calorimetry

    International Nuclear Information System (INIS)

    Charbonnel, M.Ch.; Flandin, J.L.

    2000-01-01

    The CEA is currently developing the DIAMEX process, the first step in the strategy for the separation of minor actinides from high-level radioactive waste. The extractant belongs to the diamide family of molecules and is able to co-extract trivalent actinides and lanthanides. This study focuses on the thermodynamic properties (ΔH, ΔG, ΔS) of lanthanide extraction by malonamide in order to better understand the mechanisms involved and to account for differences in the behavior of various diamide extractants. The main technique used is microcalorimetric titration. The Thermal Activity Monitor (TAM) microcalorimeter is a modular system with a highly stable (± 0.1 mK) temperature-controlled bath containing up to four calorimetry vessel units. The sensor bulbs inserted in the reaction vessel can measure heat flows in static or dynamic conditions. Micro-calorimetry, and calorimetric titration in particular, is a fast growing field due to technical improvements in both hardware and software. In the case of an equilibrium reaction, titration allows both Δ r G and Δ r H (and thus Δ r S) to be determined simultaneously. It was decided to initiate this thermochemical investigation with a homogeneous phase reaction, and the first study concerned the aqueous phase complexation of a trivalent lanthanide ion by a water-soluble diamide, tetraethyl-malonamide (TEMA: (C 2 H 5 ) 2 NCO-CH 2 CON(C 2 H 5 ) 2 ). In the test system, the heat of dilution of the diamide in water is preponderant over the heat arising from the complexation reaction; the result is a positive value corresponding to an endothermic reaction. However, the equilibration constant K and Δ H are both very small, and cannot be calculated from the resulting Q v f(n TEMA ) curves. Moreover, in aqueous phase, the reactions involved are different from those observed when neodymium(III) is extracted into an organic phase, and the medium must be further characterized before the calorimetry data can be fully

  6. Thermomechanical conditions and stresses on the friction stir welding tool

    Science.gov (United States)

    Atthipalli, Gowtam

    Friction stir welding has been commercially used as a joining process for aluminum and other soft materials. However, the use of this process in joining of hard alloys is still developing primarily because of the lack of cost effective, long lasting tools. Here I have developed numerical models to understand the thermo mechanical conditions experienced by the FSW tool and to improve its reusability. A heat transfer and visco-plastic flow model is used to calculate the torque, and traverse force on the tool during FSW. The computed values of torque and traverse force are validated using the experimental results for FSW of AA7075, AA2524, AA6061 and Ti-6Al-4V alloys. The computed torque components are used to determine the optimum tool shoulder diameter based on the maximum use of torque and maximum grip of the tool on the plasticized workpiece material. The estimation of the optimum tool shoulder diameter for FSW of AA6061 and AA7075 was verified with experimental results. The computed values of traverse force and torque are used to calculate the maximum shear stress on the tool pin to determine the load bearing ability of the tool pin. The load bearing ability calculations are used to explain the failure of H13 steel tool during welding of AA7075 and commercially pure tungsten during welding of L80 steel. Artificial neural network (ANN) models are developed to predict the important FSW output parameters as function of selected input parameters. These ANN consider tool shoulder radius, pin radius, pin length, welding velocity, tool rotational speed and axial pressure as input parameters. The total torque, sliding torque, sticking torque, peak temperature, traverse force, maximum shear stress and bending stress are considered as the output for ANN models. These output parameters are selected since they define the thermomechanical conditions around the tool during FSW. The developed ANN models are used to understand the effect of various input parameters on the total

  7. Rational thermomechanical parameters of pressing granulated heat resistant alloy-EhP741

    International Nuclear Information System (INIS)

    Garibov, G.S.; Frolov, A.A.; Ermanok, M.Z.; Kurakin, E.K.; Galkin, A.M.

    1976-01-01

    The paper deals with the development of thermomechanical parameters for the compacting of a granulated, heat-resistant, nickel-base alloy EP 741. With the flow-sheet of the technological process for the production of semi-manufactured products from granules being used as a starting point it was necessary, after compaction, to obtain a bar having optimum plastic properties and to know under what conditions these properties are to be found. On the basis of these assumptions the authors took as the optimized parameter the maximum value of the plasticity characteristic (e.g. relative to elongation of sigma) and measured it on samples cut out from a bar after compacting. The samples of granulated alloy EP 741 which were prepared from bars compacted in accordance with the plan for industrial-scale experiments were tested in factor space tsub(exp)-vsub(exp) (tsub(exp) - sample testing temperature, vsub(exp) - sample testing velocity). Using regressive analysis the authors obtained an equation describing variation of the maximum plasticity of the alloy as a function of temperature and reduction ratio. There were two repetitions of the experimental plan, at vsub(compaction) = 20 and 40mm/sec. A qualitative trend was observed in the influence of compaction velocity on the properties of the bars. The results of the final tests on extension and settling of samples cut from a compact billet showed a maximum for plastic properties at 1170-1180degC

  8. Thermomechanical processing of plasma sprayed intermetallic sheets

    Science.gov (United States)

    Hajaligol, Mohammad R.; Scorey, Clive; Sikka, Vinod K.; Deevi, Seetharama C.; Fleischhauer, Grier; Lilly, Jr., A. Clifton; German, Randall M.

    2001-01-01

    A powder metallurgical process of preparing a sheet from a powder having an intermetallic alloy composition such as an iron, nickel or titanium aluminide. The sheet can be manufactured into electrical resistance heating elements having improved room temperature ductility, electrical resistivity, cyclic fatigue resistance, high temperature oxidation resistance, low and high temperature strength, and/or resistance to high temperature sagging. The iron aluminide has an entirely ferritic microstructure which is free of austenite and can include, in weight %, 4 to 32% Al, and optional additions such as .ltoreq.1% Cr, .gtoreq.0.05% Zr .ltoreq.2% Ti, .ltoreq.2% Mo, .ltoreq.1% Ni, .ltoreq.0.75% C, .ltoreq.0.1% B, .ltoreq.1% submicron oxide particles and/or electrically insulating or electrically conductive covalent ceramic particles, .ltoreq.1% rare earth metal, and/or .ltoreq.3% Cu. The process includes forming a non-densified metal sheet by consolidating a powder having an intermetallic alloy composition such as by roll compaction, tape casting or plasma spraying, forming a cold rolled sheet by cold rolling the non-densified metal sheet so as to increase the density and reduce the thickness thereof and annealing the cold rolled sheet. The powder can be a water, polymer or gas atomized powder which is subjecting to sieving and/or blending with a binder prior to the consolidation step. After the consolidation step, the sheet can be partially sintered. The cold rolling and/or annealing steps can be repeated to achieve the desired sheet thickness and properties. The annealing can be carried out in a vacuum furnace with a vacuum or inert atmosphere. During final annealing, the cold rolled sheet recrystallizes to an average grain size of about 10 to 30 .mu.m. Final stress relief annealing can be carried out in the B2 phase temperature range.

  9. Thermomechanical Behavior of High Performance Epoxy/Organoclay Nanocomposites

    Directory of Open Access Journals (Sweden)

    Artur Soares Cavalcanti Leal

    2014-01-01

    Full Text Available Nanocomposites of epoxy resin containing bentonite clay were fabricated to evaluate the thermomechanical behavior during heating. The epoxy resin system studied was prepared using bifunctional diglycidyl ether of bisphenol A (DGEBA, crosslinking agent diaminodiphenylsulfone (DDS, and diethylenetriamine (DETA. The purified bentonite organoclay (APOC was used in all experiments. The formation of nanocomposite was confirmed by X-ray diffraction analysis. Specimens of the fabricated nanocomposites were characterized by dynamic mechanical analysis (DMA. According to the DMA results a significant increase in glass transition temperature and storage modulus was evidenced when 1 phr of clay is added to epoxy resin.

  10. Thermomechanical Analysis (TMA) and its application to polymer systems

    Energy Technology Data Exchange (ETDEWEB)

    Adams, Jillian Cathleen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-25

    Thermomechanical analysis (TMA) instruments are used to measure dimensional changes as a sample is heated or cooled. Data obtained from these instruments can be used to calculate the glass transition (Tg) and the coefficient of thermal expansion (CTE). Commonly, materials expand when heated and contract when cooled; however, the rate of such changes depends largely on the type of material. In manufacturing, it is important to use components with similar CTE values to avoid product failure, leaks, or a build-up of thermal stress. Therefore, TMA is a straightforward, useful tool in research and industry.

  11. Preliminary AD-Horn Thermomechanical and Electrodynamic Simulations

    CERN Document Server

    AUTHOR|(CDS)2095747; Horvath, David; Calviani, Marco

    2016-01-01

    As part of the Antiproton Decelerator (AD) target area consolidation activities planned for LS2, it has been necessary to perform a comprehensive study of the thermo-structural behaviour of the AD magnetic horn during operation, in order to detail specific requirements for the upgrade projects and testing procedures. The present work illustrates the preliminary results of the finite element analysis carried out to evaluate the thermal and structural behaviour of the device, as well as the methodology used to model and solve the thermomechanical and electrodynamic simulations performed in the AD magnetic horn.

  12. Parametric optimization of the MVC desalination plant with thermomechanical compressor

    Science.gov (United States)

    Blagin, E. V.; Biryuk, V. V.; Anisimov, M. Y.; Shimanov, A. A.; Gorshkalev, A. A.

    2018-03-01

    This article deals with parametric optimization of the Mechanical Vapour Compression (MVC) desalination plant with thermomechanical compressor. In this plants thermocompressor is used instead of commonly used centrifugal compressor. Influence of two main parameters was studied. These parameters are: inlet pressure and number of stages. Analysis shows that it is possible to achieve better plant performance in comparison with traditional MVC plant. But is required reducing the number of stages and utilization of low or high initial pressure with power consumption maximum at approximately 20-30 kPa.

  13. "Switching on" the properties of single-molecule magnetism in triangular manganese(III) complexes.

    Science.gov (United States)

    Stamatatos, Theocharis C; Foguet-Albiol, Dolos; Lee, Sheng-Chiang; Stoumpos, Constantinos C; Raptopoulou, Catherine P; Terzis, Aris; Wernsdorfer, Wolfgang; Hill, Stephen O; Perlepes, Spyros P; Christou, George

    2007-08-01

    The reaction between oxide-centered, triangular [MnIII3O(O2CR)6(py)3](ClO4) (R = Me (1), Et (2), Ph (3)) compounds and methyl 2-pyridyl ketone oxime (mpkoH) affords a new family of Mn/carboxylato/oximato complexes, [MnIII3O(O2CR)3(mpko)3](ClO4) [R = Me (4), Et (5), and Ph (6)]. As in 1-3, the cations of 4-6 contain an [MnIII3(mu3-O)]7+ triangular core, but with each Mn2 edge now bridged by an eta1:eta1:mu-RCO2- and an eta1:eta1:eta1:mu-mpko- group. The tridentate binding mode of the latter causes a buckling of the formerly planar [MnIII3(mu3-O)]7+ core, resulting in a relative twisting of the three MnIII octahedra and the central O2- ion now lying approximately 0.3 A above the Mn3 plane. This structural distortion leads to ferromagnetic exchange interactions within the molecule and a resulting S = 6 ground state. Fits of dc magnetization data for 4-6 collected in the 1.8-10.0 K and 10-70 kG ranges confirmed S = 6 ground states, and gave the following D and g values: -0.34 cm(-1) and 1.92 for 4, -0.34 cm(-1) and 1.93 for 5, and -0.35 cm(-1) and 1.99 for 6, where D is the axial zero-field splitting (anisotropy) parameter. Complexes 4-6 all exhibit frequency-dependent out-of-phase (chi" M) ac susceptibility signals suggesting them possibly to be single-molecule magnets (SMMs). Relaxation rate vs T data for complex 4 down to 1.8 K obtained from the chi" M vs T studies were supplemented with rate vs T data measured to 0.04 K via magnetization vs time decay studies, and these were used to construct Arrhenius plots from which was obtained the effective barrier to relaxation (Ueff) of 10.9 K. Magnetization vs dc field sweeps on single-crystals of 4.3CH2Cl2 displayed hysteresis loops exhibiting steps due to quantum tunneling of magnetization (QTM). The loops were essentially temperature-independent below approximately 0.3 K, indicating only ground-state QTM between the lowest-lying Ms = +/-6 levels. Complexes 4-6 are thus confirmed as the first triangular SMMs. High

  14. Predictive-property-ranked variable reduction in partial least squares modelling with final complexity adapted models: comparison of properties for ranking.

    Science.gov (United States)

    Andries, Jan P M; Vander Heyden, Yvan; Buydens, Lutgarde M C

    2013-01-14

    The calibration performance of partial least squares regression for one response (PLS1) can be improved by eliminating uninformative variables. Many variable-reduction methods are based on so-called predictor-variable properties or predictive properties, which are functions of various PLS-model parameters, and which may change during the steps of the variable-reduction process. Recently, a new predictive-property-ranked variable reduction method with final complexity adapted models, denoted as PPRVR-FCAM or simply FCAM, was introduced. It is a backward variable elimination method applied on the predictive-property-ranked variables. The variable number is first reduced, with constant PLS1 model complexity A, until A variables remain, followed by a further decrease in PLS complexity, allowing the final selection of small numbers of variables. In this study for three data sets the utility and effectiveness of six individual and nine combined predictor-variable properties are investigated, when used in the FCAM method. The individual properties include the absolute value of the PLS1 regression coefficient (REG), the significance of the PLS1 regression coefficient (SIG), the norm of the loading weight (NLW) vector, the variable importance in the projection (VIP), the selectivity ratio (SR), and the squared correlation coefficient of a predictor variable with the response y (COR). The selective and predictive performances of the models resulting from the use of these properties are statistically compared using the one-tailed Wilcoxon signed rank test. The results indicate that the models, resulting from variable reduction with the FCAM method, using individual or combined properties, have similar or better predictive abilities than the full spectrum models. After mean-centring of the data, REG and SIG, provide low numbers of informative variables, with a meaning relevant to the response, and lower than the other individual properties, while the predictive abilities are

  15. Electrochemiluminescence properties of Tb(III) nicotinic acid complex and its analytical application

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Yu [College of Chemistry and Material Science, Anhui Normal University, No. 1 Beijing East Road, Wuhu 241000 (China); Zhang, Yuqin [The Department of Material Engineering, Wuhu Institute of Technology, No. 201 Wenjin Road, Wuhu 241003 (China); Shu, Guibo; Dong, Qin; Zou, Lili [College of Chemistry and Material Science, Anhui Normal University, No. 1 Beijing East Road, Wuhu 241000 (China); Zhu, Yinggui, E-mail: ygzhu08@mail.ahnu.edu.cn [College of Chemistry and Material Science, Anhui Normal University, No. 1 Beijing East Road, Wuhu 241000 (China)

    2015-03-15

    A water soluble lanthanide Tb(III) complex Tb{sub 2}(C{sub 6}NO{sub 2}H{sub 4}){sub 6}(H{sub 2}O){sub 4} has been synthesized as luminescent material, and it is characterized by X-ray crystallography, infrared spectra and elemental analysis, respectively. This material showed excellent characterize of electrochemiluminescence (ECL) in the presence of co-reactant potassium peroxodisulfate (K{sub 2}S{sub 2}O{sub 8}) at glassy carbon electrode. With the increase of the concentration for nicotinic acid (NA), the ECL intensity of the complex/K{sub 2}S{sub 2}O{sub 8} system in HAc–NaAc buffer solution will be decreased apparently. Novel approach for the detection of nicotinic acid (NA) was developed based on the quenching effect of NA. Furthermore, the possible mechanisms for the ECL behavior of Tb{sub 2}(C{sub 6}NO{sub 2}H{sub 4}){sub 6}(H{sub 2}O){sub 4}/K{sub 2}S{sub 2}O{sub 8} system are proposed. The effects of K{sub 2}S{sub 2}O{sub 8} concentration, pH of the buffer on the ECL intensity have also been discussed in detail. The experiment results showed that the limit of detection for NA was 6.0×10{sup −7} M (S/N=3) with a linear range of 2.0×10{sup −6}–2.0×10{sup −4} M. - Highlights: • A novel ECL material Tb{sub 2}(H{sub 2}O){sub 4}(C{sub 6}NO{sub 2}H{sub 4}){sub 6} was synthesized and characterized. • The ECL property of the terbium chelate has been studied detail, and possible mechanism was been proposed. • A new ECL method for the determination of nicotinic acid with a wide liner range and a low detection limit was proposed.

  16. Anomalies in the equilibrium and nonequilibrium properties of correlated ions in complex molecular environments

    Science.gov (United States)

    Mahakrishnan, Sathiya; Chakraborty, Subrata; Vijay, Amrendra

    2017-11-01

    Emergent statistical attributes, and therefore the equations of state, of an assembly of interacting charge carriers embedded within a complex molecular environment frequently exhibit a variety of anomalies, particularly in the high-density (equivalently, the concentration) regime, which are not well understood, because they do not fall under the low-concentration phenomenologies of Debye-Hückel-Onsager and Poisson-Nernst-Planck, including their variants. To go beyond, we here use physical concepts and mathematical tools from quantum scattering theory, transport theory with the Stosszahlansatz of Boltzmann, and classical electrodynamics (Lorentz gauge) and obtain analytical expressions both for the average and the frequency-wave vector-dependent longitudinal and transverse current densities, diffusion coefficient, and the charge density, and therefore the analytical expressions for (a) the chemical potential, activity coefficient, and the equivalent conductivity for strong electrolytes and (b) the current-voltage characteristics for ion-transport processes in complex molecular environments. Using a method analogous to the notion of Debye length and thence the electrical double layer, we here identify a pair of characteristic length scales (longitudinal and the transverse), which, being wave vector and frequency dependent, manifestly exhibit nontrivial fluctuations in space-time. As a unifying theme, we advance a quantity (inverse length dimension), gscat(a ), which embodies all dynamical interactions, through various quantum scattering lengths, relevant to molecular species a, and the analytical behavior which helps us to rationalize the properties of strong electrolytes, including anomalies, in all concentration regimes. As an example, the behavior of gscat(a ) in the high-concentration regime explains the anomalous increase of the Debye length with concentration, as seen in a recent experiment on electrolyte solutions. We also put forth an extension of the

  17. Preparation and tribological properties of inclusion complex of β-cyclodextrin/dialkyl pentasulfide as additive in PEG-600 aqueous solution

    International Nuclear Information System (INIS)

    Guan, Jiju; Xu, Xuefeng; Li, Gan; Peng, Wei

    2014-01-01

    The inclusion complex of β-cyclodextrin (β-CD) and dialkyl pentasulfide (DPS), in which DPS was incorporated into β-CD cavities, was prepared by a co-precipitation method. The tribological properties of the complex used as lubricant additive in PEG 600 aqueous solution were investigated by a four-ball tester. The complex exhibited better tribological properties than β-CD under different loads, and also showed better anti-friction performance than DPS in the latter half of the test duration. The tribological action mechanism of the complex on a steel surface was studied according to the X-ray photoelectron spectroscopy (XPS) analyses. The β-CD molecules of the complexes were decomposed into various molecular fragments and the DPS molecules were released under the friction condition. It revealed that thiolate and ferrous sulfide (FeS) films formed by DPS played a major role, and iron alkoxide and carbon deposition films formed by the friction fragments of β-CD mainly exhibited anti-friction property on FeS-to-FeS interface. The interactions among different films led to the formation of a mixed boundary lubrication film.

  18. Investigation of the structure and properties of heterocyclic compounds and their complexes

    International Nuclear Information System (INIS)

    Shejnker, V.N.; Troilina, V.S.; Merinova, E.G.; Garnovskij, A.D.; Osipov, O.A.

    1988-01-01

    Complexing of acetyl derivatives of azoles with iodine and bromine iodide is investigated using UV-spectroscopy and dipole moment methods. In bimolecular complexes σ-acceptor coordination occurs by heterocycle pyridine type nitrogen atom and is not accompanied by the ligand conformation change. The complex stability increases in agreement with azole basicity. For N-acetyltriazole ligand, conformation reversal occurs in its trimolecular complex with IBr

  19. Antioxidant, electrochemical, thermal, antimicrobial and alkane oxidation properties of tridentate Schiff base ligands and their metal complexes

    Science.gov (United States)

    Ceyhan, Gökhan; Çelik, Cumali; Uruş, Serhan; Demirtaş, İbrahim; Elmastaş, Mahfuz; Tümer, Mehmet

    2011-10-01

    In this study, two Schiff base ligands (HL 1 and HL 2) and their Cu(II), Co(II), Ni(II), Pd(II) and Ru(III) metal complexes were synthesized and characterized by the analytical and spectroscopic methods. Alkane oxidation activities of the metal complexes were studied on cyclohexane as substrate. The ligands and their metal complexes were evaluated for their antimicrobial activity against Corynebacterium xerosis, Bacillus brevis, Bacillus megaterium, Bacillus cereus, Mycobacterium smegmatis, Staphylococcus aureus, Micrococcus luteus and Enterococcus faecalis (as Gram-positive bacteria) and Pseudomonas aeruginosa, Klebsiella pneumoniae, Escherichia coli, Yersinia enterocolitica, Klebsiella fragilis, Saccharomyces cerevisiae, and Candida albicans (as Gram-negative bacteria). The antioxidant properties of the Schiff base ligands were evaluated in a series of in vitro tests: 1,1-diphenyl-2-picrylhydrazyl (DPPH rad ) free radical scavenging and reducing power activity of superoxide anion radical generated non-enzymatic systems. Electrochemical and thermal properties of the compounds were investigated.

  20. Effect of thermomechanical treatments on phase distribution and microstructure evolution of a Ti-48Al-2Mn-2Nb alloy

    International Nuclear Information System (INIS)

    Morris, M.A.; Leboeuf, M.

    1995-01-01

    Titanium aluminide alloys based on TiAl offer potential benefits as intermetallics for structural applications due to their low density and attractive properties at high temperature. However, their strength and ductility are very dependent on microstructural morphologies and much research is being devoted to obtaining optimal properties. The large grain sizes and solute segregations associated with conventional castings have forced much of the work to be focused on obtaining finer microstructures, both in terms of grain sizes as well as lamellar spacings. Thermomechanical treatments have been used to produce a large variety of structural morphologies ranging from fully lamellar to duplex and equiaxed and in which the proportion of each phase is also variable. By choosing the correct temperature and strain rate parameters, it may be possible to modify the microstructure by dynamic recrystallization, if during the mechanical process the lamellae of the α 2 phase can be broken down and be used to accelerate the kinetics of nucleation of the new γ grains. The present study has been carried out in order to examine this process and the authors have compared the different refined microstructures that can be obtained by a new thermomechanical process (ELIT pack-rolling) of a Ti-48Al-2Mn-2Nb alloy with respect to those obtained by heat treatments only