WorldWideScience

Sample records for strong intermetallic bonding

  1. Electron Density Determination, Bonding and Properties of Tetragonal Ferromagnetic Intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Wiezorek, Jorg [Univ. of Pittsburgh, PA (United States)

    2016-09-01

    The project developed quantitative convergent-beam electron diffraction (QCBED) methods by energy-filtered transmission electron microscopy (EFTEM) and used them in combination with density functional theory (DFT) calculations to study the electron density distribution in metallic and intermetallic phases with different cubic and non-cubic crystal structures that comprise elements with d-electron shells. The experimental methods developed here focus on the bonding charge distribution as one of the quantum mechanical characteristics central for understanding of intrinsic properties and validation of DFT calculations. Multiple structure and temperature factors have been measured simultaneously from nano-scale volumes of high-quality crystal with sufficient accuracy and precision for comparison with electron density distribution calculations by DFT. The often anisotropic temperature factors for the different atoms and atom sites in chemically ordered phases can differ significantly from those known for relevant pure element crystals due to bonding effects. Thus they have been measured from the same crystal volumes from which the structure factors have been determined. The ferromagnetic ordered intermetallic phases FePd and FePt are selected as model systems for 3d-4d and 3d-5d electron interactions, while the intermetallic phases NiAl and TiAl are used to probe 3d-3p electron interactions. Additionally, pure transition metal elements with d-electrons have been studied. FCC metals exhibit well defined delocalized bonding charge in tetrahedral sites, while less directional, more distributed bonding charge attains in BCC metals. Agreement between DFT calculated and QCBED results degrades as d-electron levels fill in the elements, and for intermetallics as d-d interactions become prominent over p-d interactions. Utilizing the LDA+U approach enabled inclusion of onsite Coulomb-repulsion effects in DFT calculations, which can afford improved agreements with QCBED results

  2. Lattice disorder in strongly correlated lanthanide and actinide intermetallics

    International Nuclear Information System (INIS)

    Booth, C.H.; Bauer, E.D.; Maple, M.B.; Lawrence, J.M.; Kwei, G.H.; Sarrao, J.L.

    2001-01-01

    Lanthanide and actinide intermetallic compounds display a wide range of correlated-electron behavior, including ferromagnetism, antiferromagnetism, nonmagnetic (Kondo) ground states, and so-called 'non-Fermi liquid' (NFL) behavior. The interaction between f electrons and the conduction band is a dominant factor in determining the ground state of a given system. However, lattice disorder can create a distribution of interactions, generating unusual physical properties. These properties may include NFL behavior in many materials. In addition, lattice disorder can cause deviations from standard Kondo behavior that is less severe than NFL behavior. A review of the lattice disorder mechanism within a tight-binding model is presented, along with measurements of the YbBCu 4 and UPd x Cu 5-x systems, demonstrating the applicability of the model. These measurements indicate that while the YbBCu 4 system appears to be well ordered, both site interchange and continuous bond-length disorder occur in the UPd x Cu 5-x series. Nevertheless, the measured bond-length disorder in UPdCu 4 does not appear to be enough to explain the NFL properties simply with the Kondo disorder model. (au)

  3. Lattice disorder in strongly correlated lanthanide and actinide intermetallics.

    Science.gov (United States)

    Booth, C H; Bauer, E D; Maple, M B; Lawrence, J M; Kwei, G H; Sarrao, J L

    2001-03-01

    Lanthanide and actinide intermetallic compounds display a wide range of correlated-electron behavior, including ferromagnetism, antiferromagnetism, nonmagnetic (Kondo) ground states, and so-called 'non-Fermi liquid' (NFL) behavior. The interaction between f electrons and the conduction band is a dominant factor in determining the ground state of a given system. However, lattice disorder can create a distribution of interactions, generating unusual physical properties. These properties may include NFL behavior in many materials. In addition, lattice disorder can cause deviations from standard Kondo behavior that is less severe than NFL behavior. A review of the lattice disorder mechanism within a tight-binding model is presented, along with measurements of the YbBCu4 and UPd(x)Cu(5-x) systems, demonstrating the applicability of the model. These measurements indicate that while the YbBCu4 system appears to be well ordered, both site interchange and continuous bond-length disorder occur in the UPd(x)Cu(5-x) series. Nevertheless, the measured bond-length disorder in UPdCu4 does not appear to be enough to explain the NFL properties simply with the Kondo disorder model.

  4. Characterization of intermetallic compounds in Cu-Al ball bonds: layer growth, mechanical properties and oxidation

    NARCIS (Netherlands)

    Kouters, M.H.M.; Gubbels, G.H.M.; O'Halloran, O.; Rongen, R.

    2011-01-01

    In high power automotive electronics copper wire bonding is regarded as most promising alternative for gold wire bonding in 1 st level interconnects and therefore subjected to severe functional requirements. In the Cu-Al ball bond interface the growth of intermetallic compounds may deteriorate the

  5. Icosahedron oligomerization and condensation in intermetallic compounds. Bonding and electronic requirements.

    Science.gov (United States)

    Tillard-Charbonnel, M; Manteghetti, A; Belin, C

    2000-04-17

    Icosahedron-based clustering has been found to be very common in intermetallics, particularly for group 13 and early p-block icosogen elements. Linking of the icosahedral building blocks depends on the valence electron concentrations. Vertex-, edge-, or face-sharing icosahedra occur as the structure compensates for electron deficiency. Some examples of icosahedron-based clusters have been selected for an analysis of the relationships between the structural features (icosahedron oligomerization, atomic defects, etc.) and the bonding and electronic requirements. The extended Hückel method has been used with either a molecular approach or an electronic band structure calculation to rationalize bonding in the intermetallic framework.

  6. The intermetallic bonding between a ring carrier and aluminum piston alloy

    Energy Technology Data Exchange (ETDEWEB)

    Manasijevie, S.; Dolie, N.; Djurdjevic, M.; Misic, N.; Davitkov, N.

    2015-07-01

    This paper presents the results of investigating the formation of intermetallic bond between a ring carrier and aluminum piston alloy. The ring carrier is made of austenitic cast iron (Ni-Resist) in order to increase the wear resistance of the first ring groove and applied in highly loaded diesel engines. Metallographic examination of the quality of al fin bond was done. A metallographic investigation using an optical microscope in combination with the SEM/EDS analysis of the quality of the intermetallic bonding layer was done. The test results show that can be made successfully as well as the formation of metal connection (alfin bond) between the ring carrier and aluminum piston alloy. (Author)

  7. Rare-earth transition-metal intermetallics: Structure-bonding-property relationships

    Energy Technology Data Exchange (ETDEWEB)

    Han, M. K. [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    The explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding property relationships. The work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe13-xSix system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn{sub 13}-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides Re2-xFe4Si14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi2: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb3Zn3.6Al7.4: Partially ordered structure of Tb3Zn3.6Al7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn39(CrxAl1-x)81

  8. Rare-Earth Transition-Metal Intermetallics: Structure-bonding-Property Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Han, Mi-Kyung [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    Our explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding-property relationships. Our work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe13-xSix system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn13-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides RE2-xFe4Si14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi2: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb3Zn3.6Al7.4: Partially ordered structure of Tb3.6Zn13-xAl7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn39(CrxAl1-x

  9. Behavior of palladium and its impact on intermetallic growth in palladium-coated Cu wire bonding

    International Nuclear Information System (INIS)

    Xu Hui; Qin, Ivy; Clauberg, Horst; Chylak, Bob; Acoff, Viola L.

    2013-01-01

    This paper describes the behavior of palladium in palladium-coated Cu (PdCu) wire bonding and its impact on bond reliability by utilizing transmission electron microscopy (TEM). A Pd layer approximately 80 nm thick, which is coated on the surface of Cu wire, dissolves into the Cu matrix during ball formation (under N 2 gas protection) when the wire tip is melted to form a ball. As a result of dissolving the very thin Pd layer into the ball, Pd is almost undetectable along the entire bond interface between the ball and the Al pad. The behavior of Pd during thermal aging in air, however, is different for central and peripheral interfaces. At the central interface, less than 5 at.% Pd is present after 168 h aging at 175 °C. At the periphery, however, Pd diffuses back and congregates, reaching a level of ∼12 at.% after 24 h, and a Pd-rich (Cu,Pd) 9 Al 4 layer (>40 at.% Pd) forms after 168 h. Pd acts substitutionally in Cu 9 Al 4 but cannot penetrate into the CuAl 2 or CuAl. By comparison of intermetallic thickness and interfacial morphology between PdCu and bare Cu wire bonds, it is concluded that the presence of Pd reduces intermetallic growth rate, and is associated with numerous nanovoids in PdCu bonds.

  10. The intermetallic bonding between a ring carrier and aluminum piston alloy

    Directory of Open Access Journals (Sweden)

    Manasijevic, Srećko

    2015-09-01

    Full Text Available This paper presents the results of investigating the formation of intermetallic bond between a ring carrier and aluminum piston alloy. The ring carrier is made of austenitic cast iron (Ni-Resist in order to increase the wear resistance of the first ring groove and applied in highly loaded diesel engines. Metallographic examination of the quality of alfin bond was done. A metallographic investigation using an optical microscope in combination with the SEM/EDS analysis of the quality of the intermetallic bonding layer was done. The test results show that can be made successfully as well as the formation of metal connection (alfin bond between the ring carrier and aluminum piston alloy.El artículo presenta los resultados de la investigación sobre la formación de una unión intermetálica entre el portasegmento y la aleación de aluminio del pistón. El portasegmento es una fundición de hierro austenítico (Ni-Resist con el fin de aumentar la resistencia al desgaste de la unión Al-fin del primer segmento y se utiliza en motores diésel altamente cargados. Se realizó un examen metalográfico de la unión intermetálica, mediante un microscopio óptico en combinación con SEM/EDS. Los satisfactorios resultados obtenidos muestran la formación de contacto metálico (unión Al-fin del primer segmento entre el portasegmento y la aleación de aluminio del pistón.

  11. Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-06

    The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustrate the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.

  12. Behavior of aluminum oxide, intermetallics and voids in Cu-Al wire bonds

    International Nuclear Information System (INIS)

    Xu, H.; Liu, C.; Silberschmidt, V.V.; Pramana, S.S.; White, T.J.; Chen, Z.; Acoff, V.L.

    2011-01-01

    Nanoscale interfacial evolution in Cu-Al wire bonds during isothermal annealing from 175 deg. C to 250 deg. C was investigated by high resolution transmission electron microscopy (HRTEM). The native aluminum oxide film (∼5 nm thick) of the Al pad migrates towards the Cu ball during annealing. The formation of intermetallic compounds (IMC) is controlled by Cu diffusion, where the kinetics obey a parabolic growth law until complete consumption of the Al pad. The activation energies to initiate crystallization of CuAl 2 and Cu 9 Al 4 are 60.66 kJ mol -1 and 75.61 kJ mol -1 , respectively. During IMC development, Cu 9 Al 4 emerges as a second layer and grows together with the initial CuAl 2 . When Al is completely consumed, CuAl 2 transforms to Cu 9 Al 4 , which is the terminal product. Unlike the excessive void growth in Au-Al bonds, only a few voids nucleate in Cu-Al bonds after long-term annealing at high temperatures (e.g., 250 o C for 25 h), and their diameters are usually in the range of tens of nanometers. This is due to the lower oxidation rate and volumetric shrinkage of Cu-Al IMC compared with Au-Al IMC.

  13. Effects of Bonding Wires and Epoxy Molding Compound on Gold and Copper Ball Bonds Intermetallic Growth Kinetics in Electronic Packaging

    Science.gov (United States)

    Gan, C. L.; Classe, F. C.; Chan, B. L.; Hashim, U.

    2014-04-01

    This paper discusses the influence of bonding wires and epoxy mold compounds (EMC) on intermetallic compound (IMC) diffusion kinetics and apparent activation energies ( E aa) of CuAl and AuAl IMCs in a fineline ball grid array package. The objective of this study is to study the CuAl and AuAl IMC growth rates with different epoxy mold compounds and to determine the apparent activation energies of different combination of package bills of materials. IMC thickness measurement has been carried out to estimate the coefficient of diffusion ( D o) and E aa various aging conditions of different EMCs and bonding wires. Apparent activation energies ( E aa) of both wire types were investigated after high temperature storage life tests (HTSL) for both molding compounds. Au bonds were identified to have faster IMC formation, compared to slower IMC growth of Cu. The E aa obtained for CuAl IMC diffusion kinetics are 1.08 and 1.04 eV with EMC A and EMC B, respectively. For AuAl IMC diffusion kinetics, the E aa obtained are 1.04 and 0.98 eV, respectively, on EMC A and EMC B. These values are close to previous HTSL studies conducted on Au and Cu ball bonds and are in agreement to the theory of HTSL performance of Au and Cu bonding wires.Overall, EMC B shows slightly lower apparent activation energy ( E aa) valueas in CuAl and AuAl IMCs. This proves that the different types of epoxy mold compounds have some influence on IMC growth rates.

  14. DFT modeling of the electronic and magnetic structures and chemical bonding properties of intermetallic hydrides

    International Nuclear Information System (INIS)

    Al Alam, A.F.

    2009-06-01

    This thesis presents an ab initio study of several classes of intermetallics and their hydrides. These compounds are interesting from both a fundamental and an applied points of view. To achieve this aim two complementary methods, constructed within the DFT, were chosen: (i) pseudo potential based VASP for geometry optimization, structural investigations and electron localization mapping (ELF), and (ii) all-electrons ASW method for a detailed description of the electronic structure, chemical bonding properties following different schemes as well as quantities depending on core electrons such as the hyperfine field. A special interest is given with respect to the interplay between magneto-volume and chemical interactions (metal-H) effects within the following hydrided systems: binary Laves (e.g. ScFe 2 ) and Haucke (e.g. LaNi 5 ) phases on one hand, and ternary cerium based (e.g. CeRhSn) and uranium based (e.g. U 2 Ni 2 Sn) alloys on the other hand. (author)

  15. Crystal structure and chemical bonding of the intermetallic Zintl phase Yb11AlSb9.

    Science.gov (United States)

    Kastbjerg, Sofie; Uvarov, Catherine A; Kauzlarich, Susan M; Chen, Yu-Sheng; Nishibori, Eiji; Spackman, Mark A; Iversen, Bo Brummerstedt

    2012-09-14

    High resolution single crystal synchrotron X-ray diffraction data measured at 15(2) K were used to solve the structure of the complex intermetallic Zintl phase, Yb(11)AlSb(9) (space group Iba2), made up of Yb cations and polyanions along with isolated Sb anions. The 15(2) K cell parameters are a = 11.7383(4) Å, b = 12.3600(4) Å, c = 16.6796(6) Å. The temperature dependence of the structure was investigated through high resolution synchrotron powder X-ray diffraction (PXRD) data measured from 90 K to 1000 K. Rietveld refinements of the crystal structure revealed near linear thermal expansion of Yb(11)AlSb(9) with expansion coefficients of 1.49(2) × 10(-5) K(-1), 1.71(3) × 10(-5) K(-1), 1.13(1) × 10(-5) K(-1) for a, b and c, respectively. The chemical bonding in Yb(11)AlSb(9) was analyzed using atomic Hirshfeld surfaces, and the analysis supports the presence of the structural elements of Yb cations, [AlSb(4)](9-) tetrahedra, [Sb(2)](4-) dimers and isolated Sb(3-) anions. However, indications of interatomic interactions between the Zintl anions and the Yb cations were also observed.

  16. Influence of 5f electrons on structure and bonding in the actinide-hydrogen intermetallics

    International Nuclear Information System (INIS)

    Ward, J.W.

    1984-01-01

    Complexa phases form for the Th + H and U + H systems that are found with no other metals. In the Pa + H system, simple bcc C15 Laves and A15 phases can form, dependent on temperature and composition. The phase transformations appear to b magnetically driven, as a resutl of the decoupling of the metallic 5f electron bonding that occurs during hydriding; the C15 phases contain two kinds of Pa atoms-the one sublattice being still fully f-bonded and the other magnetic. This is a unique situation in solid state physics which defies a valence description. A similar situation obtains for A15 β - UH 3 structure. The parent metals themselves exhibit electronegativities not unlike those of the mid-3d transition metals (e.g., Fe) because the valence electrons re tied up in metallic bonding. However, under the driving force for hydriding, the lattices can open up, decoupling the f-bonding and inducing magnetism. The systems then aggressively form very stable hydrides typical of highly-electropositive metals. Beyond uranium the trivalent metallic state is favored and rare-earth-like hydrides are found for Np + H and Pu + H. Nevertheless, the solid-state and transport properties are markedly different than for the rare-earth hydrides, showing that the latent influence of the 5f electrons is still strong

  17. The Intermetallic Compound Formation for the Wire Bond Between an Al Pad and Ag-xPd Alloy Wire

    Science.gov (United States)

    Huang, Wei-Hsiang; Lin, Kwang-Lung; Lin, Yu-Wei; Cheng, Yun-Kai

    2016-12-01

    Silver-palladium alloy wire has been shown as an economical and reliable substitute for gold wire in various applications in the electronic packaging industry. The success of wire bonding relies on the formation of an interfacial intermetallic compound (IMC). This study is aimed to investigate the formation behavior of IMCs between an Al pad and Ag-Pd alloy wire with various Pd concentrations of 1.0-6.0% for the as-bonded commercial Ag/Al joint. The interfacial IMCs were investigated with scanning electron microscopy and energy-dispersive x-ray spectroscopy. The IMCs formed are separate (Ag, Pd)2Al and (Ag, Pd)3Al2 for a Ag6Pd wire bond, while (Ag, Pd)2Al and (Ag, Pd)3Al2 are mixed for the other Ag(1-4.5)Pd alloy wire bonds. The thickness of the total IMC layer varies from 0.65 μm for Ag1Pd to 0.91 μm for Ag6Pd, yet a minimum of 0.44 μm exists for Ag3.5Pd. The compound formation behavior was found to correspond with the Ag-Al phase diagram. After pressure cooker tests, a less stable IMC (Ag, Pd)3Al formed at the AgxPd/Al interface.

  18. Strong and weak hydrogen bonds in drug–DNA complexes

    Indian Academy of Sciences (India)

    The dataset was extracted from the protein data bank (PDB). The analysis was performed with an in-house software, hydrogen bond analysis tool (HBAT). In addition to strong hydrogen bonds such as O−H···O and N−H···O, the ubiquitous presence of weak hydrogen bonds such as C−H···O is implicated in molecular ...

  19. NMR and IR investigations of strong intramolecular hydrogen bonds

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Spanget-Larsen, Jens

    2017-01-01

    For the purpose of this review, strong hydrogen bonds have been defined on the basis of experimental data, such as OH stretching wavenumbers, vOH, and OH chemical shifts, dOH (in the latter case after correction for ring current effects). Limits for O–H···Y systems are taken as 2800 > vOH > 1800 ...

  20. Crystal structure and chemical bonding of the intermetallic Zintl phase Yb[subscript 11]AlSb[subscript 9

    Energy Technology Data Exchange (ETDEWEB)

    Kastbjerg, Sofie; Uvarov, Catherine A.; Kauzlarich, Susan M.; Chen, Yu-Sheng; Nishibori, Eiji; Spackman, Mark A.; Iversen, Bo Brummerstedt (Aarhus); (UWA); (UCD); (UC); (Nagoya)

    2012-10-09

    High resolution single crystal synchrotron X-ray diffraction data measured at 15(2) K were used to solve the structure of the complex intermetallic Zintl phase, Yb{sub 11}AlSb{sub 9} (space group Iba2), made up of Yb cations and polyanions along with isolated Sb anions. The 15(2) K cell parameters are a = 11.7383(4) {angstrom}, b = 12.3600(4) {angstrom}, c = 16.6796(6) {angstrom}. The temperature dependence of the structure was investigated through high resolution synchrotron powder X-ray diffraction (PXRD) data measured from 90 K to 1000 K. Rietveld refinements of the crystal structure revealed near linear thermal expansion of Yb{sub 11}AlSb{sub 9} with expansion coefficients of 1.49(2) x 10{sup -5} K{sup -1}, 1.71(3) x 10{sup -5} K{sup -1}, 1.13(1) x 10{sup -5} K{sup -1} for a, b and c, respectively. The chemical bonding in Yb{sub 11}AlSb{sub 9} was analyzed using atomic Hirshfeld surfaces, and the analysis supports the presence of the structural elements of Yb cations, [AlSb{sub 4}]{sup 9-} tetrahedra, [Sb{sub 2}]{sup 4-} dimers and isolated Sb{sup 3-} anions. However, indications of interatomic interactions between the Zintl anions and the Yb cations were also observed.

  1. Electronic structure and chemical bonding in LaIrSi-type intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Matar, Samir F. [Bordeaux Univ., Pessac (France). CNRS; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Nakhl, Michel [Univ. Libanaise, Fanar (Lebanon). Ecole Doctorale Sciences et Technologies

    2017-05-01

    The cubic LaIrSi type has 23 representatives in aluminides, gallides, silicides, germanides, phosphides, and arsenides, all with a valence electron count of 16 or 17. The striking structural motif is a three-dimensional network of the transition metal (T) and p element (X) atoms with TX{sub 3/3} respectively XT{sub 3/3} coordination. Alkaline earth or rare earth atoms fill cavities within the polyanionic [TX]{sup δ-} networks. The present work presents a detailed theoretical study of chemical bonding in LaIrSi-type representatives, exemplarily for CaPtSi, BaIrP, BaAuGa, LaIrSi, CeRhSi, and CeIrSi. DFT-GGA-based electronic structure calculations show weakly metallic compounds with itinerant small magnitude DOSs at E{sub F} except for CeRhSi whose large Ce DOS at E{sub F} leads to a finite magnetization on Ce (0.73 μ{sub B}) and induced small moments of opposite sign on Rh and Si in a ferromagnetic ground state. The chemical bonding analyses show dominant bonding within the [TX]{sup δ-} polyanionic networks. Charge transfer magnitudes were found in accordance with the course of the electronegativites of the chemical constituents.

  2. Female chacma baboons form strong, equitable, and enduring social bonds.

    Science.gov (United States)

    Silk, Joan B; Beehner, Jacinta C; Bergman, Thore J; Crockford, Catherine; Engh, Anne L; Moscovice, Liza R; Wittig, Roman M; Seyfarth, Robert M; Cheney, Dorothy L

    2010-11-01

    Analyses of the pattern of associations, social interactions, coalitions, and aggression among chacma baboons (Papio hamadryas ursinus) in the Okavango Delta of Botswana over a 16-year period indicate that adult females form close, equitable, supportive, and enduring social relationships. They show strong and stable preferences for close kin, particularly their own mothers and daughters. Females also form strong attachments to unrelated females who are close to their own age and who are likely to be paternal half-sisters. Although absolute rates of aggression among kin are as high as rates of aggression among nonkin, females are more tolerant of close relatives than they are of others with whom they have comparable amounts of contact. These findings complement previous work which indicates that the strength of social bonds enhances the fitness of females in this population and support findings about the structure and function of social bonds in other primate groups.

  3. Bonding of WC with an iron aluminide (FeAl) intermetallic

    Energy Technology Data Exchange (ETDEWEB)

    Schneibel, J.H.; Subramanian, R.

    1996-08-01

    FeAl, which has high oxidation and sulfidation resistance, was shown to be thermodynamically compatible with WC. Calculations indicate that soly. of WC in liq. Fe-40at.%Al at 1450 C is about 2 at.%. Since liquid FeAl wets WC very well, the WC/FeAl system lends itself to liquid-phase sintering, resulting in close to theoretical densities. Almost fully dense cermets with 20.6 wt% FeAl binder were produced. With one-step infiltration, 98% dense cermets with only 7 wt% FeAl binder were fabricated. RT bend strengths and fracture toughness for WC-20.6 wt% FeAl reached 1680 MPa and 22 MPa{center_dot}m{sup 1/2}. Ductile binder fracture was observed on the fracture surfaces. Pores containing oxide inclusions were found, suggesting that improvements in processing are likely to further improve the mechanical properties. Insufficient process control may explain why WC/FeAlNi cermets did not show improved mechanical properties, although Ni strengthens FeAl. For WC bonded with FeAl, mechanical properties were measured at RT and 800 C. Bend strengths at 800 C in air increased with WC volume fraction, and fracture toughness were higher than at RT.

  4. Hirshfeld atom refinement for modelling strong hydrogen bonds.

    Science.gov (United States)

    Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A; Edwards, Alison J; Dominiak, Paulina M; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon

    2014-09-01

    High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z' > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydrogen maleate exhibits several hydrogen bonds in its crystal structure, of which the shortest and the most challenging to model is the O-H...O intramolecular hydrogen bond present in the hydrogen maleate anion (O...O distance is about 2.41 Å). In particular, the reconstruction of the electron density in the hydrogen maleate moiety and the determination of hydrogen-atom properties [positions, bond distances and anisotropic displacement parameters (ADPs)] are the focus of the study. For comparison to the HAR results, different spherical (independent atom model, IAM) and aspherical (free multipole model, MM; transferable aspherical atom model, TAAM) X-ray refinement techniques as well as results from a low-temperature neutron-diffraction experiment are employed. Hydrogen-atom ADPs are furthermore compared to those derived from a TLS/rigid-body (SHADE) treatment of the X-ray structures. The reference neutron-diffraction experiment reveals a truly symmetric hydrogen bond in the hydrogen maleate anion. Only with HAR is it possible to freely refine hydrogen-atom positions and ADPs from the X-ray data, which leads to the best electron-density model and the closest agreement with the structural parameters derived from the neutron-diffraction experiment, e.g. the symmetric hydrogen position can be reproduced. The multipole-based refinement techniques (MM and TAAM) yield slightly asymmetric positions, whereas the IAM yields a significantly asymmetric position.

  5. NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds

    Directory of Open Access Journals (Sweden)

    Poul Erik Hansen

    2017-03-01

    Full Text Available For the purpose of this review, strong hydrogen bonds have been defined on the basis of experimental data, such as OH stretching wavenumbers, νOH, and OH chemical shifts, δOH (in the latter case, after correction for ring current effects. Limits for O–H···Y systems are taken as 2800 > νOH > 1800 cm−1, and 19 ppm > δOH > 15 ppm. Recent results as well as an account of theoretical advances are presented for a series of important classes of compounds such as β-diketone enols, β-thioxoketone enols, Mannich bases, proton sponges, quinoline N-oxides and diacid anions. The O···O distance has long been used as a parameter for hydrogen bond strength in O–H···O systems. On a broad scale, a correlation between OH stretching wavenumbers and O···O distances is observed, as demonstrated experimentally as well as theoretically, but for substituted β-diketone enols this correlation is relatively weak.

  6. Perceiving molecular themes in the structures and bonding of intermetallic phases: the role of Hückel theory in an ab initio era.

    Science.gov (United States)

    Stacey, Timothy E; Fredrickson, Daniel C

    2012-07-14

    Qualitative molecular orbital theory is central to our understanding of the bonding and reactivity of molecules and materials across chemistry. Advances in computational technology and methodology, however, have made ab initio or density functional theory calculations a simpler alternative, offering reliable results on increasingly large systems in a reasonable time-scale without the need for concerns about the approximations and parameterization of semi-empirical one-electron based methods. In this perspective, we illustrate how the availability of higher-level computational results can augment, rather than supplant, the insights provided by approaches such as the simple and extended Hückel methods. We begin by describing a way to parameterize Hückel-type Hamiltonians against DFT results for intermetallic systems. The potential for chemical understanding embodied by such orbital-based models is then demonstrated with two schemes of bonding analysis that originated in them (but can be extended to DFT results): the μ(3)-acid/base model and the μ(2)-Hückel chemical pressure analysis, which translate the molecular concepts of acidity and electronic/steric competition, respectively, into the context of intermetallic chemistry.

  7. Short, strong hydrogen bonds on enzymes: NMR and mechanistic studies

    Science.gov (United States)

    Mildvan, A. S.; Massiah, M. A.; Harris, T. K.; Marks, G. T.; Harrison, D. H. T.; Viragh, C.; Reddy, P. M.; Kovach, I. M.

    2002-09-01

    The lengths of short, strong hydrogen bonds (SSHBs) on enzymes have been determined with high precision (±0.05 Å) from the chemical shifts ( δ), and independently from the D/ H fractionation factors ( φ) of the highly deshielded protons involved. These H-bond lengths agree well with each other and with those found by protein X-ray crystallography, within the larger errors of the latter method (±0.2 to±0.8 Å) [Proteins 35 (1999) 275]. A model dihydroxynaphthalene compound shows a SSHB of 2.54±0.04 Å based on δ=17.7 ppm and φ=0.56±0.04, in agreement with the high resolution X-ray distance of 2.55±0.06 Å. On ketosteroid isomerase, a SSHB is found (2.50±0.02 Å), based on δ=18.2 ppm and φ=0.34, from Tyr-14 to the 3-O - of estradiol, an analog of the enolate intermediate. Its strength is ˜7 kcal/mol. On triosephosphate isomerase, SSHBs are found from Glu-165 to the 1-NOH of phosphoglycolohydroxamic acid (PGH), an analog of the enolic intermediate (2.55±0.05 Å), and from His-95 to the enolic-O - of PGH (2.62±0.02 Å). In the methylglyoxal synthase-PGH complex, a SSHB (2.51±0.02 Å) forms between Asp-71 and the NOH of PGH with a strength of ≥4.7 kcal/mol. When serine proteases bind mechanism-based inhibitors which form tetrahedral Ser-adducts analogous to the tetrahedral intermediates in catalysis, the Asp⋯His H-bond of the catalytic triad becomes a SSHB [Proc. Natl Acad. Sci. USA 95 (1998) 14664], 2.49-2.63 Å in length. Similarly, on the serine-esterase, butyrylcholinesterase complexed with the mechanism-based inhibitor m-( N, N, N-trimethylammonio)-2,2,2-trifluoroacetophenone, a SSHB forms between Glu-327 and His-438 of the catalytic triad, 2.61±0.04 Å in length, based on δ=18.1 ppm and φ=0.65±0.10. Very similar results are obtained with (human) acetylcholinesterase. The strength of this SSHB is at least 4.9 kcal/mol.

  8. Intermetallic nanoparticles

    Science.gov (United States)

    Singh, Dileep; Yusufoglu, Yusuf; Timofeeva, Elena; Routbort, Jules

    2015-07-14

    A process for preparing intermetallic nanoparticles of two or more metals is provided. In particular, the process includes the steps: a) dispersing nanoparticles of a first metal in a solvent to prepare a first metal solution, b) forming a reaction mixture with the first metal solution and a reducing agent, c) heating the reaction mixture to a reaction temperature; and d) adding a second metal solution containing a salt of a second metal to the reaction mixture. During this process, intermetallic nanoparticles, which contain a compound with the first and second metals are formed. The intermetallic nanoparticles with uniform size and a narrow size distribution is also provided. An electrochemical device such as a battery with the intermetallic nanoparticles is also provided.

  9. Strong and weak hydrogen bonds in drug–DNA complexes: A ...

    Indian Academy of Sciences (India)

    PRAKASH KUMAR

    The metrics for strong hydrogen bonds are consistent with established trends. The geometries are variable for weak hydrogen bonds. .... 'moderate'. Jeffrey's terminology is in keeping with the biological literature where bonds such ... to minimization keeping the heavy atoms rigid. This was carried out in MOE with the MMFFx ...

  10. Strong and weak hydrogen bonds in drug–DNA complexes: A ...

    Indian Academy of Sciences (India)

    PRAKASH KUMAR

    The analysis was performed with an in-house software, hydrogen bond analysis tool (HBAT). In addition to strong hydrogen bonds such as O−H···O and N−H···O, the ubiquitous presence of weak hydrogen bonds such as C−H···O is implicated in molecular recognition. On an average, there are 1.4 weak hydrogen bonds.

  11. Phonon driven proton transfer in crystals with short strong hydrogen bonds

    NARCIS (Netherlands)

    Fontaine-Vive, F.; Johnson, M.R.; Kearley, G.J.; Cowan, J.A.; Howard, J.A.K.; Parker, S.F.

    2006-01-01

    Recent work on understanding why protons migrate with increasing temperature in short, strong hydrogen bonds is extended here to three more organic, crystalline systems. Inelastic neutron scattering and density functional theory based simulations are used to investigate structure, vibrations, and

  12. Intermetallic Reactions during the Solid-Liquid Interdiffusion Bonding of Bi2Te2.55Se0.45 Thermoelectric Material with Cu Electrodes Using a Sn Interlayer

    Directory of Open Access Journals (Sweden)

    Chien-Hsun Chuang

    2016-04-01

    Full Text Available The intermetallic compounds formed during the diffusion soldering of a Bi2Te2.55Se0.45 thermoelectric material with a Cu electrode are investigated. For this bonding process, Bi2Te2.55Se0.45 was pre-coated with a 1 μm Sn thin film on the thermoelectric element and pre-heated at 250 °C for 3 min before being electroplated with a Ni barrier layer and a Ag reaction layer. The pre-treated thermoelectric element was bonded with a Ag-coated Cu electrode using a 4 μm Sn interlayer at temperatures between 250 and 325 °C. The results indicated that a multi-layer of Bi–Te–Se/Sn–Te–Se–Bi/Ni3Sn4 phases formed at the Bi2Te2.55Se0.45/Ni interface, ensuring sound cohesion between the Bi2Te2.55Se0.45 thermoelectric material and Ni barrier. The molten Sn interlayer reacted rapidly with both Ag reaction layers to form an Ag3Sn intermetallic layer until it was completely exhausted and the Ag/Sn/Ag sandwich transformed into a Ag/Ag3Sn/Ag joint. Satisfactory shear strengths ranging from 19.3 and 21.8 MPa were achieved in Bi2Te2.55Se0.45/Cu joints bonded at 250 to 300 °C for 5 to 30 min, dropping to values of about 11 MPa for 60 min, bonding at 275 and 300 °C. In addition, poor strengths of about 7 MPa resulted from bonding at a higher temperature of 325 °C for 5 to 60 min.

  13. NMR studies of strong hydrogen bonds in enzymes and in a model compound

    Science.gov (United States)

    Harris, T. K.; Zhao, Q.; Mildvan, A. S.

    2000-09-01

    Hydrogen bond lengths on enzymes have been derived with high precision (≤±0.05 Å) from both the proton chemical shifts (δ) and the fractionation factors (φ) of the proton involved and were compared with those obtained from protein X-ray crystallography. Hydrogen bond lengths derived from proton chemical shifts were obtained from a correlation of 59 O-H⋯O hydrogen bond lengths, measured by small molecule high resolution X-ray crystallography, with chemical shifts determined by solid-state NMR in the same crystals [A. McDermott, C.F. Ridenour, Encyclopedia of NMR, Wiley, Sussex, England, 1996, 3820pp]. Hydrogen bond lengths were independently obtained from fractionation factors which yield distances between the two proton wells in quartic double minimum potential functions [M.M. Kreevoy, T.M. Liang, J. Am. Chem. Soc. 102 (1980) 3315]. The high precision hydrogen bond lengths derived from their corresponding NMR-measured proton chemical shifts and fractionation factors agree well with each other and with those reported in protein X-ray structures within the larger errors (±0.2-0.8 Å) in lengths obtained by protein X-ray crystallography. The increased precision in measurements of hydrogen bond lengths by NMR has provided insight into the contributions of short, strong hydrogen bonds to catalysis for several enzymes including ketosteroid isomerase, triosephosphate isomerase, and serine proteases. The O-H⋯O hydrogen bond length derived from the proton chemical shift in a model dihydroxy-naphthalene compound in aqueous solution agreed well with lengths of such hydrogen bonds determined by high resolution, small molecule X-ray diffraction.

  14. Strong and weak hydrogen bonds in drug–DNA complexes: A ...

    Indian Academy of Sciences (India)

    ... in the list of 70 complexes mentioned above, and 19 inhibitors for which the drug–DNA complex crystal structures are unknown. The virtual geometries so generated correlate well with published activities for these 26 inhibitors, justifying our assumption that strong and weak hydrogen bonds are optimized in the active site.

  15. Solder extrusion pressure bonding process and bonded products produced thereby

    Science.gov (United States)

    Beavis, Leonard C.; Karnowsky, Maurice M.; Yost, Frederick G.

    1992-01-01

    Production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about -40.degree. C. and 110.degree. C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  16. Strongly Phosphorescent Transition Metal π-Complexes of Boron-Boron Triple Bonds.

    Science.gov (United States)

    Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D; Hupp, Benjamin; Kramer, Thomas; Mattock, James D; Mies, Jan; Phukan, Ashwini K; Steffen, Andreas; Vargas, Alfredo

    2017-04-05

    Herein are reported the first π-complexes of compounds with boron-boron triple bonds with transition metals, in this case Cu I . Three different compounds were isolated that differ in the number of copper atoms bound to the BB unit. Metalation of the B-B triple bonds causes lengthening of the B-B and B-C NHC bonds, as well as large upfield shifts of the 11 B NMR signals, suggesting greater orbital interactions between the boron and transition metal atoms than those observed with recently published diboryne/alkali metal cation complexes. In contrast to previously reported fluorescent copper(I) π-complexes of boron-boron double bonds, the Cu n -π-diboryne compounds (n = 2, 3) show intense phosphorescence in the red to near-IR region from their triplet excited states, according to their microsecond lifetimes, with quantum yields of up to 58%. While the Cu diborene bond is dominated by electrostatic interactions, giving rise to S 1 and T 1 states of pure IL(π-π*) nature, DFT studies show that the Cu I π-complexes of diborynes reported herein exhibit enhanced metal d orbital contributions to HOMO and HOMO-1, which results in S 1 and T 1 having significant MLCT character, enabling strong spin-orbit coupling for highly efficient intersystem-crossing S 1 → T n and phosphorescence T 1 → S 0 .

  17. A dense and strong bonding collagen film for carbon/carbon composites

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Sheng; Li, Hejun, E-mail: lihejun@nwpu.edu.cn; Li, Kezhi; Lu, Jinhua; Zhang, Leilei

    2015-08-30

    Graphical abstract: - Highlights: • Significantly enhancement of biocompatibility on C/C composites by preparing a collagen film. • The dense and continuous collagen film had a strong bonding strength with C/C composites after dehydrathermal treatment (DHT) crosslink. • Numerous oxygen-containing functional groups formed on the surface of C/C composites without matrix damage. - Abstract: A strong bonding collagen film was successfully prepared on carbon/carbon (C/C) composites. The surface conditions of the modified C/C composites were detected by contact angle measurements, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS) and Raman spectra. The roughness, optical morphology, bonding strength and biocompatibility of collagen films at different pH values were detected by confocal laser scanning microscope (CLSM), universal test machine and cytology tests in vitro. After a 4-h modification in 30% H{sub 2}O{sub 2} solution at 100 °C, the contact angle on the surface of C/C composites was decreased from 92.3° to 65.3°. Large quantities of hydroxyl, carboxyl and carbonyl functional groups were formed on the surface of the modified C/C composites. Then a dense and continuous collagen film was prepared on the modified C/C substrate. Bonding strength between collagen film and C/C substrate was reached to 8 MPa level when the pH value of this collagen film was 2.5 after the preparing process. With 2-day dehydrathermal treatment (DHT) crosslinking at 105 °C, the bonding strength was increased to 12 MPa level. At last, the results of in vitro cytological test showed that this collagen film made a great improvement on the biocompatibility on C/C composites.

  18. Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.

    Science.gov (United States)

    Wang, Hui; Liu, Ju; Wang, Weizhou

    2018-02-14

    Single-crystal X-ray diffraction reveals that polymorphic ortho-nitrophenyl selenocyanate (o-NSC, crystals 1a and 1b) and monomorphic para-nitrophenyl selenocyanate (p-NSC, crystal 2) crystals are all stabilized mainly by intermolecular and very strong intramolecular C-SeO/N chalcogen bonds, as well as by other different interactions. Thermogravimetric (TG) and differential scanning calorimetry thermogram (DSC) analyses show that the starting decomposition temperatures and melting points of the three crystals are different, following the order 1b > 1a > 2, which is consistent with the structural characteristics of the crystals. In addition, atoms in molecules (AIM) and natural bond orbital (NBO) analyses indicate that the total strengths of the C-SeO and C-SeN chalcogen bonds decrease in the order 1b > 1a > 2. This study could be significant for engineering functional crystals based on robust C-SeO and C-SeN chalcogen bonds, and for designing drugs containing selenium as well as understanding their interaction in biosystems.

  19. Nonuniform Internal Structure of Fibrin Fibers: Protein Density and Bond Density Strongly Decrease with Increasing Diameter

    Directory of Open Access Journals (Sweden)

    Wei Li

    2017-01-01

    Full Text Available The major structural component of a blood clot is a meshwork of fibrin fibers. It has long been thought that the internal structure of fibrin fibers is homogeneous; that is, the protein density and the bond density between protofibrils are uniform and do not depend on fiber diameter. We performed experiments to investigate the internal structure of fibrin fibers. We formed fibrin fibers with fluorescently labeled fibrinogen and determined the light intensity of a fiber, I, as a function of fiber diameter, D. The intensity and, thus, the total number of fibrin molecules in a cross-section scaled as D1.4. This means that the protein density (fibrin per cross-sectional area, ρp, is not homogeneous but instead strongly decreases with fiber diameter as D-0.6. Thinner fibers are denser than thicker fibers. We also determined Young’s modulus, Y, as a function of fiber diameter. Y decreased strongly with increasing D; Y scaled as D-1.5. This implies that the bond density, ρb, also scales as D-1.5. Thinner fibers are stiffer than thicker fibers. Our data suggest that fibrin fibers have a dense, well-connected core and a sparse, loosely connected periphery. In contrast, electrospun fibrinogen fibers, used as a control, have a homogeneous cross-section.

  20. Bond Lengths and Bond Strengths in Weak and Strong Chemisorption: N2, CO, and CO/H on Nickel Surfaces

    OpenAIRE

    Sayago, David I.; Hoeft, Jon T.; Polcik, Martin; Kittel, Martin; Toomes, Rachel L.; Robinson, J.; Woodruff, David Phillip; Pascal, Mathieu; Lamont, Christine L.A.; Nisbet, Gareth

    2003-01-01

    New chemical-state-specific scanned-energy mode photoelectron diffraction experiments and density functional theory calculations, applied to CO, CO/H, and N2 adsorption on Ni(100), show that chemisorption bond length changes associated with large changes in bond strength are small, but those associated with changes in bond order are much larger, and are similar to those found in molecular systems. Specifically, halving the bond strength of atop CO to Ni increases the Ni-C distance by 0.06 Å...

  1. Chemical effect on diffusion in intermetallic compounds

    Science.gov (United States)

    Chen, Yi-Ting

    With the trend of big data and the Internet of things, we live in a world full of personal electronic devices and small electronic devices. In order to make the devices more powerful, advanced electronic packaging such as wafer level packaging or 3D IC packaging play an important role. Furthermore, ?-bumps, which connect silicon dies together with dimension less than 10 ?m, are crucial parts in advanced packaging. Owing to the dimension of ?-bumps, they transform into intermetallic compound from tin based solder after the liquid state bonding process. Moreover, many new reliability issues will occur in electronic packaging when the bonding materials change; in this case, we no longer have tin based solder joint, instead, we have intermetallic compound ?-bumps. Most of the potential reliability issues in intermetallic compounds are caused by the chemical reactions driven by atomic diffusion in the material; thus, to know the diffusivities of atoms inside a material is significant and can help us to further analyze the reliability issues. However, we are lacking these kinds of data in intermetallic compound because there are some problems if used traditional Darken's analysis. Therefore, we considered Wagner diffusivity in our system to solve the problems and applied the concept of chemical effect on diffusion by taking the advantage that large amount of energy will release when compounds formed. Moreover, by inventing the holes markers made by Focus ion beam (FIB), we can conduct the diffusion experiment and obtain the tracer diffusivities of atoms inside the intermetallic compound. We applied the technique on Ni3Sn4 and Cu3Sn, which are two of the most common materials in electronic packaging, and the tracer diffusivities are measured under several different temperatures; moreover, microstructure of the intermetallic compounds are investigated to ensure the diffusion environment. Additionally, the detail diffusion mechanism was also discussed in aspect of diffusion

  2. Analysis of the radical hydrogen transfer pathway for cleaving strong bonds in coal

    Energy Technology Data Exchange (ETDEWEB)

    Autrey, S.T.; Camaioni, D.M.; Ferris, K.F.; Franz, J.A.

    1993-09-01

    Hydrogen transfer processes involving radical intermediates are of key importance in the liquefaction of coal. While the primary function of donor solvents is to transfer H{lg_bullet} to coal-derived radicals that form when weak bonds are cleaved thermolytically, growing evidence suggests that the donor solvent can play a role in promoting cleavage of strong {alpha}-bonds. McMillen and Malhotra have explained the results in terms of a single-step mechanism referred to as radical H-transfer (RHT). Mechanistic kinetic models have been used to suggest the importance of RHT pathways in anthracene- and pyrene-based solvent systems. However, we question the reliability of these approaches because little experimental data exists to support the 16.5 kcal/mol intrinsic barriers they assume for RHT reactions. Unambiguous evidence for RHT is very difficult to obtain experimentally because at the temperatures required to activate the RHT reaction, a suite of multistep reactions can occur, which yield the same products, i.e. H-elimination from hydroaryl radicals followed by ipso addition. For this reason, we have sought to gain insight to barrier heights for RHT from theory. This paper reports our use of Marcus theory in combination with ab initio and semiempirical molecular orbital methods to show how the intrinsic barriers for RHT reactions depend on structural and thermodynamic properties of the reacting partners. In addition, reactions thought to be mediated by RHT are reexamined using mechanistic kinetic modeling (MKM) to determine the extent to which these reactions can be explained by conventional pathways.

  3. Associations Between Participant Ratings of PREP for Strong Bonds and Marital Outcomes 1 Year Postintervention.

    Science.gov (United States)

    Allen, Elizabeth S; Post, Kristina M; Markman, Howard J; Rhoades, Galena K; Stanley, Scott M

    2017-07-01

    After completing a relationship education program, collecting participant evaluations of the program is common practice. These are generally used as an index of "consumer satisfaction" with the program, with implications for feasibility and quality. Rarely have these ratings been used as predictors of changes in marital quality, although such feedback may be the only data providers collect or have immediate access to when considering the success of their efforts. To better understand the utility of such ratings to predict outcomes, we evaluated links between participant ratings and changes in self-reported marital satisfaction and communication scores one year later for a sample of 191 Army couples who had participated in a relationship education program delivered by Army chaplains (PREP for Strong Bonds). Overall ratings of general satisfaction with the program and the leader did not predict changes in marital outcomes one year later, whereas higher ratings of how much was learned, program helpfulness, increased similarity in outlook regarding Army life, and helpfulness of communication skills training predicted greater change in communication skills one year later. Higher ratings of items reflecting intent to invest more time in the relationship, and increased confidence in constructive communication and working as a team with the spouse predicted greater increases in both marital satisfaction and communication skills one year later. The constructs of intention and confidence (akin to perceived behavioral control) suggest that the Theory of Planned Behavior may be particularly useful when considering which Army couples will show ongoing benefit after relationship education.

  4. Composites of Ti-Al Intermetallic Compounds With a Ductile Ti Matrix, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Many properties of intermetallic compounds (IMC's) would make them strong candidates for vehicle structures, tankage, secondary structures, and appendages for NASA...

  5. Structure and Chemical Bonding of the Li-Doped Polar Intermetallic RE2In1−xLixGe2 (RE = La, Nd, Sm, Gd; x = 0.13, 0.28, 0.43, 0.53 System

    Directory of Open Access Journals (Sweden)

    Junsu Lee

    2018-03-01

    Full Text Available Four polar intermetallic compounds belonging to the RE2In1−xLixGe2 (RE = La, Nd, Sm, Gd; x = 0.13(1, 0.28(1, 0.43(1, 0.53(1 system have been synthesized by the traditional solid-state reaction method, and their crystal structures have been characterized by single-crystal X-ray diffraction (SXRD analyses. The isotypic crystal structures of four title compounds adopt the Mo2FeB2-type structure having the tetragonal space group P4/mbm (Z = 2, Pearson code tP40 with three crystallographically independent atomic sites and can be simply described as a pile of the identical 2-dimensioanl (2D RE2In1-xLixGe2 slabs stacked along the c-axis direction. The substituting Li atom shows a particular site preference for replacing In at the Wyckoff 2a site rather than Ge at the Wyckoff 4g in this crystal structure. As the size of a used rare-earth metal decreases from La3+ to Gd3+ throughout the title system, the Ge-Ge and Ge-In/Li bond distances, both of which consist of the 2D anionic Ge2(In/Li layer, gradually decrease resulting in the reduction of a unit cell volume. A series of theoretical investigations has been performed using a hypothetical structure model Gd2In0.5Li0.5Ge2 by tight-binding linear muffin-tin orbital (TB-LMTO method. The resultant densities of states (DOS value at the Fermi level (EF suggests a metallic conductivity for this particular composition, and this calculation result is in a good agreement with the formal charge distribution assigning two extra valence electrons for a metal-metal bond in the conduction band. The thorough analyses of six crystal orbital Hamilton population (COHP curves representing various interatomic interactions and an electron localization function (ELF diagram indicating the locations of paired-electron densities are also provided in this article.

  6. Effect of inter-fibre bonding on the fracture of fibrous networks with strong interactions

    DEFF Research Database (Denmark)

    Goutianos, Stergios; Mao, Rui; Peijs, Ton

    2017-01-01

    Abstract The mechanical response of cellulose nanopaper composites is investigated using a three-dimensional (3D) finite element fibrous network model with focus on the effect of inter-fibre bonds. It is found that the Young’s modulus and strength, for fixed fibre properties, are mainly controlle...

  7. Dissimilar Impact Welding of 6111-T4, 5052-H32 Aluminum Alloys to 22MnB5, DP980 Steels and the Structure-Property Relationship of a Strongly Bonded Interface

    Science.gov (United States)

    Liu, Bert; Vivek, Anupam; Presley, Michael; Daehn, Glenn S.

    2018-03-01

    The ability to weld high-strength aluminum to high-strength steel is highly desired for vehicle lightweighting but difficult to attain by conventional means. In this work, vaporizing foil actuator welding was used to successfully weld four Al/Fe combinations consisting of high-strength alloys: AA5052-H32, AA6111-T4, DP980, and 22MnB5. Flyer velocities up to 727 m/s were reached using 10 kJ input energy. In lap-shear testing, samples primarily failed in base aluminum near the aluminum's native strength, showing that the welds were stronger than a base metal and that the base metal was not significantly weakened by the welding process. A particularly strong weld area was studied by transmission electron microscopy to shed light on the microstructural features of strong impact welds. It was found to be characterized by a continuously bonded, fully crystalline interface, extremely fine (nanoscale) grains, mesoscopic as well as microscopic wavy features, and lack of large continuous intermetallic compounds.

  8. Dissimilar Impact Welding of 6111-T4, 5052-H32 Aluminum Alloys to 22MnB5, DP980 Steels and the Structure-Property Relationship of a Strongly Bonded Interface

    Science.gov (United States)

    Liu, Bert; Vivek, Anupam; Presley, Michael; Daehn, Glenn S.

    2018-01-01

    The ability to weld high-strength aluminum to high-strength steel is highly desired for vehicle lightweighting but difficult to attain by conventional means. In this work, vaporizing foil actuator welding was used to successfully weld four Al/Fe combinations consisting of high-strength alloys: AA5052-H32, AA6111-T4, DP980, and 22MnB5. Flyer velocities up to 727 m/s were reached using 10 kJ input energy. In lap-shear testing, samples primarily failed in base aluminum near the aluminum's native strength, showing that the welds were stronger than a base metal and that the base metal was not significantly weakened by the welding process. A particularly strong weld area was studied by transmission electron microscopy to shed light on the microstructural features of strong impact welds. It was found to be characterized by a continuously bonded, fully crystalline interface, extremely fine (nanoscale) grains, mesoscopic as well as microscopic wavy features, and lack of large continuous intermetallic compounds.

  9. Magnetic properties of Gd intermetallics

    Science.gov (United States)

    Petit, L.; Szotek, Z.; Jackson, J.; Lüders, M.; Paudyal, D.; Mudryk, Y.; Pecharsky, V.; Gschneidner, K. A.; Staunton, J. B.

    2018-02-01

    Using first-principles calculations, based on disordered local moment theory, combined with the self-interaction corrected local spin density approximation, we study magnetic interactions in GdX intermetallics for X = Cu, Zn, Ga, Cd, and Mg. Our predicted magnetic orders and ordering temperatures both at zero and other pressures agree well with experiments including the large increase in the Curie temperature of GdCd under pressure that is shown by our own experimental measurements. From our results it emerges that the Ruderman-Kittel-Kasuya-Yosida interaction on its own can not explain the observed behaviour under pressure, and that the magnetic ordering mechanism is strongly influenced by the occupations of both Gd and anion d-bands.

  10. Olefin metathesis for effective polymer healing via dynamic exchange of strong carbon-carbon bonds

    Science.gov (United States)

    Guan, Zhibin; Lu, Yixuan

    2015-09-15

    A method of preparing a malleable and/or self-healing polymeric or composite material is provided. The method includes providing a polymeric or composite material comprising at least one alkene-containing polymer, combining the polymer with at least one homogeneous or heterogeneous transition metal olefin metathesis catalyst to form a polymeric or composite material, and performing an olefin metathesis reaction on the polymer so as to form reversible carbon-carbon double bonds in the polymer. Also provided is a method of healing a fractured surface of a polymeric material. The method includes bringing a fractured surface of a first polymeric material into contact with a second polymeric material, and performing an olefin metathesis reaction in the presence of a transition metal olefin metathesis catalyst such that the first polymeric material forms reversible carbon-carbon double bonds with the second polymeric material. Compositions comprising malleable and/or self-healing polymeric or composite material are also provided.

  11. Pressure-induced phenomena in U intermetallics

    Czech Academy of Sciences Publication Activity Database

    Sechovský, V.; Honda, F.; Prokeš, K.; Syshchenko, O.; Andreev, Alexander V.; Kamarád, Jiří

    2003-01-01

    Roč. 34, č. 2 (2003), s. 1377-1386 ISSN 0587-4254. [International Conference on Strongly Correlated Electron Systems (SCES 02). Cracow, 10.07.2002-13.07.2002] R&D Projects: GA ČR GA202/02/0739 Institutional research plan: CEZ:AV0Z1010914; CEZ:MSM 113200002 Keywords : pressure effect * intermetallics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.752, year: 2003

  12. BaGe(5): a new type of intermetallic clathrate.

    Science.gov (United States)

    Aydemir, Umut; Akselrud, Lev; Carrillo-Cabrera, Wilder; Candolfi, Christophe; Oeschler, Niels; Baitinger, Michael; Steglich, Frank; Grin, Yuri

    2010-08-18

    BaGe(5) constitutes a new type of intermetallic clathrate obtained by decomposition of clathrate-I Ba(8)Ge(43)(3) at low temperatures. The crystal structure consists of characteristic layers interconnected by covalent bonds. BaGe(5) is a semiconducting Zintl phase.

  13. How strong is it? The interpretation of force and compliance constants as bond strength descriptors.

    Science.gov (United States)

    Brandhorst, Kai; Grunenberg, Jörg

    2008-08-01

    Knowledge about individual covalent or non-covalent bond strengths is the Holy Grail of many modern molecular sciences. Recent developments of new descriptors for such interaction strengths based on potential constants are summarised in this tutorial review. Several publications for and against the use of compliance matrices (inverse force constants matrix) have appeared in the literature in the last few years. However the mathematical basis for understanding, and therefore interpreting, compliance constants is still not well developed. We therefore summarise the theoretical foundations and point to the advantages and disadvantages of the use of force constants versus compliance constants for the description of both non-covalent and covalent interactions.

  14. Abrasive wear of intermetallics

    International Nuclear Information System (INIS)

    Hawk, J.A.; Alman, D.E.; Wilson, R.D.

    1995-01-01

    The US Bureau of Mines is investigating the wear behavior of a variety of advanced materials. Among the many materials under evaluation are intermetallic alloys based on the compounds: Fe 3 Al, Ti 3 Al, TiAl, Al 3 Ti, NiAl and MoSi 2 . The high hardness, high modulus, low density, and superior environmental stability of these compounds make them attractive for wear materials. This paper reports on the abrasive wear of alloys and composites based on the above compounds. The abrasive wear behavior of these alloys and composites are compared to other engineering materials used in wear applications

  15. Intermetallic semiconducting films

    CERN Document Server

    Wieder, H H

    1970-01-01

    Intermetallic Semiconducting Films introduces the physics and technology of AшВv compound films. This material is a type of a polycrystalline semiconductor that is used for galvanomagnetic device applications. Such material has a high electron mobility that is ideal for generators and magnetoresistors. The book discusses the available references on the preparation and identification of the material. An assessment of its device applications and other possible use is also enumerated. The book describes the structures and physical parts of different films. A section of the book covers the three t

  16. Fatigue of superalloys and intermetallics

    International Nuclear Information System (INIS)

    Stoloff, N.S.

    1993-01-01

    The fatigue behavior of intermetallic alloys and their composites is contrasted to that of nickel-base superalloys. The roles of microstructure and slip planarity are emphasized. Obstacles to use of intermetallics under cyclic loading conditions are described and future research directions are suggested

  17. Microscopic models for proton transfer in water and strongly hydrogen-bonded complexes with a single-well proton potential

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2004-01-01

    A new mechanism and formalism for proton transfer in donor-acceptor complexes with long hydrogen bonds introduced recently [1], is applied to a proton transfer in liquid water. "Structural diffusion" of hydroxonium ions is regarded as totally adiabatic process, with synchronous hindered translation...... of two closest water molecules to and from the reaction complex as crucial steps. The water molecules induce a "gated" shift of the proton from the donor to the acceptor in the double-well potential with simultaneous breaking/formation of hydrogen bonds between these molecules and the proton donor...... and acceptor. The short-range and long-range proton transfer as "structural diffusion" of Zundel complexes is also considered. The theoretical formalism is illustrated with the use of Morse, exponential, and harmonic molecular potentials. This approach is extended to proton transfer in strongly hydrogen...

  18. Solid-State17O NMR Reveals Hydrogen-Bonding Energetics: Not All Low-Barrier Hydrogen Bonds Are Strong.

    Science.gov (United States)

    Lu, Jiasheng; Hung, Ivan; Brinkmann, Andreas; Gan, Zhehong; Kong, Xianqi; Wu, Gang

    2017-05-22

    While NMR and IR spectroscopic signatures and structural characteristics of low-barrier hydrogen bond (LBHB) formation are well documented in the literature, direct measurement of the LBHB energy is difficult. Here, we show that solid-state 17 O NMR spectroscopy can provide unique information about the energy required to break a LBHB. Our solid-state 17 O NMR data show that the HB enthalpy of the O⋅⋅⋅H⋅⋅⋅N LBHB formed in crystalline nicotinic acid is only 7.7±0.5 kcal mol -1 , suggesting that not all LBHBs are particularly strong. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. A Relativity Enhanced, Medium-Strong Au(I)···H-N Hydrogen Bond in a Protonated Phenylpyridine-Gold(I) Thiolate.

    Science.gov (United States)

    Berger, Raphael J F; Schoiber, Jürgen; Monkowius, Uwe

    2017-01-17

    Gold is an electron-rich metal with a high electronegativity comparable to that of sulfur. Hence, hydrogen bonds of the Au(I)···H-E (E = electronegative element) type should be possible, but their existence is still under debate. Experimental results are scarce and often contradictory. As guidance for possible preparative work, we have theoretically investigated (ppyH)Au(SPh) (ppy = 2-phenylpyridine) bearing two monoanionic ligands which are not strongly electronegative at the same time to further increase the charge density on the gold(I) atom. The protonated pyridine nitrogen atom in ppy is geometrically ideally suited to place a proton in close proximity to the gold atom in a favorable geometry for a classical hydrogen bond arrangement. Indeed, the results of the calculations indicate that the hydrogen bonded conformation of (ppyH)Au(SPh) represents a minimum geometry with bond metrics in the expected range for medium-strong hydrogen bonds [r(N-H) = 1.043 Å, r(H···Au) = 2.060 Å, a(N-H···Au) = 141.4°]. The energy difference between the conformer containing the H···Au bond and another conformer without a hydrogen bond amounts to 7.8 kcal mol -1 , which might serve as an estimate of the hydrogen bond strength. Spectroscopic properties were calculated, yielding further characteristics of such hydrogen bonded gold species.

  20. Enhanced dispersion stability and mobility of carboxyl-functionalized carbon nanotubes in aqueous solutions through strong hydrogen bonds

    International Nuclear Information System (INIS)

    Bahk, Yeon Kyoung; He, Xu; Gitsis, Emmanouil; Kuo, Yu-Ying; Kim, Nayoung; Wang, Jing

    2015-01-01

    Dispersion of carbon nanotubes has been heavily studied due to its importance for their technical applications, toxic effects, and environmental impacts. Common electrolytes, such as sodium chloride and potassium chloride, promote agglomeration of nanoparticles in aqueous solutions. On the contrary, we discovered that acetic electrolytes enhanced the dispersion of multi-walled carbon nanotubes (MWCNTs) with carboxyl functional group through the strong hydrogen bond, which was confirmed by UV–Vis spectrometry, dispersion observations and aerosolization-quantification method. When concentrations of acetate electrolytes such as ammonium acetate (CH 3 CO 2 NH 4 ) and sodium acetate (CH 3 CO 2 Na) were lower than 0.03 mol per liter, MWCNT suspensions showed better dispersion and had higher mobility in porous media. The effects by the acetic environment are also applicable to other nanoparticles with the carboxyl functional group, which was demonstrated with polystyrene latex particles as an example

  1. NMR studies of solid pentachlorophenol-4-methylpyridine complexes exhibiting strong OHN hydrogen bonds: geometric H/D isotope effects and hydrogen bond coupling cause isotopic polymorphism.

    Science.gov (United States)

    Ip, Brenda C K; Shenderovich, Ilya G; Tolstoy, Peter M; Frydel, Jaroslaw; Denisov, Gleb S; Buntkowsky, Gerd; Limbach, Hans-Heinrich

    2012-11-26

    We have studied the hydrogen bond interactions of (15)N labeled 4-methylpyridine (4-MP) with pentachlorophenol (PCP) in the solid state and in polar solution using various NMR techniques. Previous spectroscopic, X-ray, and neutron crystallographic studies showed that the triclinic 1:1 complex (4-MPPCP) exhibits the strongest known intermolecular OHN hydrogen bond in the solid state. By contrast, deuteration of the hydrogen bond gives rise to the formation of a monoclinic structure exhibiting a weaker hydrogen bond. By performing NMR experiments at different deuterium fractions and taking advantage of dipolar (1)H-(15)N recoupling under combined fast MAS and (1)H decoupling, we provide an explanation of the origin of the isotopic polymorphism of 4-MPPCP and improve previous chemical shift correlations for OHN hydrogen bonds. Because of anharmonic ground state vibrations, an ODN hydrogen bond in the triclinic form exhibits a shorter oxygen-hydron and a longer oxygen-nitrogen distance as compared to surrounding OHN hydrogen bonds, which also implies a reduction of the local dipole moment. The dipole-dipole interaction between adjacent coupled OHN hydrogen bonds which determines the structure of triclinic 4-MPPCP is then reduced by deuteration, and other interactions become dominant, leading to the monoclinic form. Finally, the observation of stronger OHN hydrogen bonds by (1)H NMR in polar solution as compared to the solid state is discussed.

  2. Size-dependent Young’s modulus in ZnO nanowires with strong surface atomic bonds

    Science.gov (United States)

    Fan, Shiwen; Bi, Sheng; Li, Qikun; Guo, Qinglei; Liu, Junshan; Ouyang, Zhongliang; Jiang, Chengming; Song, Jinhui

    2018-03-01

    The mechanical properties of size-dependent nanowires are important in nano-electro-mechanical systems (NEMSs), and have attracted much research interest. Characterization of the size effect of nanowires in atmosphere directly to broaden their practical application instead of just in high vacuum situations, as reported previously, is desperately needed. In this study, we systematically studied the Young’s modulus of vertical ZnO nanowires in atmosphere. The diameters ranged from 48 nm to 239 nm with a resonance method using non-contact atomic force microscopy. The values of Young’s modulus in atmosphere present extremely strong increasing tendency with decreasing diameter of nanowire due to stronger surface atomic bonds compared with that in vacuum. A core-shell model for nanowires is proposed to explore the Young’s modulus enhancement in atmosphere, which is correlated with atoms of oxygen occurring near the nanowire surface. The modified model is more accurate for analyzing the mechanical behavior of nanowires in atmosphere compared with the model in vacuum. Furthermore, it is possible to use this characterization method to measure the size-related elastic properties of similar wire-sharp nanomaterials in atmosphere and estimate the corresponding mechanical behavior. The study of the size-dependent Young’s modulus in ZnO nanowires in atmosphere will improve the understanding of the mechanical properties of nanomaterials as well as providing guidance for applications in NEMSs, nanogenerators, biosensors and other related areas.

  3. Experimental and numerical study of a modified ASTM C633 adhesion test for strongly-bonded coatings

    Energy Technology Data Exchange (ETDEWEB)

    Bernardie, Raphaëlle; Berkouch, Reda; Valette, Stéphane; Absi, Joseph; Lefort, Pierre [University of Limoges, Limoges Cedex (France)

    2017-07-15

    When coatings are strongly bonded to their substrates it is often difficult to measure the adhesion values. The proposed method, which is suggested naming “silver print test”, consists in covering the central part of the samples with a thin layer of silver paint, before coating. The process used for testing this new method was the Air plasma spraying (APS), and the materials used were alumina coatings on C35 steel substrates, previously pre-oxidized in CO{sub 2}. The silver painted area was composed of small grains that did not oxidize but that significantly sintered during the APS process. The silver layer reduced the surface where the coating was linked to the substrate, which allowed its debonding, using the classical adhesion test ASTM C633-13, while the direct use of this test (without silver painting) led to ruptures inside the glue used in this test. The numerical modelling, based on the finite element method with the ABAQUS software, provided results in good agreement with the experimental measurements. This concordance validated the used method and allowed accessing to the values of adherence when the experimental test ASTM C633-13 failed, because of ruptures in the glue. After standardization, the “silver print test” might be used for other kinds of deposition methods, such as PVD, CVD, PECVD.

  4. High hardness in the biocompatible intermetallic compound β-Ti3Au.

    Science.gov (United States)

    Svanidze, Eteri; Besara, Tiglet; Ozaydin, M Fevsi; Tiwary, Chandra Sekhar; Wang, Jiakui K; Radhakrishnan, Sruthi; Mani, Sendurai; Xin, Yan; Han, Ke; Liang, Hong; Siegrist, Theo; Ajayan, Pulickel M; Morosan, E

    2016-07-01

    The search for new hard materials is often challenging, but strongly motivated by the vast application potential such materials hold. Ti3Au exhibits high hardness values (about four times those of pure Ti and most steel alloys), reduced coefficient of friction and wear rates, and biocompatibility, all of which are optimal traits for orthopedic, dental, and prosthetic applications. In addition, the ability of this compound to adhere to ceramic parts can reduce both the weight and the cost of medical components. The fourfold increase in the hardness of Ti3Au compared to other Ti-Au alloys and compounds can be attributed to the elevated valence electron density, the reduced bond length, and the pseudogap formation. Understanding the origin of hardness in this intermetallic compound provides an avenue toward designing superior biocompatible, hard materials.

  5. Wire bonding in microelectronics

    CERN Document Server

    Harman, George G

    2010-01-01

    Wire Bonding in Microelectronics, Third Edition, has been thoroughly revised to help you meet the challenges of today's small-scale and fine-pitch microelectronics. This authoritative guide covers every aspect of designing, manufacturing, and evaluating wire bonds engineered with cutting-edge techniques. In addition to gaining a full grasp of bonding technology, you'll learn how to create reliable bonds at exceedingly high yields, test wire bonds, solve common bonding problems, implement molecular cleaning methods, and much more. Coverage includes: Ultrasonic bonding systems and technologies, including high-frequency systems Bonding wire metallurgy and characteristics, including copper wire Wire bond testing Gold-aluminum intermetallic compounds and other interface reactions Gold and nickel-based bond pad plating materials and problems Cleaning to improve bondability and reliability Mechanical problems in wire bonding High-yield, fine-pitch, specialized-looping, soft-substrate, and extreme-temperature wire bo...

  6. Isotope dependent, temperature regulated, energy repartitioning in a low-barrier, short-strong hydrogen bonded cluster

    NARCIS (Netherlands)

    Li, X. H.; Oomens, J.; Eyler, J. R.; Moore, D. T.; Iyengar, S. S.

    2010-01-01

    We investigate and analyze the vibrational properties, including hydrogen/deuterium isotope effects, in a fundamental organic hydrogen bonded system using multiple experimental (infrared multiple photon dissociation and argon-tagged action spectroscopy) and computational techniques. We note a

  7. Properties and reactions of manganese methylene complexes in the gas phase. The importance of strong metal: carbene bonds for effective olefin metathesis catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Stevens, A.E.; Beauchamp, J.L.

    1979-10-10

    In this communication the formation, properties and reactions of the gas phase carbenes MnCH/sub 2//sup +/, (CO)/sub 5/MnCH/sub 2//sup +/, and (CO)/sub 4/MnCH/sub 2//sup +/ are described. Reported results include observation of metathesis and abstraction reactions of the methylene ligand with olefins and the first experimental determination of metal-carbene bond dissociation energies. Important points are that: (a) metal-methylene bond energies are extremely strong; and (b) the Mn/sup +/-methylene bond energy is decreased substantially on addition of five carbonyls to the metal center. If the metal-carbene bond energy exceeds 100 kcal/mol, then transfer of the carbene to an olefin to give a cyclopropane or new olefin will be endothermic and thus will not compete with the metathesis reaction. In order to avoid low turnover numbers resulting from consumption of carbene intermediates, strong metal-carbene bonds are a desirable feature of practical metathesis catalysts. (DP)

  8. Study and development of NiAl intermetallic coating on hypo-eutectoid steel using highly activated composite granules of the Ni-Al system

    Energy Technology Data Exchange (ETDEWEB)

    Shahzad, Aamir; Zadorozhnyy, Vladislav Yu.; Pavlov, Mikhail D.; Semenov, Dmitri V.; Kaloshkin, Sergey D. [National Univ. of Science and Technology (MISIS), Moscow (Russian Federation)

    2018-01-15

    NiAl intermetallic coating thickness of about 50 μm was fabricated on hypo-eutectoid steel by mechanical alloying using pre-activated Ni-Al composite granules as coating material. First, Ni and Al powders were mixed with the composition of Ni-50 at.% Al and mechanically activated in a planetary ball mill, until the composite granules of this powder mixture, having maximum activity (9 cm sec{sup -1}), were formed after 120 min of milling at 200 rpm. The composite granules were then taken out from the planetary ball mill just before the critical time, i. e. the time at which these granules synthesize and convert to an intermetallic NiAl compound. The highly activated composite granules of Ni-Al were then put into the vial of a vibratory ball mill with the substrate on top of the chamber. After mechanical alloying for 60 min in the vibratory ball mill, the composite granules were synthesized fully and heat was produced during the synthesis which helped producing a thick and strong adhesive coating of NiAl intermetallic on the steel substrate. The main advantage of this technique is that not only is time saved but also there is no need for any post mechanical alloying process such as annealing or laser treatment etc. to get homogeneous, strongly bonded intermetallic coatings. X-ray diffraction analysis clearly indicates the formation of NiAl phase. Micro-hardness of the coating and substrate was also measured. The cross-sectional microstructure of the composite granules and the final coating were studied by scanning electron microscopy.

  9. Respiratory chain strongly oxidizes the CXXC motif of DsbB in the Escherichia coli disulfide bond formation pathway.

    OpenAIRE

    Kobayashi, T; Ito, K

    1999-01-01

    Escherichia coli DsbB has four essential cysteine residues, among which Cys41 and Cys44 form a CXXC redox active site motif and the Cys104-Cys130 disulfide bond oxidizes the active site cysteines of DsbA, the disulfide bond formation factor in the periplasm. Functional respiratory chain is required for the cell to keep DsbA oxidized. In this study, we characterized the roles of essential cysteines of DsbB in the coupling with the respiratory chain. Cys104 was found to form the inactive comple...

  10. Intermetallic-Based High-Temperature Materials

    Energy Technology Data Exchange (ETDEWEB)

    Sikka, V.K.

    1999-04-25

    The intermetallic-based alloys for high-temperature applications are introduced. General characteristics of intermetallics are followed by identification of nickel and iron aluminides as the most practical alloys for commercial applications. An overview of the alloy compositions, melting processes, and mechanical properties for nickel and iron aluminizes are presented. The current applications and commercial producers of nickel and iron aluminizes are given. A brief description of the future prospects of intermetallic-based alloys is also given.

  11. New Raman method for aqueous solutions: xi-function dispersion evidence for strong F(-)-water H-bonds in aqueous CsF and KF solutions.

    Science.gov (United States)

    Walrafen, George E

    2005-08-15

    The Raman xi-function dispersion method recently elucidated for the strong H-bond breaker, ClO4-, in water [G. E. Walrafen, J. Chem. Phys. 122, 094510 (2005)] is extended to the strongly H-bond forming ion, F-. Measuring the xi function is analogous to measuring DeltaG from the thermodynamic activity of the water, aH2O, as the stoichiometric mol fraction of the water in the solution decreases due to addition of an electrolyte or nonelectrolyte. xi is the derivative of the OH-stretching part of the Gibbs free energy with respect to the water mol fraction; xiomega identical with-RT[ partial differential ln(Iomega/IREF) partial differentialX2](T,P). I is the Raman intensity at omega (omega=Raman shift in cm-1); IREF, that at an arbitrary reference omega; and, X2 is the water mol fraction (X1=CsF or KF mol fraction). ln(Iomega/IREF) was found to be linear in X2 for the complete range of OH-stretching omega's, with correlation coefficients as large as 0.999 96. Linearity of ln(Iomega/IREF) versus X2 is an experimental fact for all omega's throughout the spontaneous Raman OH-stretching contour; this fact cannot be negated by relative contributions of ultrafast/fast, homogeneous/inhomogeneous processes which may underlie this linearity. Linearity in ln(Iomega/IREF) versus 1T, or in ln(Iomega/IREF) versus P, was also observed for the Raman H-bond energy DeltaE and pair volume DeltaV dispersions, respectively. A low-frequency maximum (MAX) and a high-frequency minimum (MIN) were observed in the xi function dispersion curve. Deltaxi=xiMIN-xiMAX values of -7000+/-800-cal/mol H2O for CsF, and the experimentally equal Deltaxi=-6400+/-1000-cal/mol H2O for KF, were obtained. These Deltaxi's are opposite in sign but have nearly the same absolute magnitude as the Deltaxi value for NaClO4 in water; Deltaxi=+8050+/-100-cal/mol H2O. A positive Deltaxi corresponds to a water-water H-bond breaker; a negative Deltaxi to a H-bond former; specifically, a F--water H-bond former, in the

  12. Method for making devices having intermetallic structures and intermetallic devices made thereby

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Brian Kevin (Oregon State University, Corvallis, OR); Wilson, Rick D.; Alman, David E.

    2004-01-06

    A method and system for making a monolithic intermetallic structure are presented. The structure is made from lamina blanks which comprise multiple layers of metals which are patternable, or intermetallic lamina blanks that are patternable. Lamina blanks are patterned, stacked and registered, and processed to form a monolithic intermetallic structure. The advantages of a patterned monolithic intermetallic structure include physical characteristics such as melting temperature, thermal conductivity, and corrosion resistance. Applications are broad, and include among others, use as a microreactor, heat recycling device, and apparatus for producing superheated steam. Monolithic intermetallic structures may contain one or more catalysts within the internal features.

  13. Effects of strong inter-hydrogen bond dynamical couplings in the polarized IR spectra of adipic acid crystals

    Energy Technology Data Exchange (ETDEWEB)

    Flakus, Henryk T., E-mail: flakus@ich.us.edu.pl [Institute of Chemistry, University of Silesia, 9 Szkolna Street, Pl-40-006 Katowice (Poland); Tyl, Aleksandra; Jablonska, Magdalena [Institute of Chemistry, University of Silesia, 9 Szkolna Street, Pl-40-006 Katowice (Poland)

    2009-10-16

    This paper presents the results of the re-investigation of polarized IR spectra of adipic acid and of its d{sub 2}, d{sub 8} and d{sub 10} deuterium derivative crystals. The spectra were measured at 77 K by a transmission method using polarized light for two different crystalline faces. Theoretical analysis concerned linear dichroic effects and H/D isotopic effects observed in the spectra of the hydrogen and deuterium bonds in adipic acid crystals at the frequency ranges of the {nu}{sub O-H} and the {nu}{sub O-D} bands. The two-branch fine structure pattern of the {nu}{sub O-H} and {nu}{sub O-D} bands and the basic linear dichroic effects characterizing them were ascribed to the vibronic mechanism of vibrational dipole selection rule breaking for IR transitions in centrosymmetric hydrogen bond dimers. It was proved that for isotopically diluted crystalline samples of adipic acid, a non-random distribution of protons and deuterons occurs in the dimers (H/D isotopic 'self-organization' effect). This effect results from the dynamical co-operative interactions involving the dimeric hydrogen bonds.

  14. Effects of strong inter-hydrogen bond dynamical couplings in the polarized IR spectra of adipic acid crystals

    Science.gov (United States)

    Flakus, Henryk T.; Tyl, Aleksandra; Jablońska, Magdalena

    2009-10-01

    This paper presents the results of the re-investigation of polarized IR spectra of adipic acid and of its d2, d8 and d10 deuterium derivative crystals. The spectra were measured at 77 K by a transmission method using polarized light for two different crystalline faces. Theoretical analysis concerned linear dichroic effects and H/D isotopic effects observed in the spectra of the hydrogen and deuterium bonds in adipic acid crystals at the frequency ranges of the νO-H and the νO-D bands. The two-branch fine structure pattern of the νO-H and νO-D bands and the basic linear dichroic effects characterizing them were ascribed to the vibronic mechanism of vibrational dipole selection rule breaking for IR transitions in centrosymmetric hydrogen bond dimers. It was proved that for isotopically diluted crystalline samples of adipic acid, a non-random distribution of protons and deuterons occurs in the dimers (H/D isotopic " self-organization" effect). This effect results from the dynamical co-operative interactions involving the dimeric hydrogen bonds.

  15. Suppressors made from intermetallic materials

    Science.gov (United States)

    Klett, James W; Muth, Thomas R; Cler, Dan L

    2014-11-04

    Disclosed are several examples of apparatuses for suppressing the blast and flash produced as a projectile is expelled by gases from a firearm. In some examples, gases are diverted away from the central chamber to an expansion chamber by baffles. The gases are absorbed by the expansion chamber and desorbed slowly, thus decreasing pressure and increasing residence time of the gases. In other examples, the gases impinge against a plurality of rods before expanding through passages between the rods to decrease the pressure and increase the residence time of the gases. These and other exemplary suppressors are made from an intermetallic material composition for enhanced strength and oxidation resistance at high operational temperatures.

  16. Intermetallic alloys: Deformation, mechanical and fracture behaviour

    International Nuclear Information System (INIS)

    Dogan, B.

    1988-01-01

    The state of the art in intermetallic alloys development with particular emphasis on deformation, mechanical and fracture behaviour is documented. This review paper is prepared to lay the ground stones for a future work on mechanical property characterization and fracture behaviour of intermetallic alloys at GKSS. (orig.)

  17. Manufacturing of REBCO coils strongly bonded to cooling members with epoxy resin aimed at its application to Maglev

    International Nuclear Information System (INIS)

    Mizuno, Katsutoshi; Ogata, Masafumi; Hasegawa, Hitoshi

    2014-01-01

    Highlights: • Paraffin has a risk of losing thermal coupling during cooling down. • We propose an epoxy impregnated REBCO coil co-wound with PTFE tape. • The coil is tightly bonded to cooling members by epoxy resin without the degradation. • We made a REBCO racetrack coil with the same outer dimension as the Maglev magnet. - Abstract: The REBCO coated conductor has been attracted attention because of its high current density in the presence of high magnetic field. If the coated conductor is applied to Maglev, the operational temperature of the on-board magnets will be over 40 K and energy consumption of cryocoolers will be reduced. That high operational temperature also means the absence of liquid helium. Therefore, reliable thermal coupling is desirable for cooling the coils. We propose an epoxy impregnated REBCO coil co-wound with PTFE tape. While the PTFE tape prevents the performance degradation of the coil, the epoxy resin bonds the coil to cooling members. We carried out three experiments to confirm that the coil structure which we propose has robust thermal coupling without the degradation. First, thermal resistances of paraffin and epoxy were measured varying the temperature from room temperature to 10 K. The measurement result indicates that paraffin has a risk of losing thermal coupling during cooling down. In another experiment, PTFE (polytetrafluoroethylene) tape insulator prevented performance degradation of a small epoxy impregnated REBCO coil, while another REBCO coil with polyimide tape showed clear performance degradation. Finally, we produced a racetrack REBCO coil with the same outer dimension as a Maglev on-board magnet coil. Although the racetrack coil was installed in a GFRP coil case and tightly bonded to the case by epoxy impregnation, any performance degradation was not observed

  18. Intermetallics structures, properties, and statistics

    CERN Document Server

    Steurer, Walter

    2016-01-01

    The focus of this book is clearly on the statistics, topology, and geometry of crystal structures and crystal structure types. This allows one to uncover important structural relationships and to illustrate the relative simplicity of most of the general structural building principles. It also allows one to show that a large variety of actual structures can be related to a rather small number of aristotypes. It is important that this book is readable and beneficial in the one way or another for everyone interested in intermetallic phases, from graduate students to experts in solid-state chemistry/physics/materials science. For that purpose it avoids using an enigmatic abstract terminology for the classification of structures. The focus on the statistical analysis of structures and structure types should be seen as an attempt to draw the background of the big picture of intermetallics, and to point to the white spots in it, which could be worthwhile exploring. This book was not planned as a textbook; rather, it...

  19. Unusually strong H-bonding to the heme ligand and fast geminate recombination dynamics of the carbon monoxide complex of Bacillus subtilis truncated hemoglobin.

    Science.gov (United States)

    Feis, Alessandro; Lapini, Andrea; Catacchio, Bruno; Brogioni, Silvia; Foggi, Paolo; Chiancone, Emilia; Boffi, Alberto; Smulevich, Giulietta

    2008-01-22

    The active site of the oxygen-avid truncated hemoglobin from Bacillus subtilis has been characterized by infrared absorption and resonance Raman spectroscopies, and the dynamics of CO rebinding after photolysis has been investigated by picosecond transient absorption spectroscopy. Resonance Raman experiments on the CO bound adduct revealed the presence of two Fe-CO stretching bands at 545 and 520 cm-1, respectively. Accordingly, two C-O stretching bands at 1924 and 1888 cm-1 were observed in infrared absorption and resonance Raman measurements. The very low C-O stretching frequency at 1888 cm-1 (corresponding to the extremely high RR stretching frequency at 545 cm-1) indicates unusually strong hydrogen bonding between CO and distal residues. On the basis of a comparison with other truncated hemoglobin it is envisaged that the two CO conformers are determined by specific interactions with the TrpG8 and TyrB10 residues. Mutation of TrpG8 to Leu deeply alters the hydrogen-bonding network giving rise mainly to a CO conformer characterized by a Fe-CO stretching band at 489 cm-1 and a CO stretching band at 1958 cm-1. Picosecond laser photolysis experiments carried out on the CO bound adduct revealed dynamical processes that take place within a few nanoseconds after photolysis. Picosecond dynamics is largely dominated by CO geminate rebinding and is consistent with strong H-bonding contributions of TyrB10 and TrpG8 to ligand stabilization.

  20. Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding.

    Science.gov (United States)

    Joly, Laurent; Tocci, Gabriele; Merabia, Samy; Michaelides, Angelos

    2016-04-07

    Defects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boron nitride sheets. We show that water dissociates at certain defects and that these "reactive" defects lead to much larger friction than the "nonreactive" defects at which water molecules remain intact. Furthermore, we find that friction is extremely sensitive to the chemical structure of reactive defects and to the number of hydrogen bonds they can partake in with the liquid. Finally, we discuss how the insight obtained from AIMD can be used to quantify the influence of defects on friction in nanofluidic devices for water treatment and sustainable energy harvesting. Overall, we provide new insight into the role of interfacial chemistry on nanofluidic transport in real, defective systems.

  1. Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids

    Science.gov (United States)

    Van Hoozen, Brian L.; Petersen, Poul B.

    2018-04-01

    Medium and strong hydrogen bonds give rise to broad vibrational features frequently spanning several hundred wavenumbers and oftentimes exhibiting unusual substructures. These broad vibrational features can be modeled from first principles, in a reduced dimensional calculation, that adiabatically separates low-frequency modes, which modulate the hydrogen bond length, from high-frequency OH stretch and bend modes that contribute to the vibrational structure. Previously this method was used to investigate the origin of an unusual vibrational feature frequently found in the spectra of dimers between carboxylic acids and nitrogen-containing aromatic bases that spans over 900 cm-1 and contains two broad peaks. It was found that the width of this feature largely originates from low-frequency modes modulating the hydrogen bond length and that the structure results from Fermi resonance interactions. In this report, we examine how these features change with the relative acid and base strength of the components as reflected by their aqueous pKA values. Dimers with large pKA differences are found to have features that can extend to frequencies below 1000 cm-1. The relationships between mean OH/NH frequency, aqueous pKA, and O-N distance are examined in order to obtain a more rigorous understanding of the origin and shape of the vibrational features. The mean OH/NH frequencies are found to correlate well with O-N distances. The lowest OH stretch frequencies are found in dimer geometries with O-N distances between 2.5 and 2.6 Å. At larger O-N distances, the hydrogen bonding interaction is not as strong, resulting in higher OH stretch frequencies. When the O-N distance is smaller than 2.5 Å, the limited space between the O and N determines the OH stretch frequency, which gives rise to frequencies that decrease with O-N distances. These two effects place a lower limit on the OH stretch frequency which is calculated to be near 700 cm-1. Understanding how the vibrational features

  2. Structure Defect Property Relationships in Binary Intermetallics

    Science.gov (United States)

    Medasani, Bharat; Ding, Hong; Chen, Wei; Persson, Kristin; Canning, Andrew; Haranczyk, Maciej; Asta, Mark

    2015-03-01

    Ordered intermetallics are light weight materials with technologically useful high temperature properties such as creep resistance. Knowledge of constitutional and thermal defects is required to understand these properties. Vacancies and antisites are the dominant defects in the intermetallics and their concentrations and formation enthalpies could be computed by using first principles density functional theory and thermodynamic formalisms such as dilute solution method. Previously many properties of the intermetallics such as melting temperatures and formation enthalpies were statistically analyzed for large number of intermetallics using structure maps and data mining approaches. We undertook a similar exercise to establish the dependence of the defect properties in binary intermetallics on the underlying structural and chemical composition. For more than 200 binary intermetallics comprising of AB, AB2 and AB3 structures, we computed the concentrations and formation enthalpies of vacancies and antisites in a small range of stoichiometries deviating from ideal stoichiometry. The calculated defect properties were datamined to gain predictive capabilities of defect properties as well as to classify the intermetallics for their suitability in high-T applications. Supported by the US DOE under Contract No. DEAC02-05CH11231 under the Materials Project Center grant (Award No. EDCBEE).

  3. Joining Thick Section Aluminum to Steel with Suppressed FeAl Intermetallic Formation via Friction Stir Dovetailing

    Energy Technology Data Exchange (ETDEWEB)

    Reza E Rabby, MD; Ross, Kenneth A.; Overman, Nicole R.; Olszta, Matthew J.; Mcdonnell, Martin; Whalen, Scott A.

    2018-04-17

    A new solid-phase technique called friction stir dovetailing (FSD) has been developed for joining thick section aluminum to steel. In FSD, mechanical interlocks are formed at the aluminum-steel interface and are reinforced by metallurgical bonds where intermetallic growth has been uniquely suppressed. Lap shear testing shows superior strength and extension at failure compared to popular friction stir approaches where metallurgical bonding is the only joining mechanism. High resolution microscopy revealed the presence of a 40-70 nm interlayer having a composition of 76.4 at% Al, 18.4 at% Fe, and 5.2 at% Si, suggestive of limited FeAl3 intermetallic formation.

  4. Intermetallics: past, present and future

    Directory of Open Access Journals (Sweden)

    Morris, D. G.

    2005-12-01

    Full Text Available Intermetallics have seen extensive world-wide attention over the past decades. For the most part these studies have examined multi-phase aluminide based alloys, because of their high stiffness, combined with reasonable strength and ductility, good structural stability and oxidation resistance, and attempted to improve current Ni-base superalloys, Ti-base alloys, or Fe-base stainless steels for structural aerospace applications. The current status of development and application of such materials is briefly reviewed. Future developments are taking intermetallics from the realm of "improved high-temperature but low-ductility metallic alloys" into the realm of "improved aggressive-environment, high-toughness ceramic-like alloys". Such evolution will be outlined.

    Durante los últimos décadas ha habido un desarrollo de los intermetálicos, sobre todo por aplicaciones estructurales a alta temperatura en aplicaciones aeroespaciales, donde, por su rigidez alta, en combinación con una resistencia mecánica y ductilidad razonable, su buena estabilidad estructural y resistencia a la oxidación, han sido vistos como versiones avanzadas y mejoradas de las aleaciones metálicas como, por ejemplo, las superaleaciones a base de nitrógeno y las aleaciones de titanio. Se discute el desarrollo importante durante las últimas décadas, y también los nuevos desarrollos probables durante los próximos años. Se podrían ver los intermetálicos como versiones mejoradas de los cerámicos.

  5. Sintered cobalt-rare earth intermetallic product

    International Nuclear Information System (INIS)

    Benz, M.G.

    1975-01-01

    This patent describes a sintered product having substantially stable permanent magnet properties in air at room temperature. It comprises compacted particulate cobalt--rare earth alloy consisting essentially of a Co 5 R intermetallic phase and a CoR intermetallic phase which is richer in rare earth metal content than the Co 5 R phase, where R is a rare earth metal. The Co 5 R intermetallic phase is present in an amount of at least 65 percent by weight of the sintered product and the CoR intermetallic phase which is richer in rare earth metal content than the Co 5 R phase is present in a positive amount having a value ranging up to about 35 percent by weight of the product. The sintered product has a density of at least 87 percent and has pores which are substantially noninterconnecting and wherein the component grains have an average size less than 30 microns

  6. Electronic bond structure of the H2+ ion in a strong magnetic field: A study of the parallel configuration

    International Nuclear Information System (INIS)

    Kappes, U.; Schmelcher, P.

    1995-01-01

    A large number of magnetically dressed states of the hydrogen molecular ion for parallel internuclear and magnetic field axes are investigated. The numerical calculations of the molecular states and potential-energy curves in the fixed-nuclei approximation are based on a recently established and optimized atomic orbital basis set. We study electronic states within the range 0≤|m|≤10 of magnetic quantum numbers and for several field strengths. In particular, we also investigate many excited states within a subspace for fixed magnetic quantum number and parity. In order to understand the influence of the magnetic field on theof excited molecular states, we perform a detailed comparison of the electronic probability distributions and potential-energy curves in the field-free space with those in the presence of a magnetic field. As a major result we observe the existence of two different classes of strongly bound, i.e., stable, magnetically dressed states whose corresponding counterparts in the field-free space exhibit purely repulsive potential-energy curves, i.e., are unstable. Corrections which are going beyond the fixed-nuclei approach, i.e., the coupling of the center of mass to the electronic motion, as well as the mass corrections are investigated in order to ensure the physical validity of our results

  7. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.

    Science.gov (United States)

    Stare, Jernej; Panek, Jarosław; Eckert, Juergen; Grdadolnik, Joze; Mavri, Janez; Hadzi, Dusan

    2008-02-21

    Infrared, Raman and INS spectra of picolinic acid N-oxide (PANO) were recorded and examined for the location of the hydronic modes, particularly O-H stretching and COH bending. PANO is representative of strong chelate hydrogen bonds (H-bonds) with its short O...O distance (2.425 A). H-bonding is possibly well-characterized by diffraction, NMR and NQR data and calculated potential energy functions. The analysis of the spectra is assisted by DFT frequency calculations both in the gas phase and in the solid state. The Car-Parrinello quantum mechanical solid-state method is also used for the proton dynamics simulation; it shows the hydron to be located about 99% of time in the energy minimum near the carboxylic oxygen; jumps to the N-O acceptor are rare. The infrared spectrum excels by an extended absorption (Zundel's continuum) interrupted by numerous Evans transmissions. The model proton potential functions on which the theories of continuum formation are based do not correspond to the experimental and computed characteristics of the hydrogen bond in PANO, therefore a novel approach has been developed; it is based on crystal dynamics driven hydronium potential fluctuation. The envelope of one hundred 0 --> 1 OH stretching transitions generated by molecular dynamics simulation exhibits a maximum at 1400 cm-1 and a minor hump at approximately 1600 cm-1. These positions square well with ones predicted for the COH bending and OH stretching frequencies derived from various one- and two-dimensional model potentials. The coincidences with experimental features have to be considered with caution because the CPMD transition envelope is based solely on the OH stretching coordinate while the observed infrared bands correspond to heavily mixed modes as was previously shown by the normal coordinate analysis of the IR spectrum of argon matrix isolated PANO, the present CPMD frequency calculation and the empirical analysis of spectra. The experimental infrared spectra show some

  8. Intramolecular interactions in dimedone and phenalen-1,3-dione adducts of 2(4)-pyridinecarboxaldehyde: Enol-enol and ring-chain tautomerism, strong hydrogen bonding, zwitterions

    Science.gov (United States)

    Sigalov, Mark; Shainyan, Bagrat; Krief, Pnina; Ushakov, Igor; Chipanina, Nina; Oznobikhina, Larisa

    2011-12-01

    The 2:1 adducts of dimedone and phenalen-1,3-dione with 2- and 4-pyridine carboxaldehyde, in spite of similar chemical behavior of their diketone precursors, have quite different tautomeric structure both in solid state and in solution. 2,2'-(Pyridin-2-ylmethanediyl)-bis(5,5-dimethyl-cyclohexane-1,3-dione) 5 exists as an equilibrium mixture of its dienol tautomer 5а' with two intramolecular H-bonds ОН⋯О dbnd С and OH ⋯N and the epimeric products of its reversible cyclization, that is, 4a-hydroxy-9-(pyridin-2-yl)-2,3,4,4a,6,7,9,9a-octahydro-5-H-xanthene-1,8-diones 5b (major) and 5c (minor), the latter appears only in polar media like DMSO. 2,2'-(Pyridin-4-ylmethanediyl)bis(5,5-dimethylcyclohexane-1,3-dione) 4, like other 2:1 dimedone-aldehyde adducts, both in solution and in solid state exists as dienol with two intramolecular H-bonds ОН ⋯О dbnd С. 4-[Bis(1H-phenalen-1,3(2H)-dione)methyl]pyridine 6 in nonpolar media like chloroform exists as dienol, but crystallizes from this solvent as zwitter-ion 6b with one very strong ionic hydrogen bond O sbnd H ⋯O sbnd and protonated pyridine nitrogen. The same zwitterion is formed in polar media (DMSO). For 2-[bis(1H-phenalen-1,3(2H)-dione)-methyl]-pyridine 7, fast exchange between its dienol tautomer 7a and zwitter-ion 7b occurs even in CD2Cl2, whereas in DMSO the equilibrium shifts towards zwitter-ion 7b.

  9. 2. Intermetallic compounds with lanthanides

    International Nuclear Information System (INIS)

    Elemans, J.B.A.A.

    1975-01-01

    Theoretical considerations are given concerning the structures of intermetallic compounds of the lanthanides and thorium (R) on the one hand, and with Fe, Co or Ni (M) on the other. They all derive from the parent composition RM 5 with the CaCu 5 hexagonal structure. This consists of alternate layers in which the M atoms are distinguished as M 1 and M 2 . The other compounds whose structures are studied are obtained by systematic replacement of R by M, or vice versa. In the first type, every third R is replaced by two M's yielding R 2 M 17 compounds. The substitution may be truly random or structured in two ways: so that either the hexagonal structure is maintained or that it is converted into a rhombihedral one. In the second type, one M (in a M 1 position) out of every five is replaced by one R, giving rise to RM 2 compounds which form Laves phases. In the third type, the M 1 's are replaced by R's, resulting in compounds RM 3 . In the fourth type, every third M is replaced by R, yielding R 2 M 7 compounds. With M = Co and R a light lanthanide, the compounds are ferromagnets; with R yttrium, thorium, or a heavy lanthanide, they are ferrimagnets. The preparation of the compounds in an arc-melting apparatus under an Ar-atmosphere followed by annealing is described

  10. Magnetic properties of rare-earth intermetallics

    International Nuclear Information System (INIS)

    Kirchmayr, H.

    1978-01-01

    A review is given of the concepts at present used to explain the magnetic properties of rare-earth intermetallics which have been the subject of numerous investigations in recent years. Rare-earth intermetallics with the formula Rsub(a)Bsub(b) are divided according to the magnetic moment of the B atom(s). If there is no magnetic moment present at the B-site, the exchange is only between the magnetic moments at the R-sites, which can only be of indirect character. One possible model is still the RKKY model, although it usually gives in practice only a qualitative description of the magnetic properties. Typical R-B compounds with the B-moment equal to zero are (for instance) the RA1 2 compounds, and related compounds such as the RZn and RCd compounds as well as compounds of the general formula RB 2 (B = Ni, Os, Ir, Pd, Ru or Rh). Of all intermetallics with nonzero B-moment, the R-3d intermetallics are the most important. These intermetallics can be formed with Mn, Fe, Co and Ni. In these systems there exist in principle three interactions, namely between the R-R, R-3d and 3d-3d atoms. The most important is usually the latter interaction. After a short discussion of the crystal structures which occur with R-3d intermetallics, the basic magnetic properties of R-3d intermetallics are presented. These properties are discussed with respect to the formation of a magnetic moment at the 3d site in the framework of present band theories. Special emphasis is given to a discussion of the localized or itinerant character of 3d electrons. (author)

  11. Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimer.

    Science.gov (United States)

    Small, David W; Head-Gordon, Martin

    2017-07-14

    The Coupled Cluster Valence Bond (CCVB) method, previously presented for closed-shell (CS) systems, is extended to open-shell (OS) systems. The theoretical development is based on embedding the basic OS CCVB wavefunction in a fictitious singlet super-system. This approach reveals that the OS CCVB amplitude equations are quite similar to those of CS CCVB, and thus that OS CCVB requires the same level of computational effort as CS CCVB, which is an inexpensive method. We present qualitatively correct CCVB potential energy curves for all low-lying spin states of P 2 and Mn 2 + . CCVB is successfully applied to the low-lying spin states of some model linear polycarbenes, systems that appear to be a hindrance to standard density functionals. We examine an octa-carbene dimer in a side-by-side orientation, which, in the monomer dissociation limit, exhibits maximal strong correlation over the length of the polycarbene.

  12. 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

  13. Zirconium intermetallics and hydrogen uptake during corrosion

    International Nuclear Information System (INIS)

    Cox, B.

    1987-04-01

    The routes by which hydrogen can enter zirconium alloys containing second phase particles during corrosion are discussed. Both direct diffusion through the bulk of the oxide film, and migration through second phase particles that intersect the surface are considered. An examination of results for hydrogen uptake by zirconium alloys during the early stages of oxidation, when the oxide film is still coherent, suggests that for Zr, Zr-1%Cu and Zr-1%Fe the hydrogen enters by diffusing through the bulk ZrO 2 film, whereas for the Zircaloys the primary migration route may be through the intermetallics. The steps in the latter process are discussed and the evidence available on the properties of the intermetallics collated. A comparison of these data with results for hydrogen uptake by two series of ternary alloys (Zr-1%Nb - 1%X, Zr-1%Cu - 1%X) suggests that high hydrogen uptakes often correlate with intermetallics with high hydrogen solubilities and vice versa. The properties of Zr(Fe/Cr) 2+x intermetallics are examined in an attempt to understand the behaviour of the Zircaloys, and it is concluded that present data establishing composition and unit cell dimensions for such intermetallic particles are not of sufficient accuracy to permit a correlation

  14. Structural and functional intermetallics - an overview

    International Nuclear Information System (INIS)

    Varin, R.A.

    2000-01-01

    This overview presents the current status of the research and development of both structural and functional intermetallics. On the one hand, the discussion is focused on commercialization and existing industrial applications of intermetallics. Within this frame the applications of titanium aluminides (TiAl) for turbocharger rotors and exhaust valves in automotive industry are being discussed. Advances in the applications of TiAl alloys for the next generation of turbine blades in aerospace/aircraft segment are also presented. The entire spectrum of nickel and iron aluminide alloys developed commercially by the Oak Ridge national Laboratory (USA) and the examples of their application in various segments of industry are thoroughly discussed. Some inroads made in the application of directionally solidified (DS) multiphase niobium silicides (Nb 3 Si+Nb 5 Si 3 ) in situ intermetallic composites with the goal of pushing the service temperature envelope of turbine blades to ∼ 1200-1300 o C are also discussed. On the other hand, various topics in basic or curiosity driven research of titanium aluminides and trialuminides, iron aluminides and high temperature structural silicides are discussed. Some very recent findings on the improvements in fracture toughness and strength of titanium trialuminides and magnetic behaviour of unconventionally cold - worked iron aluminides are highlighted. The topic of functional intermetallics is limited to the systems must suitable for hydrogen storage applications. A perspective on the directions of future research and development of intermetallics is also provided. (author)

  15. Environmental embrittlement of ordered intermetallics at ambient temperatures

    International Nuclear Information System (INIS)

    Takasugi, Takayuki

    1993-01-01

    It is demonstrated that the environmental embrittlement of ordered intermetallics, which is caused by hydrogen released from moisture in air or hydrogen gas in environment at ambient temperatures, takes place in various kinds of crystal structures, alloys and microstructures. First, the phenomenology of the environmental embrittlement, i.e. atmosphere, temperature and strain rate dependencies, as well as alloying, doping and microstructural effects, is presented in terms of mechanical properties, fractography and microstructural features. Next, possible mechanisms of embrittlement involving the kinetics (i.e. decomposition, migration and condensation of hydrogen) and the bond breaking are discussed. Finally, some evidence indicating suppression of the embrittlement through selection of deformation condition, alloying and microstructural modification is presented. 52 refs., 11 figs., 2 tabs

  16. Tuning intermetallic electronic coupling in polyruthenium systems ...

    Indian Academy of Sciences (India)

    A large number of polynuclear ruthenium complexes encompassing selective combinations of spacer (bridging ligand, BL) and ancillary (AL) functionalities have been designed. The extent of intermetallic electronic communication in mixed-valent states and the efficacy of the ligand frameworks towards the tuning of ...

  17. High temperature fatigue behaviour of intermetallics

    Indian Academy of Sciences (India)

    M. Senthilkumar (Newgen Imaging) 1461 1996 Oct 15 13:05:22

    brittle to ductile transition temperature, mean stress and environment on fatigue behaviour of same γ-TiAl alloys are discussed. Keywords. Nickel aluminides; titanium aluminides; low cycle fatigue; micro- alloying. 1. Introduction. Ordered intermetallic alloys have undergone extensive development over the past two decades.

  18. Crystal structure analysis of intermetallic compounds

    Science.gov (United States)

    Conner, R. A., Jr.; Downey, J. W.; Dwight, A. E.

    1968-01-01

    Study concerns crystal structures and lattice parameters for a number of new intermetallic compounds. Crystal structure data have been collected on equiatomic compounds, formed between an element of the Sc, Ti, V, or Cr group and an element of the Co or Ni group. The data, obtained by conventional methods, are presented in an easily usable tabular form.

  19. Surfaces of Intermetallics: Quasicrystals and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Yuen, Chad [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    The goal of this work is to characterize surfaces of intermetallics, including quasicrystals. In this work, surface characterization is primarily focused on composition and structure using X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM) performed under ultrahigh vacuum (UHV) conditions.

  20. Structural and Electronic Investigations of Complex Intermetallic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ko, Hyunjin [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    structures of these and related materials. Such calculations allow us to examine various interactions at the atomic scale, interactions which include orbital overlap, two-electron interactions, and Madelung terms. Moreover, these electronic studies also provide links between the angstrom-scale atomic interactions and the macro-scale physical properties, such as magnetism. Over the past few decades, there have been many significant developments toward understanding structure-bonding-property relationships in extended solids in terms of variables including atomic size, valence electron concentration, and electronegativity. However, many simple approaches based on electron counting, e.g., the octet rule, the 18-electron rule, or Wade's rules for boranes, cannot be applied adequately or universally to many of the more complex intermetallic compounds. For intermetallic phases that include late transition metals and post transition main group elements as their constituents, one classification scheme has been developed and effectively applied by using their valence electron count per atom (vec). These compounds are known as Hume-Rothery electron phases, and they have a variety of structure types with vec < 2.0 as shown in Table 1.

  1. The μ3 model of acids and bases: extending the Lewis theory to intermetallics.

    Science.gov (United States)

    Stacey, Timothy E; Fredrickson, Daniel C

    2012-04-02

    A central challenge in the design of new metallic materials is the elucidation of the chemical factors underlying the structures of intermetallic compounds. Analogies to molecular bonding phenomena, such as the Zintl concept, have proven very productive in approaching this goal. In this Article, we extend a foundational concept of molecular chemistry to intermetallics: the Lewis theory of acids and bases. The connection is developed through the method of moments, as applied to DFT-calibrated Hückel calculations. We begin by illustrating that the third and fourth moments (μ(3) and μ(4)) of the electronic density of states (DOS) distribution tune the properties of a pseudogap. μ(3) controls the balance of states above and below the DOS minimum, with μ(4) then determining the minimum's depth. In this way, μ(3) predicts an ideal occupancy for the DOS distribution. The μ(3)-ideal electron count is used to forge a link between the reactivity of transition metals toward intermetallic phase formation, and that of Lewis acids and bases toward adduct formation. This is accomplished through a moments-based definition of acidity which classifies systems that are electron-poor relative to the μ(3)-ideal as μ(3)-acidic, and those that are electron-rich as μ(3)-basic. The reaction of μ(3) acids and bases, whether in the formation of a Lewis acid/base adduct or an intermetallic phase, tends to neutralize the μ(3) acidity or basicity of the reactants. This μ(3)-neutralization is traced to the influence of electronegativity differences at heteroatomic contacts on the projected DOS curves of the atoms involved. The role of μ(3)-acid/base interactions in intermetallic phases is demonstrated through the examination of 23 binary phases forming between 3d metals, the stability range of the CsCl type, and structural trends within the Ti-Ni system.

  2. Pressure effect on magnetic and magnetotransport properties of intermetallic and colossal magnetoresistance oxide compounds

    International Nuclear Information System (INIS)

    Arnold, Z; Ibarra, M R; Algarabel, P A; Marquina, C; Teresa, Jose MarIa de; Morellon, L; Blasco, J; Magen, C; Prokhnenko, O; Kamarad, J; Ritter, C

    2005-01-01

    The joint power of neutron diffraction and pressure techniques allows us to characterize under unique conditions the nature and different role of basic interactions in solids. We have covered a broad phenomenology in archetypical compounds: intermetallics and magnetic oxides. We have selected compounds in which the effect of moderate pressure is able to modify the electronic structure and bond angles that in turn are in the bases of magnetic and structural transitions. Complex magnetic and structural phase diagrams are reported for compounds with magnetic (Tb 1-X Y X Mn 2 ) and structural (RE 5 Si 4-X Ge X ) instabilities. Pressure-induced change of the magnetic structure in (R 2 Fe 17 ) intermetallics and the effect on the colossal magnetoresistance manganites are described

  3. Forging of FeAl intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Flores, O.; Juarez, J.; Campillo, B.; Martinez, L. [UNAM, Cuernavaca (Mexico). Lab. de Cuernavaca; Schneibel, J.H. [Oak Ridge National Lab., TN (United States)

    1994-09-01

    Much activity has been concentrated on the development of intermetallic compounds with the aim of improving tensile ductility, fracture toughness and high notch sensitivity in order to develop an attractive combination of properties for high and low temperature applications. This paper reports experience in processing and forging of FeAl intermetallic of B2 type. During the experiments two different temperatures were employed, and the specimens were forged after annealing in air, 10{sup {minus}2} torr vacuum and argon. From the results it was learned that annealing FeAl in argon atmosphere prior to forging resulted in better deformation behavior than for the other two environments. For the higher forging temperature used in the experiments (700C), the as-cast microstructure becomes partially recrystallized.

  4. Environmentally dependent bond-order potentials: New ...

    Indian Academy of Sciences (India)

    Unknown

    temperature intermetallic Ti–Al alloys. In particular, new results on the core structures and possible ... negative Cauchy, for example, in the case of titanium aluminides which is one of the most promising high-tem- ..... causing the surrounding neighbours to leave the ddσ bond unscreened. On the other hand, the second ...

  5. Neutron scattering on hydrides of intermetallic compounds

    International Nuclear Information System (INIS)

    Hempelmann, R.

    1986-11-01

    This review surveys the application of neutron scattering for the investigation of the microscopic behaviour of hydrogen in intermetallic compounds. This concerns the structure as well as the dynamics. Neutron diffraction experiments were performed on Ti 1.2 Mn 1.8 D 3 and LaNi 5 D 7 . In the latter case the dominant nickel scattering could be suppressed by isotope substitution with 60 Ni, and the anisotropic broadening of the Bragg peaks could be modelled in a correspondingly modified Rietveld-profile refinement. For the investigation of hydrogen diffusion in intermetallic hydrides by means of quasielastic neutron scattering an iterative multiple scattering correction procedure has been developped which allows a reliable determination of hydrogen diffusion coefficients. The mechanism of hydrogen diffusion in intermetallic hydrides comprises three types of jumps: escape jumps out of energetically lower interstitials, transport jumps over the energetically higher sites and locally restricted jump processes. For Ti 1.2 Mn 1.8 H 3 the main features of the diffusional behaviour could be described quantitatively in the framework of a three state model. By means of neutron vibrational spectroscopy information about the occupied hydrogen sites and thus about the structure can be extracted from the symmetry splitting of the vibrational modes. In this way we showed that in α-LaNi 5 H x , La 2 Ni 4 -octahedral and La 2 Ni 2 -tetrahedral interstitial sites are occupied. (orig./GG)

  6. Electronic Structure of GdCuGe Intermetallic Compound

    Science.gov (United States)

    Lukoyanov, A. V.; Knyazev, Yu. V.; Kuz'min, Yu. I.

    2018-04-01

    The electronic structure of GdCuGe intermetallic compound has been studied. Spin-polarized energy spectrum calculations have been performed by the band method with allowance for strong electron correlations in the 4 f-shell of gadolinium ions. Antiferromagnetic ordering of GdCuGe at low temperatures has been obtained in a theoretical calculation, with the value of the effective magnetic moment of gadolinium ions reproduced in fair agreement with experimental data. The electronic density of states has been analyzed. An optical conductivity spectrum has been calculated for GdCuGe; it reveals specific features that are analogous to the ones discovered previously in the GdCuSi compound with a similar hexagonal structure.

  7. Collapsed tetragonal phase as a strongly covalent and fully nonmagnetic state: Persistent magnetism with interlayer As-As bond formation in Rh-doped Ca0 .8Sr0 .2Fe2As2

    Science.gov (United States)

    Zhao, K.; Glasbrenner, J. K.; Gretarsson, H.; Schmitz, D.; Bednarcik, J.; Etter, M.; Sun, J. P.; Manna, R. S.; Al-Zein, A.; Lafuerza, S.; Scherer, W.; Cheng, J. G.; Gegenwart, P.

    2018-02-01

    A well-known feature of the CaFe2As2 -based superconductors is the pressure-induced collapsed tetragonal phase that is commonly ascribed to the formation of an interlayer As-As bond. Using detailed x-ray scattering and spectroscopy, we find that Rh-doped Ca0.8Sr0.2Fe2As2 does not undergo a first-order phase transition and that local Fe moments persist despite the formation of interlayer As-As bonds. Our density functional theory calculations reveal that the Fe-As bond geometry is critical for stabilizing magnetism and the pressure-induced drop in the c lattice parameter observed in pure CaFe2As2 is mostly due to a constriction within the FeAs planes. The collapsed tetragonal phase emerges when covalent bonding of strongly hybridized Fe 3 d and As 4 p states completely wins out over their exchange splitting. Thus the collapsed tetragonal phase is properly understood as a strong covalent phase that is fully nonmagnetic with the As-As bond forming as a by-product.

  8. Brushing up on the history of intermetallics in dentistry

    Science.gov (United States)

    Waterstrat, Richard M.

    1990-03-01

    Employing a silver-tin-mercury intermetallic to repair cavities may seem a little unusual, but intermetallics are quite common in dentistry, ranging from gold crowns to braces. Although the human mouth can be unfriendly territory for a brittle intermetallic alloy, dental amalgam has been around since 659 A.D., and its technology has been developed to the point where a filling can be expected to last 30 years or more.

  9. The role of London dispersion interactions in strong and moderate intermolecular hydrogen bonds in the crystal and in the gas phase

    Science.gov (United States)

    Katsyuba, Sergey A.; Vener, Mikhail V.; Zvereva, Elena E.; Brandenburg, J. Gerit

    2017-03-01

    Two variants of density functional theory computations have been applied to characterization of hydrogen bonds of the 1-(2-hydroxylethyl)-3-methylimidazolium acetate ([C2OHmim][OAc]), i.e. with and without inclusion of dispersion interactions. A comparison of the results demonstrates that London dispersion interactions have very little impact on the energetical, geometrical, infrared spectroscopic and electron density parameters of charge-assisted intermolecular hydrogen bonds functioning both in the crystal of the [C2OHmim][OAc] and in the isolated [C2OHmim]+ [OAc]- ion pairs.

  10. Nine supramolecular assemblies from 5,7-dimethyl-1,8-naphthyridine-2-amine and carboxylic acids by strong classical H-bonds and other noncovalent associations

    Science.gov (United States)

    Ding, Aihua; Jin, Shouwen; Jin, Shide; Guo, Ming; Liu, Hui; Guo, Jianzhong; Wang, Daqi

    2017-12-01

    This article demonstrates 5,7-dimethyl-1,8-naphthyridine-2-amine based organic salt formation in nine crystalline solids 1-9, in which the carboxylates have been integrated. Addition of equivalents of the COOH to the solution of 5,7-dimethyl-1,8-naphthyridine-2-amine generates the singly protonated cationic species which direct the carboxylates. The nine compounds crystallize as their organic salts with the COOH proton transferred to the aromatic N of the 5,7-dimethyl-1,8-naphthyridine-2-amine. All salts have been characterized by IR, mp, EA and XRD technique. The major driving force in 1-9 is the classical H-bonds from 5,7-dimethyl-1,8-naphthyridine-2-amine and the acids, here the Nsbnd H⋯O H-bonds were found in all salts. Other extensive non-covalent interactions also exhibit great functions in space association of the molecular counterparts in relevant crystals. Except 4, all salts had the CHsbnd O, or CH3sbnd O interactions or both. Except 9, the common R22 (8) graph set has been observed in all salts due to the H-bonds and the non-covalent associations. For the synergistic interactions of the classical H-bonds and the various non-covalent associations, the salts displayed 1D-3D structures.

  11. Novel routes to new intermetallic compounds

    International Nuclear Information System (INIS)

    Kilcoyne, S.H.; Manuel, P.; Ritter, C.

    1999-01-01

    Recent kinetic in situ neutron diffraction measurements of the crystallisation and phase formation processes in amorphous metallic alloys have shown that it is possible to create entirely new, intermetallic compounds with extremely novel structures and magnetic properties. The technique therefore offers the opportunity of probing the interplay of structural, magnetic and electronic properties in more detail than ever before. In this report, we illustrate the technique with the results of a kinetic neutron diffraction experiment in which the very high count rates available on the D20 powder diffractometer have allowed the crystallisation of amorphous Y 7 Fe 3 to be followed in situ. (authors)

  12. Phase Stability in Cobalt-Based L12 Quaternary Intermetallics From Density Functional Theory

    Science.gov (United States)

    Earwood, William P.

    The effects of higher order alloying additions (Mo, Ti, Ta, Hf, Fe, V) on the phase stability of L12 (gamma') intermetallics have been studied via first-principles. A 32 atom special-quasi-random structure was used to mimic the experimentally observed solid solution sublattice. Density of states distributions were generated in order to directly observe the impact of alloying additions on the position of the pseudogap and number of states at the Fermi level. Charge density differences across the supercell were visualized to analyze changes in bonding behavior. The results indicate that substitutions of Ti, Ta, and Hf in place of the central W atom increase phase stability by lowering the number of states at the Fermi level and decreasing the energy of the pseudogap relative to the unperturbed structure. Additionally, these substitutions increase the directional nature of the bond with nearest neighbor Co atoms. In particular, Co-Al bonds are reinforced at the expense of adjacent Co-W bonds which is expected to prolong dissociation of Co-Al bonds. Substitution of Fe led to a pronounced decrease in phase stability and directional bonding, indicating its inability to stabilize the base configuration or increase the bonding strength. V and Mo substitutions maintained the parent electron distribution to a greater degree than Ti, Ta, Hf, or Fe. However, V was shown to decrease the energy of the pseudogap by a significant amount and resembled the proposed ?' stabilizers more so than Mo.

  13. Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding

    Directory of Open Access Journals (Sweden)

    Finkelstein Alexei V

    2007-07-01

    Full Text Available Abstract Background The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even to keep a protein molecule in its native conformation in the course of molecular dynamics simulations or to bring an approximate, homology-based model of protein structure closer to its native conformation. Results A strict analysis shows that a specific coupling of multi-atom Van der Waals interactions with covalent bonding can, in extreme cases, increase (or decrease the interaction energy by about 20–40% at certain angles between the direction of interaction and the covalent bond. It is also shown that on average multi-body effects decrease the total Van der Waals energy in proportion to the square root of the electronic component of dielectric permittivity corresponding to dipole-dipole interactions at small distances, where Van der Waals interactions take place. Conclusion The study shows that currently-ignored multi-atom Van der Waals interactions can, in certain instances, lead to significant energy effects, comparable to those caused by the replacement of atoms (for instance, C by N in conventional pairwise Van der Waals interactions.

  14. All-in-One: Achieving Robust, Strongly Luminescent and Highly Dispersible Hybrid Materials by Combining Ionic and Coordinate Bonds in Molecular Crystals.

    Science.gov (United States)

    Liu, Wei; Zhu, Kun; Teat, Simon J; Dey, Gangotri; Shen, Zeqing; Wang, Lu; O'Carroll, Deirdre M; Li, Jing

    2017-07-12

    Extensive research has been pursued to develop low-cost and high-performance functional inorganic-organic hybrid materials for clean/renewable energy related applications. While great progress has been made in the recent years, some key challenges remain to be tackled. One major issue is the generally poor stability of these materials, which originates from relatively fragile/weak bonds between inorganic and organic constituents. Herein, we report a unique "all-in-one" (AIO) approach in constructing robust structures with desired properties. Such approach allows formation of both ionic and coordinate bonds within a molecular cluster, which greatly enhances structural stability while maintaining the molecular identity of the cluster and its high luminescence. The novel AIO structures are composed of various anionic (Cu m I m+n ) n- clusters and cationic N-ligands. They exhibit high luminescence efficiency, significantly improved chemical, thermal and moisture stability, and excellent solution processability. Both temperature dependent photoluminescence experiments and DFT calculations are performed to investigate the luminescence origin and emission mechanism of these materials, and their suitability as energy-saving LED lighting phosphors is assessed. This study offers a new material designing strategy that may be generalized to many other material classes.

  15. Titanium aluminide intermetallic alloys with improved wear resistance

    Science.gov (United States)

    Qu, Jun; Lin, Hua-Tay; Blau, Peter J.; Sikka, Vinod K.

    2014-07-08

    The invention is directed to a method for producing a titanium aluminide intermetallic alloy composition having an improved wear resistance, the method comprising heating a titanium aluminide intermetallic alloy material in an oxygen-containing environment at a temperature and for a time sufficient to produce a top oxide layer and underlying oxygen-diffused layer, followed by removal of the top oxide layer such that the oxygen-diffused layer is exposed. The invention is also directed to the resulting oxygen-diffused titanium aluminide intermetallic alloy, as well as mechanical components or devices containing the improved alloy composition.

  16. Roles of Titanium-Intermetallic Compound Layer

    Science.gov (United States)

    Lee, Chii-Chang

    Four different configurations have been tested: Al-Cu, Ti/Al-Cu, Al-Cu/Ti, and Ti/Al-Cu/Ti to evaluate the possible contributions of Ti-intermetallic compound layer(s) to enhancement of the lifetime to failure. Basically, the proposed mechanisms can be classified into two groups: shunting effect and effects limited to changes in Al-Cu conducting layer(s). A resistance monitoring technique was adopted to supplement lifetime measurement to separate these two effects. By correlating the first resistance jump (spike) to the happening of a complete open across Al-Cu layer, it was found that the shunting effect contributes to enhancement of the lifetime by 4 times in Ti/Al-Cu, 2 times in Al-Cu/Ti, and 2 times in Ti/Al-Cu/Ti. A Ti underlayer was found to contribute mainly the shunting effect. However, from drift velocity measurements and failure mode analysis, it is possible to deduce that a Ti overlayer contributes not only the shunting effect but also another effect that acts to diminish the grain boundary mass transport rate by a factor of about 76. It is believed that the latter effect is a consequence of the high compressive yield stength conferred by the Ti-intermetallic compound overlayer to the Al-Cu layer. Finally, an important non-destructive technique, based on the characteristic x-rays generated by energetic electrons, to characterize the mass divergences in multilayer interconnects, was developed in this research, called SMEISIS, representing Simultaneous Multiple Elements Intensity Scanning of Interconnecting Stripes. This technique was proved to be capable of revealing detail about the shapes, nature, and location of mass divergence that cannot be revealed by thermal wave image technique and that requires time consuming multiple sectioning in TEM and SEM methods.

  17. The importance of play in promoting healthy child development and maintaining strong parent-child bond: focus on children in poverty.

    Science.gov (United States)

    Milteer, Regina M; Ginsburg, Kenneth R

    2012-01-01

    Play is essential to the social, emotional, cognitive, and physical well-being of children beginning in early childhood. It is a natural tool for children to develop resiliency as they learn to cooperate, overcome challenges, and negotiate with others. Play also allows children to be creative. It provides time for parents to be fully engaged with their children, to bond with their children, and to see the world from the perspective of their child. However, children who live in poverty often face socioeconomic obstacles that impede their rights to have playtime, thus affecting their healthy social-emotional development. For children who are underresourced to reach their highest potential, it is essential that parents, educators, and pediatricians recognize the importance of lifelong benefits that children gain from play.

  18. Microstructure and properties of hot roll bonding layer of dissimilar metals. 2. Bonding interface microstructure of Zr/stainless steel by hot roll bonding and its controlling

    International Nuclear Information System (INIS)

    Yasuyama, Masanori; Ogawa, Kazuhiro; Taka, Takao; Nakasuji, Kazuyuki; Nakao, Yoshikuni; Nishimoto, Kazutoshi.

    1996-01-01

    The hot roll bonding of zirconium and stainless steel inserted with tantalium was investigated using the newly developed rolling mill. The effect of hot rolling temperatures of zirconium/stainless steel joints on bonding interface structure was evaluated. Intermetallic compound layer containing cracks was observed at the bonding interface between stainless steel and tantalium when the rolling temperature was above 1373K. The hardness of the bonding layer of zirconium and tantalium bonded above 1273K was higher than tantalium or zirconium base metal in spite of absence of intermetallic compound. The growth of reaction layer at the stainless steel and tantalium interface and at the tantalium and zirconium interface was conforming a parabolic low when that was isothermally heated after hot roll bonding, and the growth rate was almost same as that of static diffusion bonding without using hot roll bonding process. It is estimated that the strain caused by hot roll bonding gives no effect on the growth of reaction layer. It was confirmed that the dissimilar joint of zirconium and stainless steel with insert of tantalium having the sound bonding interface were obtained at the suitable bonding temperature of 1173K by the usage of the newly developed hot roll bonding process. (author)

  19. Crystal Structure, Chemical Bonding and Magnetism Studies for Three Quinary Polar Intermetallic Compounds in the (Eu1−xCax9In8(Ge1−ySny8 (x = 0.66, y = 0.03 and the (Eu1−xCax3In(Ge3−ySn1+y (x = 0.66, 0.68; y = 0.13, 0.27 Phases

    Directory of Open Access Journals (Sweden)

    Hyein Woo

    2015-04-01

    Full Text Available Three quinary polar intermetallic compounds in the (Eu1−xCax9In8(Ge1−ySny8 (x = 0.66, y = 0.03 and the (Eu1−xCax3In(Ge3-ySn1+y (x = 0.66, 0.68; y = 0.13, 0.27 phases have been synthesized using the molten In-metal flux method, and the crystal structures are characterized by powder and single-crystal X-ray diffractions. Two orthorhombic structural types can be viewed as an assembly of polyanionic frameworks consisting of the In(Ge/Sn4 tetrahedral chains, the bridging Ge2 dimers, either the annulene-like “12-membered rings” for the (Eu1−xCax9In8(Ge1−ySny8 series or the cis-trans Ge/Sn-chains for the (Eu1−xCax3In(Ge3−ySn1+y series, and several Eu/Ca-mixed cations. The most noticeable difference between two structural types is the amount and the location of the Sn-substitution for Ge: only a partial substitution (11% occurs at the In(Ge/Sn4 tetrahedron in the (Eu1−xCax9In8(Ge1−ySny8 series, whereas both a complete and a partial substitution (up to 27% are observed, respectively, at the cis-trans Ge/Sn-chain and at the In(Ge/Sn4 tetrahedron in the (Eu1−xCax3In(Ge3−ySn1+y series. A series of tight-binding linear muffin-tin orbital calculations is conducted to understand overall electronic structures and chemical bonding among components. Magnetic susceptibility measurement indicates a ferromagnetic ordering of Eu atoms below 5 K for Eu1.02(1Ca1.98InGe2.87(1Sn1.13.

  20. Crystal structure, chemical bonding and magnetism studies for three quinary polar intermetallic compounds in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 (x = 0.66, y = 0.03) and the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) (x = 0.66, 0.68; y = 0.13, 0.27) phases.

    Science.gov (United States)

    Woo, Hyein; Jang, Eunyoung; Kim, Jin; Lee, Yunho; Kim, Jongsik; You, Tae-Soo

    2015-04-22

    Three quinary polar intermetallic compounds in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 (x = 0.66, y = 0.03) and the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) (x = 0.66, 0.68; y = 0.13, 0.27) phases have been synthesized using the molten In-metal flux method, and the crystal structures are characterized by powder and single-crystal X-ray diffractions. Two orthorhombic structural types can be viewed as an assembly of polyanionic frameworks consisting of the In(Ge/Sn)4 tetrahedral chains, the bridging Ge2 dimers, either the annulene-like "12-membered rings" for the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 series or the cis-trans Ge/Sn-chains for the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) series, and several Eu/Ca-mixed cations. The most noticeable difference between two structural types is the amount and the location of the Sn-substitution for Ge: only a partial substitution (11%) occurs at the In(Ge/Sn)4 tetrahedron in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 series, whereas both a complete and a partial substitution (up to 27%) are observed, respectively, at the cis-trans Ge/Sn-chain and at the In(Ge/Sn)4 tetrahedron in the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) series. A series of tight-binding linear muffin-tin orbital calculations is conducted to understand overall electronic structures and chemical bonding among components. Magnetic susceptibility measurement indicates a ferromagnetic ordering of Eu atoms below 5 K for Eu1.02(1)Ca1.98InGe2.87(1)Sn1.13.

  1. Development of Intelligent Processing Methodology for Intermetallic Matrix Composites

    National Research Council Canada - National Science Library

    1997-01-01

    .... Intermetallic matrix composites (IMCs), reinforced with a dispersed ceramic phase, will be incorporated into metallic matrices to serve as reinforcing entities within the resulting multi-lithic reinforced composite (MRC...

  2. Synthesis, Characterization and Properties of Nanoparticles of Intermetallic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States)

    2015-03-12

    The research program from 2010 to the end of the grant focused on understanding the factors important to the synthesis of single phase intermetallic nano-particles (NPs), their size, crystalline order, surface properties and electrochemical activity. The synthetic method developed is a co-reduction of mixtures of single metal precursors by strong, soluble reducing agents in a non-protic solvent, tetrahydrofuran (THF). With some exceptions, the particles obtained by room temperature reduction are random alloys that need to be annealed at modest temperatures (200 to 600 °C) in order to develop an ordered structure. To avoid significant particle size growth and agglomeration, the particles must be protected by surface coatings. We developed a novel method of coating the metal nanoparticles with KCl, a by-product of the reduction reaction if the proper reducing agents are employed. In that case, a composite product containing individual metal nanoparticles in a KCl matrix is obtained. The composite can be heated to at least 600 °C without significant agglomeration or growth in particle size. Washing the annealed product in the presence of catalyst supports in ethylene glycol removes the KCl and deposits the particles on the support. Six publications present the method and its application to producing and studying new catalyst/support combinations for fuel cell applications. Three publications concern the use of related methods to explore new lithium-sulfur battery concepts.

  3. Effect of Sr and solidification conditions on characteristics of intermetallic in Al-Si 319 industrial alloys

    International Nuclear Information System (INIS)

    Espinoza-Cuadra, J.; Gallegos-Acevedo, P.; Mancha-Molinar, H.; Picado, A.

    2010-01-01

    An experimental study was carried out to determine the effect of strontium (Sr) on the characteristic of intermetallic phases, particularly the Al 5 FeSi phase which present morphology of platelets or needle-like. The results showed that within the range of variables studied, the modification process caused the disappearance of the needles and only occur the precipitation of phase α (chinese script-like). Refinement of the intermetallic phases occurs in conjunction with the refinement in grain size. Both parameters depend strongly on local cooling rate (T), temperature gradient (G) and apparent rate of solidification front (V). In the case of equiaxed structures the refinement of grain size and intermetallic occurs with increasing local cooling rate and temperature gradient and decrease the apparent rate of solidification front. In the case of columnar structures, refinement of grains and intermetallic requires the increase in values of the three variables indicated. Moreover, the addition of Sr resulted in the modification of silicon eutectic, as noted in others research works.

  4. Silver plating ensures reliable diffusion bonding of dissimilar metals

    Science.gov (United States)

    1967-01-01

    Dissimilar metals are reliably joined by diffusion bonding when the surfaces are electroplated with silver. The process involves cleaning and etching, anodization, silver striking, and silver plating with a conventional plating bath. It minimizes the formation of detrimental intermetallic phases and provides greater tolerance of processing parameters.

  5. Rare earth-ruthenium-magnesium intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Stein, Sebastian; Kersting, Marcel; Heletta, Lukas; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2017-07-01

    Eight new intermetallic rare earth-ruthenium-magnesium compounds have been synthesized from the elements in sealed niobium ampoules using different annealing sequences in muffle furnaces. The compounds have been characterized by powder and single crystal X-ray diffraction. Sm{sub 9.2}Ru{sub 6}Mg{sub 17.8} (a=939.6(2), c=1779(1) pm), Gd{sub 11}Ru{sub 6}Mg{sub 16} (a=951.9(2), c=1756.8(8) pm), and Tb{sub 10.5}Ru{sub 6}Mg{sub 16.5} (a=942.5(1), c=1758.3(4) pm) crystallize with the tetragonal Nd{sub 9.34}Ru{sub 6}Mg{sub 17.66} type structure, space group I4/mmm. This structure exhibits a complex condensation pattern of square-prisms and square-antiprisms around the magnesium and ruthenium atoms, respectively. Y{sub 2}RuMg{sub 2} (a=344.0(1), c=2019(1) pm) and Tb{sub 2}RuMg{sub 2} (a=341.43(6), c=2054.2(7) pm) adopt the Er{sub 2}RuMg{sub 2} structure and Tm{sub 3}Ru{sub 2}Mg (a=337.72(9), c=1129.8(4) pm) is isotypic with Sc{sub 3}Ru{sub 2}Mg. Tm{sub 3}Ru{sub 2}Mg{sub 2} (a=337.35(9), c=2671(1) pm) and Lu{sub 3}Ru{sub 2}Mg{sub 2} (a=335.83(5), c=2652.2(5) pm) are the first ternary ordered variants of the Ti{sub 3}Cu{sub 4} type, space group I4/mmm. These five compounds belong to a large family of intermetallics which are completely ordered superstructures of the bcc subcell. The group-subgroup scheme for Lu{sub 3}Ru{sub 2}Mg{sub 2} is presented. The common structural motif of all three structure types are ruthenium-centered rare earth cubes reminicent of the CsCl type. Magnetic susceptibility measurements of Y{sub 2}RuMg{sub 2} and Lu{sub 3}Ru{sub 2}Mg{sub 2} samples revealed Pauli paramagnetism of the conduction electrons.

  6. Irregular Homogeneity Domains in Ternary Intermetallic Systems

    Directory of Open Access Journals (Sweden)

    Jean-Marc Joubert

    2015-12-01

    Full Text Available Ternary intermetallic A–B–C systems sometimes have unexpected behaviors. The present paper examines situations in which there is a tendency to simultaneously form the compounds ABx, ACx and BCx with the same crystal structure. This causes irregular shapes of the phase homogeneity domains and, from a structural point of view, a complete reversal of site occupancies for the B atom when crossing the homogeneity domain. This work reviews previous studies done in the systems Fe–Nb–Zr, Hf–Mo–Re, Hf–Re–W, Mo–Re–Zr, Re–W–Zr, Cr–Mn–Si, Cr–Mo–Re, and Mo–Ni–Re, and involving the topologically close-packed Laves, χ and σ phases. These systems have been studied using ternary isothermal section determination, DFT calculations, site occupancy measurement using joint X-ray, and neutron diffraction Rietveld refinement. Conclusions are drawn concerning this phenomenon. The paper also reports new experimental or calculated data on Co–Cr–Re and Fe–Nb–Zr systems.

  7. High temperature intermetallic binders for HVOF carbides

    International Nuclear Information System (INIS)

    Shaw, K.G.; Gruninger, M.F.; Jarosinski, W.J.

    1994-01-01

    Gas turbines technology has a long history of employing the desirable high temperature physical attributes of ceramic-metallic (cermet) materials. The most commonly used coatings incorporate combinations of WC-Co and Cr 3 C 2 -NiCr, which have also been successfully utilized in other non-turbine coating applications. Increased turbine operating temperatures and other high temperature service conditions have made apparent the attractive notion of increasing the temperature capability and corrosion resistance of these coatings. In this study the intermetallic binder NiAl has been used to replace the cobalt and NiCr constituents of conventional WC and Cr 3 C 2 cermet powders. The composite carbide thermal spray powders were fabricated for use in the HVOF coating process. The structure of HVOF deposited NiAl-carbide coatings are compared directly to the more familiar WC-Co and Cr 3 C 2 -NiCr coatings using X-ray diffraction, back-scattered electron imaging (BEI) and electron dispersive spectroscopy (EDS). Hardness variations with temperature are reported and compared between the NiAl and Co/NiCr binders

  8. Synthesis of hydrides by interaction of intermetallic compounds with ammonia

    Energy Technology Data Exchange (ETDEWEB)

    Tarasov, Boris P., E-mail: tarasov@icp.ac.ru [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Fokin, Valentin N.; Fokina, Evelina E. [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Yartys, Volodymyr A., E-mail: volodymyr.yartys@ife.no [Institute for Energy Technology, Kjeller NO 2027 (Norway); Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim NO 7491 (Norway)

    2015-10-05

    Highlights: • Interaction of the intermetallics A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} with NH{sub 3} was studied. • The mechanism of interaction of the alloys with ammonia is temperature-dependent. • Hydrides, hydridonitrides, disproportionation products or metal–N–H compounds are formed. • NH{sub 4}Cl was used as an activator of the reaction between ammonia and intermetallics. • Interaction with ammonia results in the synthesis of the nanopowders. - Abstract: Interaction of intermetallic compounds with ammonia was studied as a processing route to synthesize hydrides and hydridonitrides of intermetallic compounds having various stoichiometries and types of crystal structures, including A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} (A = Mg, Ti, Zr, Sc, Nd, Sm; B = transition metals, including Fe, Co, Ni, Ti and nontransition elements, Al and B). In presence of NH{sub 4}Cl used as an activator of the reaction between ammonia and intermetallic alloys, their interaction proceeds at rather mild P–T conditions, at temperatures 100–200 °C and at pressures of 0.6–0.8 MPa. The mechanism of interaction of the alloys with ammonia appears to be temperature-dependent and, following a rise of the interaction temperature, it leads to the formation of interstitial hydrides; interstitial hydridonitrides; disproportionation products (binary hydride; new intermetallic hydrides and binary nitrides) or new metal–nitrogen–hydrogen compounds like magnesium amide Mg(NH{sub 2}){sub 2}. The interaction results in the synthesis of the nanopowders where hydrogen and nitrogen atoms become incorporated into the crystal lattices of the intermetallic alloys. The nitrogenated materials have the smallest particle size, down to 40 nm, and a specific surface area close to 20 m{sup 2}/g.

  9. Theoretical Analysis of Thermal Transport in Graphene Supported on Hexagonal Boron Nitride: The Importance of Strong Adhesion Due to π -Bond Polarization

    Science.gov (United States)

    Pak, Alexander J.; Hwang, Gyeong S.

    2016-09-01

    One important attribute of graphene that makes it attractive for high-performance electronics is its inherently large thermal conductivity (κ ) for the purposes of thermal management. Using a combined density-functional theory and classical molecular-dynamics approach, we predict that the κ of graphene supported on hexagonal boron nitride (h -BN) can be as large as 90% of the κ of suspended graphene, in contrast to the significant suppression of κ (more than 70% reduction) on amorphous silica. Interestingly, we find that this enhanced thermal transport is largely attributed to increased lifetimes of the in-plane acoustic phonon modes, which is a notable contrast from the dominant contribution of out-of-plane acoustic modes in suspended graphene. This behavior is possible due to the charge polarization throughout graphene that induces strong interlayer adhesion between graphene and h -BN. These findings highlight the potential benefit of layered dielectric substrates such as h -BN for graphene-based thermal management, in addition to their electronic advantages. Furthermore, our study brings attention to the importance of understanding the interlayer interactions of graphene with layered dielectric materials which may offer an alternative technological platform for substrates in electronics.

  10. Microstructure and bonding mechanism of Al/Ti bonded joint using Al-10Si-1Mg filler metal

    International Nuclear Information System (INIS)

    Sohn, Woong H.; Bong, Ha H.; Hong, Soon H.

    2003-01-01

    The microstructures and liquid state diffusion bonding mechanism of cp-Ti to 1050 Al using an Al-10.0wt.%Si-1.0wt.%Mg filler metal with 100 μm in thickness have been investigated at 620 deg. C under 1x10 -4 Torr. The effects of bonding process parameters on microstructure of bonded joint have been analyzed by using an optical microscope, AES, scanning electron microscopy and EDS. The interfacial bond strength of Al/Ti bonded joints was measured by the single lap shear test. The results show that the bonding at the interface between Al and filler metal proceeds by wetting the Al with molten filler metal, and followed by removal of oxide layer on surface of Al. The interface between Al and filler metal moved during the isothermal solidification of filler metal by the diffusion of Si from filler metal into Al layer. The interface between Al and filler metal became curved in shape with increasing bonding time due to capillary force at grain boundaries. The bonding at the interface between Ti and filler metal proceeds by the formation of two different intermetallic compound layers, identified as Al 5 Si 12 Ti 7 and Al 12 Si 3 Ti 5 , followed by the growth of the intermetallic compound layers. The interfacial bond strength at Al/Ti joint increased with increasing bonding time up to 25 min at 620 deg. C. However, the interfacial bond strength of Al/Ti joint decreased after bonding time of 25 min at 620 deg. C due to formation of cavities in Al near Al/intermetallic interfaces

  11. Phase transformations in intermetallic phases in zirconium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Filippov, V. P., E-mail: vpfilippov@mephi.ru [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute) (Russian Federation); Kirichenko, V. G. [Kharkiv National Karazin University (Ukraine); Salomasov, V. A. [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute) (Russian Federation); Khasanov, A. M. [University of North Carolina – Asheville, Chemistry Department (United States)

    2017-11-15

    Phase change was analyzed in intermetallic compounds of zirconium alloys (Zr – 1.03 at.% Fe; Zr – 0.51 at.% Fe; Zr – 0.51 at.% Fe – M(M = Nb, Sn). Mössbauer spectroscopy on {sup 57}Fe nuclei in backscattering geometry with the registration of the internal conversion electrons and XRD were used. Four types of iron bearing intermetallic compounds with Nb were detected. A relationship was found between the growth process of intermetallic inclusions and segregation of these phases. The growth kinetics of inclusions possibly is not controlled by bulk diffusion, and a lower value of the iron atom’s activation energy of migration can be attributed to the existence of enhanced diffusion paths and interface boundaries.

  12. Superplastic ceramics and intermetallics and their potential applications

    International Nuclear Information System (INIS)

    Wadsworth, J.; Nieh, T.G.

    1994-11-01

    Recent advances in the basic understanding of superplasticity and superplastic forming of ceramics and intermetallics are reviewed. Fine-grained superplastic ceramics, including yttria-stabilized tetragonal zirconia polycrystal, Y- or MgO-doped Al 2 O 3 Hydroxyapatite, β-spodumene glass ceramics, Al 2 0 3 -YTZP two-phase composites, SiC-Si 3 N 4 and Fe-Fe 3 C composites, are discussed. Superplasticity in the nickel-base (e.g., Ni 3 Al and Ni 3 Si) and titanium-base intermetallics (TiAl and T1 3 Al), is described. Deformation mechanisms as well as microstructural requirements and effects such as grain size, grain growth, and grain-boundary phases, on the superplastic deformation behavior am addressed. Factors that control the superplastic tensile elongation of ceramics are discussed. Superplastic forming, and particularly biaxial gas-pressure forming, of several ceramics and intermetallics are presented with comments on the likelihood of commercial application

  13. Body of Knowledge (BOK) for Copper Wire Bonds

    Science.gov (United States)

    Rutkowski, E.; Sampson, M. J.

    2015-01-01

    Copper wire bonds have replaced gold wire bonds in the majority of commercial semiconductor devices for the latest technology nodes. Although economics has been the driving mechanism to lower semiconductor packaging costs for a savings of about 20% by replacing gold wire bonds with copper, copper also has materials property advantages over gold. When compared to gold, copper has approximately: 25% lower electrical resistivity, 30% higher thermal conductivity, 75% higher tensile strength and 45% higher modulus of elasticity. Copper wire bonds on aluminum bond pads are also more mechanically robust over time and elevated temperature due to the slower intermetallic formation rate - approximately 1/100th that of the gold to aluminum intermetallic formation rate. However, there are significant tradeoffs with copper wire bonding - copper has twice the hardness of gold which results in a narrower bonding manufacturing process window and requires that the semiconductor companies design more mechanically rigid bonding pads to prevent cratering to both the bond pad and underlying chip structure. Furthermore, copper is significantly more prone to corrosion issues. The semiconductor packaging industry has responded to this corrosion concern by creating a palladium coated copper bonding wire, which is more corrosion resistant than pure copper bonding wire. Also, the selection of the device molding compound is critical because use of environmentally friendly green compounds can result in internal CTE (Coefficient of Thermal Expansion) mismatches with the copper wire bonds that can eventually lead to device failures during thermal cycling. Despite the difficult problems associated with the changeover to copper bonding wire, there are billions of copper wire bonded devices delivered annually to customers. It is noteworthy that Texas Instruments announced in October of 2014 that they are shipping microcircuits containing copper wire bonds for safety critical automotive applications

  14. Intermetallic Al-, Fe-, Co- and Ni-Based Thermal Barrier Coatings Prepared by Cold Spray for Applications on Low Heat Rejection Diesel Engines

    Science.gov (United States)

    Leshchinsky, E.; Sobiesiak, A.; Maev, R.

    2018-02-01

    Conventional thermal barrier coating (TBC) systems consist of a duplex structure with a metallic bond coat and a ceramic heat insulating topcoat. They possess the desired low thermal conductivity, but at the same time they are very brittle and sensitive to thermal shock and thermal cycling due to the inherently low coefficient of thermal expansion. Recent research activities are focused on the developing of multilayer TBC structures obtained using cold spraying and following annealing. Aluminum intermetallics have demonstrated thermal and mechanical properties that allow them to be used as the alternative TBC materials, while the intermetallic layers can be additionally optimized to achieve superior thermal physical properties. One example is the six layer TBC structure in which cold sprayed Al-based intermetallics are synthesized by annealing in nitrogen atmosphere. These multilayer coating systems demonstrated an improved thermal fatigue capability as compared to conventional ceramic TBC. The microstructures and properties of the coatings were characterized by SEM, EDS and mechanical tests to define the TBC material properties and intermetallic formation mechanisms.

  15. Effects of heat treatment on the intermetallic compounds and mechanical properties of the stainless steel 321-aluminum 1230 explosive-welding interface

    Science.gov (United States)

    Shiran, Mohammadreza Khanzadeh Gharah; Khalaj, Gholamreza; Pouraliakbar, Hesam; Jandaghi, Mohammadreza; Bakhtiari, Hamid; Shirazi, Masoud

    2017-11-01

    The effects of heat treatment on the microstructure and mechanical properties of intermetallic compounds in the interface of stainless steel 321 explosively bonded to aluminum 1230 were investigated in this study. Experimental investigations were performed by optical microscopy, scanning electron microscopy, and microhardness and shear tensile strength testing. Prior to heat treatment, increasing the stand-off distance between samples from 1 to 2.5 mm caused their interface to become wavy and the thickness of intermetallic layers to increase from 3.5 to 102.3 μm. The microhardness increased from HV 766 in the sample prepared at a stand-off distance of 1 mm to HV 927 in the sample prepared at a stand-off distance of 2.5 mm; in addition, the sample strength increased from 103.2 to 214.5 MPa. Heat treatment at 450°C for 6 h increased the thickness of intermetallic compound layers to 4.4 and 118.5 μm in the samples prepared at stand-off distances of 1 and 2.5 mm, respectively. These results indicated that increasing the duration and temperature of heat treatment decreased the microhardness and strength of the interface of explosively welded stainless steel 321-Al 1230 and increased the thickness of the intermetallic region.

  16. Transformation of iron containing constituent intermetallic particles during hydrothermal treatment

    DEFF Research Database (Denmark)

    Borgaonkar, Shruti; Din, Rameez Ud; Kasama, Takeshi

    2018-01-01

    Aluminium alloys AA3102 and AA9108 were treated with high temperature steam, which resulted in the formation of an oxide layer of average thickness of 300–400 nm. Hydrothermal steam treatment resulted in the removal or oxidation of Al (Fe) Mn and Al (Fe-Si) Mn type intermetallic particles present...... in the alloys. Furthermore, electron energy loss spectroscopy analysis revealed that the during the steam treatment, the Fe enriched areas of the Al (Fe-Si) Mn type intermetallic particles were transformed into Fe2O3 and Fe3O4 phases, while energy-dispersive X-ray spectroscopy line profile measurements...

  17. High temperature oxidation behavior of TiAl-based intermetallics

    International Nuclear Information System (INIS)

    Stroosnijder, M.F.; Sunderkoetter, J.D.; Haanappel, V.A.C.

    1996-01-01

    TiAl-based intermetallic compounds have attracted considerable interest as structural materials for high-temperature applications due to their low density and substantial mechanical strength at high temperatures. However, one major drawback hindering industrial application arises from the insufficient oxidation resistance at temperatures beyond 700 C. In the present contribution some general aspects of high temperature oxidation of TiAl-based intermetallics will be presented. This will be followed by a discussion of the influence of alloying elements, in particular niobium, and of the effect of nitrogen in the oxidizing environment on the high temperature oxidation behavior of such materials

  18. Crystal field in rare-earth metals and intermetallic compounds

    International Nuclear Information System (INIS)

    Ray, D.K.

    1978-01-01

    Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

  19. Reduced-Temperature Transient-Liquid-Phase Bonding of AluminaUsing a Ag-Cu-Based Brazing Alloy

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Sung Moo; Glaeser, Andreas M.

    2005-12-19

    The mechanical properties and microstructural evolution ofmetal-ceramic bonds produced using a transient liquid phase (TLP) aredescribed. Alumina (Al2O3) was joined at 500 degrees C, 600 degrees C,and 700 degrees C using a multilayer In/Cusil-ABA (R) (commercialcopper-silver eutectic brazing alloy)/In interlayer. The introduction ofthin In cladding layers allows the system to bond at much lowertemperatures than those typically used for brazing with Cusil-ABA (R),thereby protecting temperature-sensitive components. After chemicalhomogenization, the interlayers retain an operating temperature rangesimilar to that of the brazed joints. TLP bonds made at 500 degrees C,600 degrees C, and 700 degrees C with holding times ranging from as lowas 1.5 h to 24 h had average fracture strengths above 220 MPa. Theeffects of bonding temperature and time on fracture strength aredescribed. Preliminary analysis of the interlayers shows that the Ag-Inor Cu-In intermetallic phases do not form. Considerations unique tosystems with two-phase core layers are discussed. Experiments usingsingle-crystal sapphire indicate rapid formation of a reaction layer at700 degrees C, suggesting the possibility of making strong bonds usinglower temperatures and/or shorter processing times.

  20. Synthesis, shape control, and methanol electro-oxidation properties of Pt-Zn alloy and Pt3Zn intermetallic nanocrystals.

    Science.gov (United States)

    Kang, Yijin; Pyo, Jun Beom; Ye, Xingchen; Gordon, Thomas R; Murray, Christopher B

    2012-06-26

    We report the first synthesis of highly monodisperse Pt(3)Zn nanocrystals (NCs). Shape-controlled synthesis generates cubic and spherical Pt-Zn NCs. Reaction temperature is the key to incorporate Zn into Pt, even in the absence of a strong reducing agent. The Pt-Zn NCs are active toward methanol oxidation, with the spherical NCs exhibiting higher activity than the cubic NCs. The Pt-Zn alloy phase can be transformed into the Pt(3)Zn intermetallic phase, upon annealing. The intermetallic Pt(3)Zn shows better performance than the alloy phase Pt-Zn. Besides the activity toward methanol oxidation, Pt-Zn NCs show excellent poisoning tolerance. With activities comparable to the commercial Pt catalyst, enhanced poisoning tolerance and lower cost, Pt-Zn and Pt(3)Zn NCs are a promising new family of catalysts for direct methanol fuel cells.

  1. Growth of intermetallic compounds in the Au–In system: Experimental study and 1-D modelling

    International Nuclear Information System (INIS)

    Deillon, L.; Hessler, T.; Hessler-Wyser, A.; Rappaz, M.

    2014-01-01

    The gold–indium system is of primary interest for bonding processes such as solid–liquid interdiffusion bonding. In order to optimize the manufacturing parameters, it is essential to know which intermetallic compounds (IMCs) are formed when solid Au and liquid In are brought into close contact with each other, and what are their growth kinetics. For this purpose, we fabricated diffusion couples above and below the melting point of In (for T=250 and 150 °C respectively). Three IMCs, identified as AuIn 2 , AuIn and Au 7 In 3 , are always observed in the reaction zone, even after short times. AuIn 2 is the thickest and fastest growing layer and AuIn is only present as a thin layer. Whereas AuIn 2 and AuIn exhibit an equiaxed structure, Au 7 In 3 is found to grow as columnar grains. The diffusion coefficients in each phase were determined by means of a 1-D finite difference modelling of In diffusion. The values are consistent and can be used to predict the growth rate as a function of temperature and time, i.e. to simulate a whole bonding process with finite thicknesses

  2. Making Weak Bonds (cooling) and Breaking Strong Bonds (heating ...

    Indian Academy of Sciences (India)

    ... THE MOLECULES · Slide 34 · High Temperature Chemical Kinetics Laboratory today · Slide 36 · Ignition delay studies · CH emission and pressure rise to measure ignition delay! JP10 · Log vs 1/T plot · Arrhenius parameters for JP10 and JP10-TEA mixture · triethylamine · CONCLUSIONS · Thank you all for listening.

  3. SU-8-Induced Strong Bonding of Polymer Ligands to Flexible Substrates via in Situ Cross-Linked Reaction for Improved Surface Metallization and Fast Fabrication of High-Quality Flexible Circuits.

    Science.gov (United States)

    Hu, Mingjun; Guo, Qiuquan; Zhang, Tengyuan; Zhou, Shaolin; Yang, Jun

    2016-02-01

    On account of in situ cross-linked reaction of epoxy SU-8 with poly(4-vinylpyridine) (P4VP) and its strong reactive bonding ability with different pretreated substrates, we developed a simple universal one-step solution-based coating method for fast surface modification of various objects. Through this method, a layer of P4VP molecules with controllable thickness can be tethered tightly onto substrates with the assistance of SU-8. P4VP molecules possess a lot of pyridine ligands to immobilize transitional metal ions that can behave as the catalyst of electroless copper plating for surface metallization while functioning as the adhesion-promoting layer between the substrate and deposited metal. Attributed to interpenetrated entanglement of P4VP molecules and as-deposited metal, ultrathick (>7 μm) strongly adhesive high-quality copper layer can be formed on flexible substrates without any delamination. Then through laser printer to print toner mask, a variety of designed circuits can be easily fabricated on modified flexible PET substrate.

  4. Definition of a multicentral bond index

    International Nuclear Information System (INIS)

    Giambiagi, M.; Giambiagi, M.S. de; Mundim, K.C.

    1989-01-01

    The tensor character of the first-order density matrix leads to the definition of an MO multicentral bond index for closed-shell systems. It is here applied to three-center bonds. Satisfactory results are obtained for compounds involving 'secondary' bonds, strong and normal hydrogen bonds; the index for the peptide bond is found to be similar to that of strong hydrogen bonds. (author) [pt

  5. 111Cd PAC Study of Gd-Ni Intermetallic Compounds

    International Nuclear Information System (INIS)

    Presa, P. de la; Forker, M.

    2004-01-01

    This paper presents a perturbed angular correlation study of the magnetic and electric hyperfine interactions of 111 Cd on Gd sites of the Gd-Ni intermetallic compounds GdNi, GdNi 2 , GdNi 3 , Gd 2 Ni 7 , GdNi 5 and Gd 2 Ni 17 .

  6. Deformation mechanisms of D022 ordered intermetallic phase in superalloys

    International Nuclear Information System (INIS)

    Lv, D.C.; McAllister, D.; Mills, M.J.; Wang, Y.

    2016-01-01

    High-temperature alloys in general and superalloys in particular are strengthened by ordered intermetallic phases that are relatively stable at elevated temperatures. Because of their low symmetry, however, these ordered intermetallic phases have rather complicated deformation mechanisms that are difficult to uncover by experiment alone. In this study we use a combination of ab initio calculation and phase field simulation at the elementary defect level to illustrate how dislocations interact with precipitates of an ordered intermetallic phase, γ″ (D0 22 , tetragonal), the primary strengthening phase in Ni-Nb-Fe-Cr-Ti-Al-Mo alloy (Inconel 718 or IN718 superalloy). A rich variety of new and sophisticated deformation mechanisms are discovered, including a novel mechanism of dislocation generation (accompanied by a spontaneous stacking fault (SF) transition), formation of superlattice intrinsic SF ribbons (SISF-ribbons) and 1/3<112>-type compact super-dislocations, along with ISF shearing and Orowan looping. The predicted deformation microstructures seem to agree with recent electron microscopy observations in IN718. The detailed deformation mechanisms uncovered can be incorporated in constitutive microstructure-property relationships for advanced crystal plasticity modeling and the approach developed can be used to study plastic deformation of other intermetallic phases in different alloy systems.

  7. High-pressure structural stability of the ductile intermetallic ...

    Indian Academy of Sciences (India)

    Administrator

    Murnaghan equation of state fit to the pressure, volume data yielded a bulk modulus of 67∙6 GPa with the pressure derivative of bulk modulus fixed at 4. Keywords. Intermetallics; X-ray ... ners of the unit cell cube occupied by the 'M' element and cube centre occupied by the 'R' element. Although some ductility has been ...

  8. High-pressure structural stability of the ductile intermetallic ...

    Indian Academy of Sciences (India)

    Keywords. Intermetallics; X-ray diffraction; high pressure; synchrotron radiation. Abstract. High-pressure angle dispersive ... Author Affiliations. S Meenakshi1. High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India. Dates. Manuscript received: 10 July 2013 ...

  9. Lattice and magnetic anisotropies in uranium intermetallic compounds

    DEFF Research Database (Denmark)

    Havela, L.; Mašková, S.; Adamska, A.

    2013-01-01

    Examples of UNiAlD and UCoGe illustrate that the soft crystallographic direction coincides quite generally with the shortest U-U links in U intermetallics. Added to existing experimental evidence on U compounds it leads to a simple rule, that the easy magnetization direction and the soft crystall...

  10. Structural and electronic properties of non-magnetic intermetallic ...

    Indian Academy of Sciences (India)

    Abstract. The structural and electronic properties of non-magnetic intermetallic YAuX (X = Ge and Si) crys- tallized in hexagonal phase have been investigated using the full potential linearized augmented-plane wave (FP-. LAPW) method based on the density functional theory (DFT), within the generalized gradient ...

  11. Single crystal growth of europium and ytterbium based intermetallic ...

    Indian Academy of Sciences (India)

    Abstract. This article covers the use of indium as a potential metal solvent for the crystal growth of europium and ytterbium-based intermetallic compounds. A brief view about the advantage of metal flux technique and the use of indium as reactive and non-reactive flux are outlined. Large single crystals of EuGe2, EuCoGe3.

  12. Decomposition of intermetallics during high-energy ball-milling

    International Nuclear Information System (INIS)

    Kwon, Y.S.; Choi, P.P.; Kim, J.S.; Kwon, D.H.; Gerasimov, K.B.

    2007-01-01

    The decomposition behavior of FeSn, CoSn and CoIn 2 intermetallics under high-energy ball-milling has been investigated using X-ray diffraction, calorimetric and magnetization measurements. Upon milling a large amount of the FeSn intermetallic decomposes into Fe 5 Sn 3 and FeSn 2 , where the average grain size of the product phases stays nearly constant with milling-time. Similar observations are made for the CoSn intermetallic, which decomposes into Co 3 Sn 2 and Sn. It is suggested that the mechanically driven decomposition of FeSn and CoSn results from local melting of powder particles due to high temperature pulses during ball collisions. In contrast to FeSn and CoSn, CoIn 2 does not undergo decomposition upon milling. The different decomposition behaviors of the studied intermetallics may be attributed to the volume changes occurring with a decomposition process. Whereas a negative volume change is associated with the decomposition of FeSn and CoSn into their product phases, the decomposition of CoIn 2 leads to an increase in volume. Hence, high local stresses under ball collisions are expected to make the mechanically induced decomposition of FeSn and CoSn favorable but rather hinder the decomposition of CoIn 2

  13. Nanoscale grain growth behaviour of CoAl intermetallic synthesized ...

    Indian Academy of Sciences (India)

    Grain growth behaviour of the nanocrystalline CoAl intermetallic compound synthesized by mechanical alloying has been studied by isothermal annealing at different temperatures and durations. X-ray diffraction method was employed to investigate structural evolutions during mechanical alloying and annealing processes.

  14. Collision-Induced Dissociation Study of Strong Hydrogen-Bonded Cluster Ions Y-(HF) n (Y=F, O2) Using Atmospheric Pressure Corona Discharge Ionization Mass Spectrometry Combined with a HF Generator.

    Science.gov (United States)

    Sakamoto, Kenya; Sekimoto, Kanako; Takayama, Mitsuo

    2017-01-01

    Hydrogen fluoride (HF) was produced by a homemade HF generator in order to investigate the properties of strong hydrogen-bonded clusters such as (HF) n . The HF molecules were ionized in the form of complex ions associated with the negative core ions Y - produced by atmospheric pressure corona discharge ionization (APCDI). The use of APCDI in combination with the homemade HF generator led to the formation of negative-ion HF clusters Y - (HF) n (Y=F, O 2 ), where larger clusters with n ≥4 were not detected. The mechanisms for the formation of the HF, F - (HF) n , and O 2 - (HF) n species were discussed from the standpoints of the HF generator and APCDI MS. By performing energy-resolved collision-induced dissociation (CID) experiments on the cluster ions F - (HF) n ( n =1-3), the energies for the loss of HF from F - (HF) 3 , F - (HF) 2 , and F - (HF) were evaluated to be 1 eV or lower, 1 eV or higher, and 2 eV, respectively, on the basis of their center-of-mass energy ( E CM ). These E CM values were consistent with the values of 0.995, 1.308, and 2.048 eV, respectively, obtained by ab initio calculations. The stability of [O 2 (HF) n ] - ( n =1-4) was discussed on the basis of the bond lengths of O 2 H-F - (HF) n and O 2 - H-F(HF) n obtained by ab initio calculations. The calculations indicated that [O 2 (HF) 4 ] - separated into O 2 H and F - (HF) 3 .

  15. Low-Temperature Synthesis Routes to Intermetallic Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Schaak, Raymond E

    2008-01-08

    Over the past few years, our group has gained expertise at developing low-temperature solution-based synthetic pathways to complex nanoscale solids, with particular emphasis on nanocrystalline intermetallic compounds. Our synthetic capabilities are providing tools to reproducibly generate intermetallic nanostructures with simultaneous control over crystal structure, composition, and morphology. This DOE-funded project aims to expand these capabilities to intermetallic superconductors. This could represent an important addition to the tools that are available for the synthesis and processing of intermetallic superconductors, which traditionally utilize high-temperature, high-pressure, thin film, or gas-phase vacuum deposition methods. Our current knowledge of intermetallic superconductors suggests that significant enhancements could result from the inherent benefits of low-temperature solution synthesis, e.g. metastable phase formation, control over nanoscale morphology to facilitate size-dependent property studies, robust and inexpensive processability, low-temperature annealing and consolidation, and impurity incorporation (for doping, stoichiometry control, flux pinning, and improving the critical fields). Our focus is on understanding the superconducting properties as a function of synthetic route, crystal structure, crystallite size, and morphology, and developing the synthetic tools necessary to accomplish this. This research program can currently be divided into two classes of superconducting materials: intermetallics (transition metal/post transition metal) and metal carbides/borides. Both involve the development and exploitation of low-temperature synthesis routes followed by detailed characterization of structures and properties, with the goal of understanding how the synthetic pathways influence key superconducting properties of selected target materials. Because of the low-temperature methods used to synthesize them and the nanocrystalline morphologies

  16. Influence of Al grain boundaries segregations and La-doping on embrittlement of intermetallic NiAl

    Science.gov (United States)

    Kovalev, Anatoly I.; Wainstein, Dmitry L.; Rashkovskiy, Alexander Yu.

    2015-11-01

    The microscopic nature of intergranular fracture of NiAl was experimentally investigated by the set of electron spectroscopy techniques. The paper demonstrates that embrittlement of NiAl intermetallic compound is caused by ordering of atomic structure that leads to formation of structural aluminum segregations at grain boundaries (GB). Such segregations contain high number of brittle covalent interatomic bonds. The alloying by La increases the ductility of material avoiding Al GB enrichment and disordering GB atomic structure. The influence of La alloying on NiAl mechanical properties was investigated. GB chemical composition, atomic and electronic structure transformations after La doping were investigated by AES, XPS and EELFS techniques. To qualify the interatomic bonds metallicity the Fermi level (EF) position and electrons density (neff) in conduction band were determined in both undoped and doped NiAl. Basing on experimental results the physical model of GB brittleness formation was proposed.

  17. Effect of grain refiner on intermetallic phase formation in directional solidification of 6xxx series wrought Al alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sha, G.; O' Reilly, K.; Cantor, B. [Oxford Univ. (United Kingdom). Centre for Adv. Mat. and Composites; Hamerton, R.; Worth, J.

    2000-07-01

    The effect of a grain refiner on the formation of intermetallic phases in a directionally solidified (Bridgman grown) model 6xxx series wrought Al alloy has been investigated using X-ray diffractometry (XRD), transmission electron microscopy (TEM) and differential scanning calorimetry (DSC). A base alloy with and without Al-Ti-B grain refiner was directionally solidified in a Bridgman furnace at growth velocities in the range of 5-120 mm/min. In both cases, the Fe-containing intermetallic phases present were found to be mainly {alpha}-AlFeSi and {beta}-AlFeSi. However, in the alloy with grain refiner solidified at 5mm/min, Al{sub 13}Fe{sub 4} was also observed. Quantitative XRD results indicated that the addition of Al-Ti-B grain refiner has a strong influence on the relative quantities of intermetallic phases forming during solidification at different growth velocities, which was also confirmed by TEM observations. TEM observations also show that depending on where the {beta}-AlFeSi particles solidified e.g. grain boundaries or triple grain junctions, the size and morphology of the particles may change dramatically. TiB{sub 2} particles were observed to nucleate {beta}-AlFeSi at low and high growth velocities in the 6xxx series Al alloys. (orig.)

  18. Topology of Intermetallic Structures: From Statistics to Rational Design.

    Science.gov (United States)

    Akhmetshina, Tatiana G; Blatov, Vladislav A; Proserpio, Davide M; Shevchenko, Alexander P

    2018-01-16

    More than 38 000 substances made only of metal atoms are collected in modern structural databases; we may call them intermetallic compounds. They have important industrial applications, and yet they are terra incognita for most of our undergraduate students. Their structural complexity and synthesis are not easily adaptable to first years laboratories, keeping them away from the standard curricula. They have been described over the years following alternative and complementary views such as coordination polyhedra, atomic layers, and polyatomic clusters. All of these descriptions, albeit relying on grounded principles, have been applied on a subjective basis and never implemented as a strict computational algorithm. Sometimes, the authors generated multiple views of the same structure reported with beautifully drawn figures and/or photos of hand-crafted models in seminal works of the precomputer age. With the use of our multipurpose crystallochemical program package ToposPro, we explored the structural chemistry of intermetallics with objective and reproducible topological methods that allow us to reconcile different structure descriptions. After computing the connectivity patterns between the metal atoms on the basis of Voronoi partitioning of the crystal space, we were able to group the 38 000 intermetallic compounds into 3700 sets of crystal structures with the same topology of atomic net. We have described the different views used in the literature and shown that 12-vertex polyhedra are the most frequent (33%) and that almost half of them are icosahedron-like (46%), followed by cuboctahedron (25%) and, unexpectedly, by bicapped pentagonal prism (13%). Looking for layers, we have found that the hexagonal lattice, which corresponds to the closest packing of spheres on a plane, exists in more than 11 000 crystal structures, confirming the close-packed nature of intermetallics. We have also applied the nanocluster approach, which goes beyond the first

  19. Intermetallic Strengthened Alumina-Forming Austenitic Steels for Energy Applications

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Bin [Dartmouth College, Hanover, NH (United States); Baker, Ian [Dartmouth College, Hanover, NH (United States)

    2016-03-31

    In order to achieve energy conversion efficiencies of >50 % for steam turbines/boilers in power generation systems, the materials required must be strong, corrosion-resistant at high temperatures (>700°C), and economically viable. Austenitic steels strengthened with Laves phase and L12 precipitates, and alloyed with aluminum to improve oxidation resistance, are potential candidate materials for these applications. The creep resistance of these alloys is significantly improved through intermetallic strengthening (Laves-Fe2Nb + L12-Ni3Al precipitates) without harmful effects on oxidation resistance. Microstructural and microchemical analyses of the recently developed alumina-forming austenitic (AFA) steels (Fe-14Cr-32Ni-3Nb-3Al-2Ti-based) indicated they are strengthened by Ni3Al(Ti) L12, NiAl B2, Fe2Nb Laves phase and MC carbide precipitates. Different thermomechanical treatments (TMTs) were performed on these stainless steels in an attempt to further improve their mechanical properties. The thermo-mechanical processing produced nanocrystalline grains in AFA alloys and dramatically increased their yield strength at room temperature. Unfortunately, the TMTs didn’t increase the yield strengths of AFA alloys at ≥700ºC. At these temperatures, dislocation climb is the dominant mechanism for deformation of TMT alloys according to strain rate jump tests. After the characterization of aged AFA alloys, we found that the largest strengthening effect from L12 precipitates can be obtained by aging for less than 24 h. The coarsening behavior of the L12 precipitates was not influenced by carbon and boron additions. Failure analysis and post-mortem TEM analysis were performed to study the creep failure mechanisms of these AFA steels after creep tests. Though the Laves and B2-NiAl phase precipitated along the boundaries can improve the creep properties, cracks were

  20. Transformations of intermetallic compounds in Zr alloys at room temperature

    International Nuclear Information System (INIS)

    Filippov, V.P.; Shikanova, Yu.A.

    2004-01-01

    The formation of intermetallic compound Zr 3 Fe is shown to take place in a quaternary Zr-Fe-Sn-Cr alloy on long-term holding at room temperature. Alloys of Zr-1.0% Fe-1.27% Sn-0.51% Cr are melted in an arc furnace, quenched, hot and cold rolled. Final heat treatment is performed at 873 K for 3 h. It is assumed that the formation of intermetallic particles at low temperature is due to rearrangement of pre-precipitate structure by way of iron atom transitions at small distances. No noticeable change is found out in values of quadrupole splitting and isomer shift of Zr(Fe , Cr) 2 particles after a two-year holding at room temperature [ru

  1. Welding technology of the intermetallic Fe3 Al phase

    Directory of Open Access Journals (Sweden)

    K. Garbala

    2010-01-01

    Full Text Available This paper presents the analyses of the welding terms and estimation of the welded joints quality for intermetallic Fe3Al. Materials, on the base which, joints were made and some welding technologies has been examined. Results of that investigations let one to type welding methods and materials that gives the best physicochemical effects of the joints. Regarding to the specific properties of the welded material especially its quite high hardness and fragility, it has been proposed that when joining intermetallic Fe3Al advisable would be welding in an argon cover with using Es9CrNiB electrode optionally electrowelding with Es 9CrNiB electrode. Welds made that way are thought to have the best properties within methods and welding materials being tested.

  2. Anisotropic spreading of liquid metal on a rough intermetallic surface

    Directory of Open Access Journals (Sweden)

    Liu Wen

    2011-01-01

    Full Text Available An anisotropic wicking of molten Sn-Pb solder over an intermetallic rough surface has been studied. The phenomenon features preferential spreading and forming of an elliptical spread domain. A theoretically formulated model was established to predict the ratio of the wicking distance along the long axis (rx to that along the short axis (ry of the final wicking pattern. The phenomenon was simultaneously experimentally observed and recorded with a hotstage microscopy technique. The anisotropic wicking is established to be caused by a non-uniform topography of surface micro structures as opposed to an isotropic wicking on an intermetallic surface with uniformly distributed surface micro features. The relative deviation between the theoretically predicted rx/ry ratio and the corresponding average experimental value is 5%. Hence, the small margin of error confirms the validity of the proposed theoretical model of anisotropic wicking.

  3. Theoretical energy release of thermites, intermetallics, and combustible metals

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, S.H.; Grubelich, M.C.

    1998-06-01

    Thermite (metal oxide) mixtures, intermetallic reactants, and metal fuels have long been used in pyrotechnic applications. Advantages of these systems typically include high energy density, impact insensitivity, high combustion temperature, and a wide range of gas production. They generally exhibit high temperature stability, and possess insensitive ignition properties. In this paper, the authors review the applications, benefits, and characteristics of thermite mixtures, intermetallic reactants, and metal fuels. Calculated values for reactant density, heat of reaction (per unit mass and per unit volume), and reaction temperature (without and with consideration of phase changes and the variation of specific heat values) are tabulated. These data are ranked in several ways, according to density, heat of reaction, reaction temperature, and gas production.

  4. Fundamentals of fiber bonding in thermally point-bonded nonwovens

    Science.gov (United States)

    Chidambaram, Aparna

    Thermal point bonding (TPB) uses heat and pressure to bond a web of fibers at discrete points imparting strength to the manufactured fabric. This process significantly reduces the strength and elongation of the bridging fibers between bond points while strengthening the web. Single fiber experiments were performed with four structurally different polypropylene fibers to analyze the inter-relationships between fiber structure, fiber properties and bonding process. Two fiber types had a low birefringence sheath or surface layer while the remaining had uniform birefringence profiles through their thickness. Bonds were formed between isolated pairs of fibers by subjecting the fibers to a calendering process and simulating TPB process conditions. The dependence of bond strength on bonding temperature and on the type of fiber used was evaluated. Fiber strengths before and after bonding were measured and compared to understand the effect of bonding on fiber strength. Additionally, bonded fiber strength was compared to the strength of single fibers which had experienced the same process conditions as the bonded pairs. This comparison estimated the effect of mechanical damage from pressing fibers together with steel rolls while creating bonds in TPB. Interfiber bond strength increased with bonding temperature for all fiber types. Fiber strength decreased with increasing bonding temperature for all fiber types except for one type of low birefringent sheath fibers. Fiber strength degradation was unavoidable at temperatures required for successful bonding. Mechanical damage from compression of fibers between rolls was an insignificant factor in this strength loss. Thermal damage during bonding was the sole significant contributor to fiber strength degradation. Fibers with low birefringence skins formed strong bonds with minimal fiber strength loss and were superior to fibers without such surface layers in TPB performance. A simple model to predict the behavior of a two-bond

  5. Welding technology of the intermetallic Fe3 Al phase

    OpenAIRE

    K. Garbala; A. Patejuk

    2010-01-01

    This paper presents the analyses of the welding terms and estimation of the welded joints quality for intermetallic Fe3Al. Materials, on the base which, joints were made and some welding technologies has been examined. Results of that investigations let one to type welding methods and materials that gives the best physicochemical effects of the joints. Regarding to the specific properties of the welded material especially its quite high hardness and fragility, it has been proposed that when j...

  6. Micromechanisms and Micromechanics of Fracture of TiAl Intermetallics

    Czech Academy of Sciences Publication Activity Database

    Dlouhý, Ivo; Chlup, Zdeněk; Hadraba, Hynek; Krahula, Karel

    2009-01-01

    Roč. 31, č. 1 (2009), s. 81-96 ISSN 1024-1809 R&D Projects: GA ČR GA106/07/0762; GA ČR GD106/05/H008 Institutional research plan: CEZ:AV0Z20410507 Keywords : fracture toughness * micromechanisms of fracture * dhear ligament toughening * TiAl * intermetallics Subject RIV: JG - Metallurgy Impact factor: 0.089, year: 2009

  7. Electronic structure and properties of rare earth and actinide intermetallics

    International Nuclear Information System (INIS)

    Kirchmayr, H.R.

    1984-01-01

    There are 188 contributions, experimental and theoretical, a few on rare earth and actinide elements but mostly on rare earth and actinide intermetallic compounds and alloys. The properties dealt with include 1) crystal structure, 2) magnetic properties and magnetic structure, 3) magnetic phase transformations and valence fluctuations, 4) electrical properties and superconductivity and their temperature, pressure and magnetic field dependence. A few papers deal with crystal growth and novel measuring methods. (G.Q.)

  8. Production of nanograined intermetallics using high-pressure torsion

    Energy Technology Data Exchange (ETDEWEB)

    Alhamidi, Ali; Edalati, Kaveh; Horita, Zenji, E-mail: horita@zaiko.kyushu-u.ac.jp [Department of Materials Science and Engineering, Faculty of Engineering, Kyushu University, Fukuoka (Japan)

    2013-11-01

    Formation of intermetallics is generally feasible at high temperatures when the lattice diffusion is fast enough to form the ordered phases. This study shows that nanograined intermetallics are formed at a low temperature as 573 K in Al- 25 mol% Ni, Al- 50 mol.% Ni and Al- 50 mol% Ti powder mixtures through powder consolidation using high-pressure torsion (HPT). For the three compositions, the hardness gradually increases with straining but saturates to the levels as high as 550-920 Hv. In addition to the high hardness, the TiAl material exhibits high yield strength as {approx}3 GPa with good ductility as {approx}23%, when they are examined by micropillar compression tests. X-ray diffraction analysis and high-resolution transmission electron microscopy reveal that the significant increase in hardness and strength is due to the formation of nanograined intermetallics such as Al{sub 3}Ni, Al{sub 3}Ni{sub 2}, TiAl{sub 3}, TiAl{sub 2} and TiAl with average grain sizes of 20-40 nm (author)

  9. Laves intermetallics in stainless steel-zirconium alloys

    International Nuclear Information System (INIS)

    Abraham, D.P.; McDeavitt, S.M.; Richardson, J.W. Jr.

    1997-01-01

    Laves intermetallics have a significant effect on properties of metal waste forms being developed at Argonne National Laboratory. These waste forms are stainless steel-zirconium alloys that will contain radioactive metal isotopes isolated from spent nuclear fuel by electrometallurgical treatment. The baseline waste form composition for stainless steel-clad fuels is stainless steel-15 wt.% zirconium (SS-15Zr). This article presents results of neutron diffraction measurements, heat-treatment studies and mechanical testing on SS-15Zr alloys. The Laves intermetallics in these alloys, labeled Zr(Fe,Cr,Ni) 2+x , have both C36 and C15 crystal structures. A fraction of these intermetallics transform into (Fe,Cr,Ni) 23 Zr 6 during high-temperature annealing; the authors have proposed a mechanism for this transformation. The SS-15Zr alloys show virtually no elongation in uniaxial tension, but exhibit good strength and ductility in compression tests. This article also presents neutron diffraction and microstructural data for a stainless steel-42 wt.% zirconium (SS-42Zr) alloy

  10. Diffusion kinetics in aluminium–gold bond contacts from first-principles density functional calculations

    Czech Academy of Sciences Publication Activity Database

    Ulrich, C. M.; Hashibon, A.; Svoboda, Jiří; Elsässer, C.; Helm, D.; Riedel, H.

    2011-01-01

    Roč. 59, č. 20 (2011), s. 7634-7644 ISSN 1359-6454 R&D Projects: GA ČR GAP204/10/1784 Institutional research plan: CEZ:AV0Z20410507 Keywords : Bonding * Diffusion * Intermetallic compounds Subject RIV: BJ - Thermodynamics Impact factor: 3.755, year: 2011

  11. Rare earth intermetallic compounds produced by a reduction-diffusion process

    International Nuclear Information System (INIS)

    Cech, R.E.

    1975-01-01

    A reduction-diffusion process is given for producing novel rare earth intermetallic compounds, such as cobalt--rare earth intermetallic compounds, especially compounds useful in preparing permanent magnets. A particulate mixture of rare earth metal halide, cobalt and calcium hydride is heated to effect reduction of the rare earth metal halide and to diffuse the resulting rare earth metal into the cobalt to form the intermetallic compound

  12. Niobium-Based Intermetallics for Affordable In-Space Propulsion Applications, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR Phase I effort proposes an innovative class of refractory metal intermetallic composites as alternatives to high temperature metallic materials presently...

  13. Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes

    Science.gov (United States)

    Raschka, Sebastian; Wolf, Alex J.; Bemister-Buffington, Joseph; Kuhn, Leslie A.

    2018-02-01

    Understanding how proteins encode ligand specificity is fascinating and similar in importance to deciphering the genetic code. For protein-ligand recognition, the combination of an almost infinite variety of interfacial shapes and patterns of chemical groups makes the problem especially challenging. Here we analyze data across non-homologous proteins in complex with small biological ligands to address observations made in our inhibitor discovery projects: that proteins favor donating H-bonds to ligands and avoid using groups with both H-bond donor and acceptor capacity. The resulting clear and significant chemical group matching preferences elucidate the code for protein-native ligand binding, similar to the dominant patterns found in nucleic acid base-pairing. On average, 90% of the keto and carboxylate oxygens occurring in the biological ligands formed direct H-bonds to the protein. A two-fold preference was found for protein atoms to act as H-bond donors and ligand atoms to act as acceptors, and 76% of all intermolecular H-bonds involved an amine donor. Together, the tight chemical and geometric constraints associated with satisfying donor groups generate a hydrogen-bonding lock that can be matched only by ligands bearing the right acceptor-rich key. Measuring an index of H-bond preference based on the observed chemical trends proved sufficient to predict other protein-ligand complexes and can be used to guide molecular design. The resulting Hbind and Protein Recognition Index software packages are being made available for rigorously defining intermolecular H-bonds and measuring the extent to which H-bonding patterns in a given complex match the preference key.

  14. Wearout Reliability and Intermetallic Compound Diffusion Kinetics of Au and PdCu Wires Used in Nanoscale Device Packaging

    Directory of Open Access Journals (Sweden)

    C. L. Gan

    2013-01-01

    Full Text Available Wearout reliability and diffusion kinetics of Au and Pd-coated Cu (PdCu ball bonds are useful technical information for Cu wire deployment in nanoscale semiconductor device packaging. This paper discusses the HAST (with bias and UHAST (unbiased HAST wearout reliability performance of Au and PdCu wires used in fine pitch BGA packages. In-depth failure analysis has been carried out to identify the failure mechanism under various wearout conditions. Intermetallic compound (IMC diffusion constants and apparent activation energies (Eaa of both wire types were investigated after high temperature storage life test (HTSL. Au bonds were identified to have faster IMC formation, compared to slower IMC growth of PdCu. PdCu wire was found to exhibit equivalent or better wearout reliability margin compared to conventional Au wire bonds. Failure mechanisms of Au, Cu ball bonds post-HAST and UHAST tests are been proposed, and both Au and PdCu IMC diffusion kinetics and their characteristics are discussed in this paper.

  15. Negative thermal expansion induced by intermetallic charge transfer.

    Science.gov (United States)

    Azuma, Masaki; Oka, Kengo; Nabetani, Koichiro

    2015-06-01

    Suppression of thermal expansion is of great importance for industry. Negative thermal expansion (NTE) materials which shrink on heating and expand on cooling are therefore attracting keen attention. Here we provide a brief overview of NTE induced by intermetallic charge transfer in A-site ordered double perovskites SaCu 3 Fe 4 O 12 and LaCu 3 Fe 4- x Mn x O 12 , as well as in Bi or Ni substituted BiNiO 3 . The last compound shows a colossal dilatometric linear thermal expansion coefficient exceeding -70 × 10 -6 K -1 near room temperature, in the temperature range which can be controlled by substitution.

  16. NMR and domain wall mobility in intermetallic compounds

    International Nuclear Information System (INIS)

    Guimaraes, A.P.; Sampaio, L.C.; Cunha, S.F.; Alves, K.M.B.

    1991-01-01

    The technique of pulsed NMR can be used to study the distribution of hyperfine fields in a magnetic matrix. The dynamics of the domain walls are relevant to the generation of NMR signals. In the present study on the (R x Y 1-x ) Fe 2 intermetallic compounds, the reduction in the signals is associated to increased propagation fields. This indicates that a smaller domain wall mobility is at the origin of these effects. NMR spectra in this system show the importance of direct and indirect (i.e., mediated by Fe atoms) terms in the transferred hyperfine field. (author)

  17. Study of Intermetallic Nanostructures for Light-Water Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Niels Grobech [Univ. of California, Davis, CA (United States); Asta, Mark D. [Univ. of California, Berkeley, CA (United States); Hosemann, Peter [Univ. of California, Berkeley, CA (United States); Maloy, Stuart [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-09-30

    High temperature mechanical measurements were conducted to study the effect of the dynamic precipitation process of PH 13-8 Mo maraging steel. Yield stress, ultimate tensile strength, total elongation, hardness, strain rate sensitivity and activation volume were evaluated as a function of the temperature. The dynamic changes in the mechanical properties at different temperatures were evaluated and a balance between precipitation hardening and annealed softening is discussed. A comparison between hardness and yield stress and ultimate tensile strength over a temperature range from 300 to 600 °C is made. The behavior of the strain rate sensitivity was correlated with the intermetallic precipitates formed during the experiments.

  18. Electronic structure and transport properties of intermetallics. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Freeman, A.J.; Ellis, D.E.; Welsh, L.B.

    1975-12-01

    The electronic interactions responsible for the unusual properties of several important classes of materials (including the highly anisotropic layered dichalcogenides, and network and cage structure materials and pseudobinary alloys) have been investigated experimentally and theoretically. The unique ability of NMR to probe the local electronic properties of the various constituents of an intermetallic compound or alloy has provided important new information including correlations with observed changes in superconducting transition temperatures. Novel theoretical models (including relativistic effects) are found to yield energy band structures, Fermi surfaces, transport properties, charge and spin densities, generalized magnetic susceptibilities, and optical properties in very good agreement with experimental determinations of these observable phenomena. (Author) (GRA)

  19. Negative thermal expansion induced by intermetallic charge transfer

    OpenAIRE

    Azuma, Masaki; Oka, Kengo; Nabetani, Koichiro

    2015-01-01

    Suppression of thermal expansion is of great importance for industry. Negative thermal expansion (NTE) materials which shrink on heating and expand on cooling are therefore attracting keen attention. Here we provide a brief overview of NTE induced by intermetallic charge transfer in A-site ordered double perovskites SaCu3Fe4O12 and LaCu3Fe4?x Mn x O12, as well as in Bi or Ni substituted BiNiO3. The last compound shows a colossal dilatometric linear thermal expansion coefficient exceeding ?70 ...

  20. Interpretation of atom probe tomography data for the intermetallic TiAl+Nb by means of field evaporation simulation

    KAUST Repository

    Boll, Torben

    2013-01-01

    In this paper simulations of the field evaporation process during field ion microscopy (FIM) and atom probe tomography (APT) are presented and compared with experimental data. The Müller-Schottky-model [1] was extended to include the local atomic arrangement on the evaporation process of atoms. This arrangement was described by the sum of the next-neighbor-binding-energies, which differ for an atom of type A, depending on how many A-A, B-B or A-B bonds are present. Thus simulations of APT-data of intermetallic phases become feasible. In this study simulations of L10-TiAl with additions of Nb are compared with experimental data. Certain artifacts, which appear for experimental data are treated as well. © 2012 Elsevier B.V.

  1. Investigation Of Intermetallic Compounds In Sn-Cu-Ni Lead-Free Solders

    Directory of Open Access Journals (Sweden)

    Nagy E.

    2015-06-01

    Full Text Available Interfacial intermetallic compounds (IMC play an important role in Sn-Cu lead-free soldering. The size and morphology of the intermetallic compounds formed between the lead-free solder and the Cu substrate have a significant effect on the mechanical strength of the solder joint.

  2. A survey of combustible metals, thermites, and intermetallics for pyrotechnic applications

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, S.H.; Grubelich, M.C.

    1996-08-01

    Thermite mixtures, intermetallic reactants, and metal fuels have long been used in pyrotechnics. Advantages include high energy density, impact insensitivity, high combustion temperature, and a wide range of gas production. They generally exhibit high temperature stability and possess insensitive ignition properties. This paper reviews the applications, benefits, and characteristics of thermite mixtures, intermetallic reactants, and metal fuels. 50 refs, tables.

  3. Parental Bonding

    Directory of Open Access Journals (Sweden)

    T. Paul de Cock

    2014-08-01

    Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.

  4. First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Sardar [Center for Computational Materials Science, University of Malakand, Chakdara, 18800 Pakistan (Pakistan); Department of Chemistry, University of Malakand, Chakdara, 18800 Pakistan (Pakistan); Ahmad, Rashid, E-mail: rashmad@gmail.com [Center for Computational Materials Science, University of Malakand, Chakdara, 18800 Pakistan (Pakistan); Department of Chemistry, University of Malakand, Chakdara, 18800 Pakistan (Pakistan); Jalali-Asadabadi, S. [Department of Physics, Faculty of Sciences, University of Isfahan (UI), Hezar Gerib Avenue, Isfahan 81746-73441 (Iran, Islamic Republic of); Ali, Zahid [Center for Computational Materials Science, University of Malakand, Chakdara, 18800 Pakistan (Pakistan); Department of Physics, University of Malakand, Chakdara, 18800 Pakistan (Pakistan); Ahmad, Iftikhar [Center for Computational Materials Science, University of Malakand, Chakdara, 18800 Pakistan (Pakistan); Vice Chancellor, Abbott Abad University of Science and Technology, Abbott Abad (Pakistan)

    2017-01-15

    In this article we explore the electronic and magnetic properties of RAu intermetallics (R=Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu) for the first time. These properties are calculated by using GGA, GGA+U and hybrid density functional theory (HF) approaches. Our calculations show that HF provides superior results, consistent to the experimentally reported data. The chemical bonding between rare-earth and gold atoms within these compounds are explained on the basis of spin dependent electronic clouds in different planes, which shows predominantly ionic and metallic nature between Au and R atoms. The Cohesive energies of RAu compounds show direct relation with the melting points. Spin-dependent electronic band structure demonstrates that all these compounds are metallic in nature. The magnetic studies show that HoAu and LuAu are stable in non-magnetic structure, PrAu is stable in ferromagnetic phase and CeAu, NdAu, SmAu, GdAu, TbAu, DyAu, ErAu, TmAu, YbAu are anti-ferromagnetic materials.

  5. Effect of Reflow Profile on Intermetallic Compound Formation

    International Nuclear Information System (INIS)

    Aisha, I Siti Rabiatull; Ourdjini, A; Hanim, M A Azmah; Azlina, O Saliza

    2013-01-01

    Reflow soldering in a nitrogen atmosphere is a common process consideration in surface mount technology assembly. This is because the use of nitrogen in reflow equipment may benefit the process as well as the quality of the end product, where it can increase the reliability of the solder joint. So far, many papers have reported effects of cooling speed, type of solder pastes and solder fluxes on the reliability of lead-free solder joints. While the effects of reflow conditions on intermetallic compound (IMC) formation at the solder joint such as the atmosphere during the reflow process are still unclear. The present study investigated thoroughly the effect of different reflow soldering atmosphere, which is air and nitrogen on IMC formation and growth. Several techniques of materials characterization including optical, image analysis, scanning electron microscopy and energy dispersive X-ray analysis will be used to characterise the intermetallics in terms of composition, thickness and morphology. In addition, the effects of cooling rate and isothermal aging were also studied for the solder alloy Sn–4Ag–0.5Cu on electroless nickel/immersion gold (ENIG) surface finish. From the study, it was found that reflowing under nitrogen atmosphere had better effect on IMC formation and growth compared to reflowing under air. Besides, the cooling rate of solder during reflow also appears to have a significant effect on the final structure of the solder joint, and controlling the growth behaviour of the IMC during subsequent isothermal aging.

  6. Theoretical Energy Release of Thermites, Intermetallics, and Combustible Metals

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, S.H.; Grubelich, M.C.

    1999-05-14

    Thermite mixtures, intermetallic reactants, and metal fuels have long been used in pyrotechnic applications. Advantages of these systems typically include high energy density, high combustion temperature, and a wide range of gas production. They generally exhibit high temperature stability and possess insensitive ignition properties. For the specific applications of humanitarian demining and disposal of unexploded ordnance, these pyrotechnic formulations offer additional benefits. The combination of high thermal input with low brisance can be used to neutralize the energetic materials in mines and other ordnance without the "explosive" high-blast-pressure events that can cause extensive collateral damage to personnel, facilities, and the environment. In this paper, we review the applications, benefits, and characteristics of thermite mixtures, intermetallic reactants, and metal fuels. Calculated values for reactant density, heat of reaction (per unit mass and per unit volume), and reaction temperature (without and with consideration of phase changes and the variation of specific heat values) are tabulated. These data are ranked in several ways, according to density, heat of reaction, reaction temperature, and gas production.

  7. Effect of iodine on the corrosion of Au-Al wire bonds

    DEFF Research Database (Denmark)

    Verdingovas, Vadimas; Müller, Lutz; Jellesen, Morten Stendahl

    2015-01-01

    , and electrochemical testing were used to characterize the samples. Failures of Au-Al wire bonds were found to be primarily attributed to the corrosion of Al via formation of Al iodides and consequent formation of Al oxides and/or hydroxides. Most susceptible to corrosion are Al metallization and Al rich intermetallic......Corrosion study was performed on Au-Al wire bonds, thin layers of sputter deposited Au and Al, and Au-Al intermetallic nuggets. The test environment was iodine-vapour in air (1. mg/L) at 85 °C with varying relative humidity, and 500 mg/L of KI in water. GDOES, XRD, SEM EDS, wire bond shear...

  8. Liquid Metal Phagocytosis: Intermetallic Wetting Induced Particle Internalization.

    Science.gov (United States)

    Tang, Jianbo; Zhao, Xi; Li, Jing; Zhou, Yuan; Liu, Jing

    2017-05-01

    A biomimetic cellular-eating phenomenon in gallium-based liquid metal to realize particle internalization in full-pH-range solutions is reported. The effect, which is called liquid metal phagocytosis, represents a wet-processing strategy to prepare various metallic liquid metal-particle mixtures through introducing excitations such as an electrical polarization, a dissolving medium, or a sacrificial metal. A nonwetting-to-wetting transition resulting from surface transition and the reactive nature of the intermetallic wetting between the two metallic phases are found to be primarily responsible for such particle-eating behavior. Theoretical study brings forward a physical picture to the problem, together with a generalized interpretation. The model developed here, which uses the macroscopic contact angle between the two metallic phases as a criterion to predict the particle internalization behavior, shows good consistency with experimental results.

  9. Ethylene hydrogenation over catalysts formed by oxidation of intermetallic compounds

    International Nuclear Information System (INIS)

    Imamura, H.; Wallace, W.E.

    1980-01-01

    The intermetallic compounds (LaNi 5 , CeNi 5 , PrNi 5 , ThNi 5 , ThFe 5 , and ThCo 5 ) readily react with oxygen. Examination of the oxidized materials by using x-ray diffraction showed that they consisted of a mixture of transition metal and rare earth oxide (or ThO 2 ). The transition metals exhibited particle sizes ranging from 90 to 350A, as estimated by x-ray diffraction line broadening. These mixtures exhibited high catalytic activity for the hydrogenation of ethylene compared to oxide-supported catalysts prepared by the conventional impregnation method, with turnover frequencies higher for the former materials by an order of magnitude. The oxidation process is a novel means of producing very active supported catalysts

  10. Theory of Valence Transitions in Ytterbium and Europium Intermetallics

    International Nuclear Information System (INIS)

    Zlatic, V.; Freericks, J.K.

    2001-01-01

    The exact solution of the multi-component Falicov-Kimball model in infinite-dimensions is presented and used to discuss a new fixed point of valence fluctuating intermetallics with Yb and Eu ions. In these compounds, temperature, external magnetic field, pressure, or chemical pressure induce a transition between a metallic state with the f-ions in a mixed-valent (non-magnetic) configuration and a semi-metallic state with the f-ions in an integral-valence (paramagnetic) configuration. The zero-field transition occurs at the temperature T V , while the zero-temperature transition sets in at the critical field H c . We present the thermodynamic and dynamic properties of the model for an arbitrary concentration of d- and f -electrons. For large U, we find a MI transition, triggered by the temperature or field- induced change in the f-occupancy. (author)

  11. Effect of Flux onto Intermetallic Compound Formation and Growth

    Directory of Open Access Journals (Sweden)

    Idris Siti Rabiatull Aisha

    2016-01-01

    Full Text Available In this study, the effect of different composition of no-clean flux onto intermetallic compound (IMC formation and growth was investigated. The solder joint between Sn-3Ag-0.5Cu solder alloy and printed circuit board (PCB was made through reflow soldering. They were further aged at 125°C and 150°C for up to 1000 hours. Results showed that fluxes significantly affect the IMC thickness and growth. In addition, during aging, the scallop and columnar morphology of IMC changed to a more planar type for both type of flux during isothermal aging. It was observed that the growth behavior of IMC was closely related to initial soldering condition.

  12. Wear deformation of ordered Fe-Al intermetallic alloys

    Energy Technology Data Exchange (ETDEWEB)

    Maupin, H.E. (US Bureau of Mines, Albany Research Center, OR (United States)); Wilson, R.D. (US Bureau of Mines, Albany Research Center, OR (United States)); Hawk, J.A. (US Bureau of Mines, Albany Research Center, OR (United States))

    1993-04-13

    The Bureau of Mines conducted abrasive wear research on DO[sub 3] ordered and disordered Fe[sub 3]Al intermetallics. The effect of abrasion on these alloys was studied through mixroscopy, X-ray diffraction and hardness measurements. The region near the wear surface undergoes dynamic recrystallization, i.e. the original microstructural morphology of micron-size grains is replaced by one with nanosize grains. Abrasion of the Fe[sub 3]Al alloys also results in a loss of the DO[sub 3] ordering in the wear surface region. The bulk temperature rise of the specimen during abrasion was approximately 28 C which is insufficient to cause recrystallization in these alloys. Therefore, the flash temperature due to interface frictional heating is considered more important than the bulk temperature when considering dynamic recrystallization as the transformation mechanism in the near wear surface region. (orig.)

  13. Effects of elastic anisotropy on mechanical behavior of intermetallic compounds

    International Nuclear Information System (INIS)

    Yoo, M.H.

    1991-01-01

    Fundamental aspects of the deformation and fracture behavior of ordered intermetallic compounds are examined within the framework of linear anisotropic elasticity theory of dislocations and cracks. The orientation dependence and the tension/compression asymmetry of yield stress are explained in terms of the anisotropic coupling effect of non-glide stresses to the glide strain. The anomalous yield behavior is related to the disparity (edge/screw) of dislocation mobility and the critical stress required for the dislocation multiplication mechanism of Frank-Read type. The slip-twin conjugate relationship, extensive faulting, and pseudo-twinning (martensitic transformation) at a crack tip can be enhanced also by the anisotropic coupling effect, which may lead to transformation toughening of shear type

  14. Diffusion in intermetallic compounds studied using short-lived radioisotopes

    CERN Multimedia

    Diffusion – the long range movement of atoms – plays an important role in materials processing and in determining suitable applications for materials. Conventional radiotracer methods for measuring diffusion can determine readily how distributions of radioactive probe atoms in samples evolve under varying experimental conditions. It is possible to obtain limited information about atomic jump rates and pathways from these measurements; however, it is desirable to make more direct observations of the atomic jumps by using experimental methods that are sensitive to atomic scale processes. One such method is time-differential perturbed $\\gamma$–$\\gamma$-angular correlation spectroscopy (PAC). Two series of PAC experiments using $^{111m}$Cd are proposed to contribute to fundamental understanding of diffusion in intermetallic compounds. The goal of the first is to determine the dominant vacancy species in several Li$_{2}$-structured compounds and see if the previously observed change in diffusion mechanism th...

  15. A spin echo study of A15 intermetallic compounds

    International Nuclear Information System (INIS)

    Schoep, G.K.

    1976-01-01

    This thesis mainly concerns the measurement of spin-lattice relaxation times in intermetallic compounds of the bcc lattice structure, having the formula V 3 X (C = Pt, Ir, Os, Pd, Rh, Ni, Co, Au). When, in a spin echo experiment, a two-pulse sequence was applied, several quadrupolar echoes were observed. Special attention is given to the 'forbidden' echoes (absol.(Δm')GT1) in V 3 Au and V 3 Co. In relation to the V 3 X compounds, several characteristics are discussed including temperature dependence and concentration dependence of spin relaxation times, superconductivity and the importance of d-state electrons in determination of the spin relaxation times. Finally, the above characteristics were determined for 6 different samples of the vanadium-gold alloy, V 3 Au, specifically

  16. Solid state bonding of beryllium-copper for an ITER first wall application

    International Nuclear Information System (INIS)

    Odegard, B.C. Jr.; Cadden, C.H.

    1998-02-01

    Several different joint assemblies were evaluated in support of a manufacturing technology for diffusion bonding a beryllium armor tile to a copper alloy heat sink for fusion reactor applications. Because beryllium reacts with all but a few elements to form intermetallic compounds, this study considered several different surface treatments as a means of both inhibiting these reactions and promoting a good diffusion bond between the two substrates. A diffusion bonded assemblies used aluminum or an aluminum-beryllium composite (AlBeMet-150) as the interfacial material in contact with beryllium. In most cases, explosive bonding was utilized as a technique for joining the copper alloy heat sink to an aluminum or AlBeMet-150 substrate, which was subsequently diffusion bonded to an aluminum coated beryllium tile. In this approach, a 250 microm thick titanium foil was used as a diffusion barrier between the copper and aluminum to prevent the formation of Cu-Al intermetallic phases. In all cases, a hot isostatic pressing (HIP) furnace was used in conjunction with canned assemblies in order to minimize oxidation and apply sufficient pressure on the assembly for excellent metal-to-metal contact and subsequent bonding. Several different processing schedules were evaluated during the course of this study; bonded assemblies were produced that failed outside the bond area indicating a 100% joint efficiency

  17. Solid state bonding of beryllium-copper for an ITER first wall application

    Energy Technology Data Exchange (ETDEWEB)

    Odegard, B.C. Jr.; Cadden, C.H. [Sandia National Labs., Livermore, CA (United States)

    1998-01-01

    Several different joint assemblies were evaluated in support of a manufacturing technology for diffusion bonding a beryllium armor tile to a copper alloy heat sink for fusion reactor applications. Because beryllium reacts with all but a few elements to form intermetallic compounds, this study considered several different surface treatments as a means of both inhibiting these reactions and promoting a good diffusion bond between the two substrates. All diffusion bonded assemblies used aluminum or an aluminum-beryllium composite (AlBeMet-150) as the interfacial material in contact with beryllium. In most cases, explosive bonding was utilized as a technique for joining the copper alloy heat sink to an aluminum or AlBeMet-150 substrate, which was subsequently diffusion bonded to an aluminum coated beryllium tile. In this approach, a 250 {mu}m thick titanium foil was used as a diffusion barrier between the copper and aluminum to prevent the formation of Cu-Al intermetallic phases. In all cases, a hot isostatic pressing (HIP) furnace was used in conjunction with canned assemblies in order to minimize oxidation and apply sufficient pressure on the assembly for excellent metal-to-metal contact and subsequent bonding. Several different processing schedules were evaluated during the course of this study; bonded assemblies were produced that failed outside the bond area indicating a 100% joint efficiency. (author)

  18. The Influence of Grain Structure on Intermetallic Compound Layer Growth Rates in Fe-Al Dissimilar Welds

    Science.gov (United States)

    Xu, Lei; Robson, Joseph D.; Wang, Li; Prangnell, Philip B.

    2018-02-01

    The thickness of the intermetallic compound (IMC) layer that forms when aluminum is welded to steel is critical in determining the properties of the dissimilar joints. The IMC reaction layer typically consists of two phases ( η and θ) and many attempts have been made to determine the apparent activation energy for its growth, an essential parameter in developing any predictive model for layer thickness. However, even with alloys of similar composition, there is no agreement of the correct value of this activation energy. In the present work, the IMC layer growth has been characterized in detail for AA6111 aluminum to DC04 steel couples under isothermal annealing conditions. The samples were initially lightly ultrasonically welded to produce a metallic bond, and the structure and thickness of the layer were then characterized in detail, including tracking the evolution of composition and grain size in the IMC phases. A model developed previously for Al-Mg dissimilar welds was adapted to predict the coupled growth of the two phases in the layer, whilst accounting explicitly for grain boundary and lattice diffusion, and considering the influence of grain growth. It has been shown that the intermetallic layer has a submicron grain size, and grain boundary diffusion as well as grain growth plays a critical role in determining the thickening rate for both phases. The model was used to demonstrate how this explains the wide scatter in the apparent activation energies previously reported. From this, process maps were developed that show the relative importance of each diffusion path to layer growth as a function of temperature and time.

  19. Study on growth factors of intermetallic layer within hot-dipped

    Indian Academy of Sciences (India)

    Al-Zn-Si coating with regard to general seawater corrosion protection. This study deals with the interfacial intermetallic layer's growth, which affects considerably the corrosion resistance and mechanical properties of 25%Al-Zn alloy coatings, ...

  20. A Collection of Topological Types of Nanoclusters and Its Application to Icosahedron-Based Intermetallics.

    Science.gov (United States)

    Pankova, Arina A; Akhmetshina, Tatiana G; Blatov, Vladislav A; Proserpio, Davide M

    2015-07-06

    In this study, we carried out a topological and geometrical analysis of more than 27 000 intermetallics. More than 2000 topologically different nanoclusters were determined and stored in an electronic database as the Topological Types of Nanoclusters (TTN) collection. Besides the topology of the nanoclusters, the TTN collection contains the information on their occurrence as well as on motifs of their assembly in intermetallics; it is included to the set of the ToposPro topological collections. With the TTN collection we analyzed the topology of local binding and overall topological motifs in the 1528 intermetallics assembled with icosahedron-based building units. Taking the TTN collection as a starting point, we present the concept of a knowledge database and an expert system that can be used to process a huge set of data to find general regularities in the crystal structures of intermetallics and to predict some of their features.

  1. Transformation of intermetallic layer due to oxidation heat treatment on hot-dipped aluminium coated steel

    International Nuclear Information System (INIS)

    Hishamuddin Husain; Abdul Razak Daud; Muhamad Daud; Nadira Kamarudin

    2013-01-01

    Heat treatment was introduced onto the aluminum coated low carbon steel to promote the formation of thin layer of oxide for enhancement of oxidation protection of steel. This process has transformed the existing intermetallic layer formed during hot dip aluminising process. Experiment was conducted on the low carbon steel substrates with 10 mm x 10 mm x 2 mm dimension. Hot dip aluminising of low carbon steel was carried out at 750 degree Celsius dipping temperature in a molten pure aluminum for 5 minutes. Aluminized samples were heat treated at 600, 700, 800, and 900 degree Celsius for 1 hour. X-ray Diffraction (XRD), Scanning Electron Microscope (SEM) and EDAX were used in investigation. From the observation, it showed the intermetallic thickness increased with the increase in temperature. The result of EDAX analysis revealed the existence of oxide phase and the intermetallics. The XRD identified the intermetallics as Fe 2 Al 5 and FeAl 3 . (Author)

  2. 3D study of intermetallics and their effect on the corrosion morphology of rheocast aluminium alloy

    International Nuclear Information System (INIS)

    Mingo, B.; Arrabal, R.; Pardo, A.; Matykina, E.; Skeldon, P.

    2016-01-01

    In the present study, the effect of heat treatment T6.1 on the microstructure and corrosion behaviour of rheocast aluminium alloy A356 is investigated on the basis of 2D/3D characterization techniques and electrochemical and SKPFM measurements. Heat treatment strengthens the α-Al matrix, modifies the intermetallic particles and spheroidizes eutectic Si. These changes do not modify significantly the corrosion behaviour of the alloy. 3D SEM-Tomography clearly shows that the corrosion advances in the shape of narrow paths between closely spaced intermetallics without a major influence of eutectic Si. - Highlights: • T6.1 spheroidizes Si, strengthens the matrix and modifies the intermetallics. • Electrochemical behaviour of untreated and heat-treated alloys is similar. • 3D SEM-Tomography provides additional information on the corrosion morphology. • Corrosion advances as paths between intermetallics with little influence of Si.

  3. Elemental analysis of the Al-Fe intermetallic prepared by fast solidification

    International Nuclear Information System (INIS)

    Sandoval J, R.A.; Lopez M, J.; Ramirez T, J.J.; Aspiazu F, J.; Villasenor S, P.

    2003-01-01

    Applying the PIXE technique samples of the Al-Fe intermetallic prepared by fast solidification, obtained starting from Al recycled were analyzed. The concentrations of the found elements are given. (Author)

  4. Microstructural characterization of the intermetallic compound Al7Cu4Ni

    International Nuclear Information System (INIS)

    Herrera, R.; Soriano, O.; Dorantes, H. J.; Lopez, V. M.

    2004-01-01

    A study of the microstructural characterization of the intermetallic compound Al 7 Cu 4 Ni was carried out. The intermetallic compound was fabricated using the melting and casting process followed by a homogenization treatment at 750 degree centigrade for 240 h. The structural evolution during homogenizing was analyzed by X-ray diffraction. The microstructure of intermetallic compound was also characterized by scanning electron and transmission electron microscopes. Additionally, the micro homogeneity of this compound was studied by the Energy Dispersive and Wavelength Dispersive Spectroscopy. The results of this work showed that it was possible to obtain the intermetallic compound with the crystalline structure and at the composition reported in the literature. Besides, this compound showed a good chemical micro homogeneity, which makes it a possible candidate as a material reference for either microanalysis or hardness testing. (Author) 12 refs

  5. Environmentally dependent bond-order potentials: New ...

    Indian Academy of Sciences (India)

    Environmentally dependent bond-order potentials: New developments and applications ... for modelling amorphous structure we found that the and bond integrals are not only transferable between graphite and diamond structures but they are also strongly anisotropic due to inter-plan bonding between graphite sheets.

  6. Safety handling procedures of beryllium intermetallic compound on fusion blanket study

    International Nuclear Information System (INIS)

    Shibayama, Tamaki; Nakamichi, Masaru; Miyamoto, Mitsutaka; Kuga, Noriyoshi; Dorn, Christopher K.; Knudson, Theodore L.

    2011-01-01

    Beryllium generates neutrons through (n, 2n) reaction; therefore, it is the essential functional material in the nuclear engineering as neutron multiplier. In thermonuclear reactors, it is the important candidate for plasma-facing materials. In recent years, the development of Beryllium intermetallic compounds with improved thermal properties and safety in handling has made considerable progress especially in Japan. In the present review, the state-of-the-art studies on Beryllium intermetallic compounds are introduced. (J.P.N.)

  7. Influence of annealing time and temperature on the Fe3Al intermetallic alloys microstructure modification

    OpenAIRE

    K. Garbala; A. Patejuk

    2011-01-01

    There is an industry interesting in intermetallic alloys in recent years. There are widely possibilities to adopt this kind of materials for structural units. More expensive materials can be replaced by them. A property which limits their wider application is the low plasticity at environment and elevated temperatures. In paper the results of the thermal microstructure modification are shown. To this end, the influence of annealing time and temperature on the intermetallic phase Fe3Al grain s...

  8. Dynamic recrystallization in TiAl and Ti3Al intermetallic compounds

    International Nuclear Information System (INIS)

    Salishchev, G.A.; Imayev, R.M.; Imayev, V.M.; Gabdullin, N.K.

    1993-01-01

    The mechanical behaviour and microstructure evolution during hot deformation were investigated in TiAl and Ti 3 Al intermetallic compounds. The features of development of dynamic recrystallization in the both titanium aluminides were established. It is shown that we can use the dynamic recrystallization to obtain the micro- ( anti d∼1 μm) and submicrocrystalline ( anti d∼0,1 μm) structures in the TiAl and Ti 3 Al intermetallic compounds. (orig.)

  9. Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces

    DEFF Research Database (Denmark)

    Schiros, T.; Ogasawara, H.; Naslund, L. A.

    2010-01-01

    of the mixed phase at metal surfaces. The surface bonding can be considered to be similar to accepting a hydrogen bond, and we can thereby apply general cooperativity rules developed for hydrogen-bonded systems. This provides a simple understanding of why water molecules become more strongly bonded...... to the surface upon hydrogen bonding to OH and why the OH surface bonding is instead weakened through hydrogen bonding to water. We extend the application of this simple model to other observed cooperativity effects for pure water adsorption systems and H3O+ on metal surfaces.......We examine the balance of surface bonding and hydrogen bonding in the mixed OH + H2O overlayer on Pt(111), Cu(111), and Cu(110) via density functional theory calculations. We find that there is a cooperativity effect between surface bonding and hydrogen bonding that underlies the stability...

  10. Calorimetric study of the intermetallic compounds UAl2 and PuAl2

    International Nuclear Information System (INIS)

    Trainor, R.J.; Brodsky, M.B.; Knapp, G.S.

    1975-01-01

    Results of low temperature specific heat measurements are presented on the strongly paramagnetic intermetallic compounds UAl 2 and PuAl 2 in the temperature intervals 0.9 to 20 0 K, respectively. These compounds are characterized by very narrow 5f bands near the Fermi energy. The low-temperature properties of UAl 2 and PuAl 2 are dominated by long lived spin fluctuations within these narrow bands. In UAl 2 a nearly field-independent T 3 logT contribution dominates the specific heat below 10 0 K, consistent with the predictions of ferromagnetic spin-fluctuation theory. The specific heat, static susceptibility, and electrical resistivity are mutually consistent with T/sub sf/ = 25 +- 10 0 K, where T/sub sf/ is the characteristic spin-fluctuation temperature of the system. Below 20 0 K, the specific heat of PuAl 2 contains a very large linear term, C greater than or approximately equal to 260T (mJ/mole- 0 K), which is approximately four times the magnitude of the measured susceptibility, when both quantities are expressed in the same units. The specific heat of PuAl 2 exhibits no anomalous behavior below 10 0 K, where a resistivity anomaly has been previously obser []ed. The properties of PuAl 2 are qualitatively discussed in terms of antiferromagnetic spin fluctuations. (auth)

  11. Electride and superconductivity behaviors in Mn5Si3-type intermetallics

    Science.gov (United States)

    Zhang, Yaoqing; Wang, Bosen; Xiao, Zewen; Lu, Yangfan; Kamiya, Toshio; Uwatoko, Yoshiya; Kageyama, Hiroshi; Hosono, Hideo

    2017-08-01

    Electrides are unique in the sense that they contain localized anionic electrons in the interstitial regions. Yet they exist with a diversity of chemical compositions, especially under extreme conditions, implying generalized underlying principles for their existence. What is rarely observed is the combination of electride state and superconductivity within the same material, but such behavior would open up a new category of superconductors. Here, we report a hexagonal Nb5Ir3 phase of Mn5Si3-type structure that falls into this category and extends the electride concept into intermetallics. The confined electrons in the one-dimensional cavities are reflected by the characteristic channel bands in the electronic structure. Filling these free spaces with foreign oxygen atoms serves to engineer the band topology and increase the superconducting transition temperature to 10.5 K in Nb5Ir3O. Specific heat analysis indicates the appearance of low-lying phonons and two-gap s-wave superconductivity. Strong electron-phonon coupling is revealed to be the pairing glue with an anomalously large ratio between the superconducting gap Δ0 and Tc, 2Δ0/kBTc = 6.12. The general rule governing the formation of electrides concerns the structural stability against the cation filling/extraction in the channel site.

  12. Synthesis of Be–Ti–V ternary beryllium intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae-Hwan, E-mail: kim.jaehwan@jaea.go.jp; Nakamichi, Masaru

    2015-08-15

    Highlights: • Preliminary synthesis of ternary Be–Ti–V beryllides was investigated. • An area fraction of Be phase increased with increase of V amount in the beryllide because of increasing melting temperature. • The increase of Be phase fraction resulted in increase of weight gain as well as H{sub 2} generation. • The beryllides with lower V contents indicated to better phase stability at high temperature. - Abstract: Beryllium intermetallic compounds (beryllides) such as Be{sub 12}Ti and Be{sub 12}V are the most promising advanced neutron multipliers in demonstration power reactors. Advanced neutron multipliers are being developed by Japan and the EU as part of their Broader Approach activities. It has been previously shown, however, that beryllides are too brittle to fabricate into pebble- or rod-like shapes using conventional methods such as arc melting and hot isostatic pressing. To overcome this issue, we developed a new combined plasma sintering and rotating electrode method for the fabrication of beryllide rods and pebbles. Previously, we prepared a beryllide pebble with a Be–7.7 at.% Ti composition as the stoichiometric value of the Be{sub 12}Ti phase; however, Be{sub 17}Ti{sub 2} and Be phases were present along with the Be{sub 12}Ti phase that formed as the result of a peritectic reaction due to re-melting during granulation using the rotating electrode method. This Be phase was found to be highly reactive with oxygen and water vapor. Accordingly, to investigate the Be phase reduction and applicability for fabrication of electrodes prior to granulation using the rotating electrode method, Be–Ti–V ternary beryllides were synthesized using the plasma sintering method. Surface observation results indicated that increasing plasma sintering time and V addition led to an increase in the intermetallic compound phases compared with plasma-sintered beryllide with a Be–7.7 at.% Ti composition. Additionally, evaluation of the reactivity of

  13. Constant time INEPT CT-HSQC (CTi-CT-HSQC) – A new NMR method to measure accurate one-bond J and RDCs with strong 1H–1H couplings in natural abundance

    NARCIS (Netherlands)

    Yu, B.; van Ingen, H.|info:eu-repo/dai/nl/297054651; Freedberg, D.I.

    2013-01-01

    Strong (1)H-(1)H coupling can significantly reduce the accuracy of (1)J(CH) measured from frequency differences in coupled HSQC spectra. Although accurate (1)J(CH) values can be extracted from spectral simulation, it would be more convenient if the same accurate (1)J(CH) values can be obtained

  14. Effect of Ni interlayer on diffusion bonding of a W alloy and a Ta alloy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jian; Liu, Ruxia; Wei, Qinqin; Luo, Guoqiang; Shen, Qiang; Zhang, Lianmeng [Wuhan Univ. of Technology (China). The State Key Lab. of Advanced Technology for Materials Synthesis and Processing

    2017-11-01

    The combination of W and Ta is expected to be highly beneficial for many applications from aerospace, weapons, military and nuclear industry. In this paper, W and Ta alloys were successfully diffusion bonded with Ni interlayer. The process of the formation of W/Ni/Ta diffusion bonded joints was investigated by means of scanning electron microscopy, X-ray diffraction system, electron probe micro-analyzer, energy dispersive spectrometry and shear strength measurement. The results show that the shear strength increases when the bonding temperature increases and exhibits a maximum value of 244 MPa at 930 C. The bonding of W/Ni can be attributed to the bonding of Ni to tungsten grains and the bonding of Ni to a Ni-Fe-binder mainly by elemental diffusion. The fracture takes place in the Ni/Ta interface and Ni{sub 3}Ta and Ni{sub 2}Ta intermetallic compounds are formed on the fracture surfaces.

  15. Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment.

    Science.gov (United States)

    Petit, L; Paudyal, D; Mudryk, Y; Gschneidner, K A; Pecharsky, V K; Lüders, M; Szotek, Z; Banerjee, R; Staunton, J B

    2015-11-13

    We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab initio electronic structure theory which includes disordered local moments and strong f-electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with a pressure of +1.5 K kbar(-1) for GdCd confirmed by our experimental measurements of +1.6  K kbar(-1). Moreover, we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by noncollinear, canted magnetic order at low temperatures. Replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data.

  16. Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment

    Science.gov (United States)

    Petit, L.; Paudyal, D.; Mudryk, Y.; Gschneidner, K. A.; Pecharsky, V. K.; Lüders, M.; Szotek, Z.; Banerjee, R.; Staunton, J. B.

    2015-11-01

    We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab initio electronic structure theory which includes disordered local moments and strong f -electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with a pressure of +1.5 K kbar-1 for GdCd confirmed by our experimental measurements of +1.6 K kbar-1 . Moreover, we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by noncollinear, canted magnetic order at low temperatures. Replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data.

  17. Hybridization, electronic structure and properties of uranium intermetallics: URu 3, URh 3, UPd 3, UIr 3 and UPt 3

    Science.gov (United States)

    Oguchi, Tamio; Freeman, A. J.

    1986-10-01

    Results of fully-relativistic local density energy band calculations for uranium intermetallics, URu 3 URh 3, UPd 3, UIr 3 and UPt 3, are presented. These include energy bands projected by angular momentum and atom type, total and projected densities of states, specific heat mass enhancement factors and Stoner factors, Systematic variations in hybridization between uranium and transition-metal (X) states,particularly U-f and X-d, are found. The effects of crystal structure on the electronic structure of UPt 3 are examined. The f-d hybridization in the observed hexagonal UPt 3 phase is larger than that in the cubic phase. It is shown by inspecting the wavefunctions on the Fermi surface that the large k-dependence of the hybridization results in strong anistropy of the Fermi surface.

  18. A New Thermodynamic Parameter to Predict Formation of Solid Solution or Intermetallic Phases in High Entropy Alloys (Postprint)

    Science.gov (United States)

    2015-11-02

    AFRL-RX-WP-JA-2016-0345 A NEW THERMODYNAMIC PARAMETER TO PREDICT FORMATION OF SOLID SOLUTION OR INTERMETALLIC PHASES IN HIGH ENTROPY ...INTERMETALLIC PHASES IN HIGH ENTROPY ALLOYS (POSTPRINT) 5a. CONTRACT NUMBER FA8650-10-D-5226-0005 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER...simple thermodynamic criterion is proposed to predict the presence or absence of equilibrium intermetallic phases in a high entropy alloy at a given

  19. EFFECT OF INTERMETALLIC PHASES ON CORROSION BEHAVIOR AND MECHANICAL PROPERTIES OF DUPLEX STAINLESS STEEL AND SUPER-DUPLEX STAINLESS STEEL

    OpenAIRE

    Prabhu Paulraj; Rajnish Garg

    2015-01-01

    Duplex Stainless Steels (DSS) and Super Duplex Stainless Steel (SDSS) have excellent integration of mechanical and corrosion properties. However, the formation of intermetallic phases is a major problem in their usage. The mechanical and corrosion properties are deteriorated due to the presence of intermetallic phases. These phases are induced during welding, prolonged exposure to high temperatures, and improper heat treatments. The main emphasis of this review article is on intermetallic pha...

  20. Ultra-high vacuum compatible preparation chain for intermetallic compounds.

    Science.gov (United States)

    Bauer, A; Benka, G; Regnat, A; Franz, C; Pfleiderer, C

    2016-11-01

    We report the development of a versatile material preparation chain for intermetallic compounds, which focuses on the realization of a high-purity growth environment. The preparation chain comprises an argon glovebox, an inductively heated horizontal cold boat furnace, an arc melting furnace, an inductively heated rod casting furnace, an optically heated floating-zone furnace, a resistively heated annealing furnace, and an inductively heated annealing furnace. The cold boat furnace and the arc melting furnace may be loaded from the glovebox by means of a load-lock permitting to synthesize compounds starting with air-sensitive elements while handling the constituents exclusively in an inert gas atmosphere. All furnaces are all-metal sealed, bakeable, and may be pumped to ultra-high vacuum. We find that the latter represents an important prerequisite for handling compounds with high vapor pressure under high-purity argon atmosphere. We illustrate the operational aspects of the preparation chain in terms of the single-crystal growth of the heavy-fermion compound CeNi 2 Ge 2 .

  1. New ternary intermetallics, based magnesium, for hydrogen storage

    International Nuclear Information System (INIS)

    Roquefere, J.G.

    2009-05-01

    The use of fossil fuels (non-renewable energy) is responsible for increasing the concentration of greenhouse gases in the atmosphere. Among the considered alternatives, hydrogen is seen as the most attractive energy vector. The storage in intermetallics makes it possible to obtain mass and volume capacities (e.g. 140 g/L) higher than those obtained by liquid form or under pressure (respectively 71 and 40 g/L). We have synthesised Mg and Rare Earth based compounds (RE = Y, Ce and Gd), derived from the cubic Laves phases AB2. Their physical and chemical properties have been studied (hydrogenation, electrochemistry, magnetism,...). The conditions of sorption (P and T) are particularly favorable (i.e. absorption at room temperature and atmospheric pressure). Besides, to improve the sorption kinetics of metallic magnesium, the compounds developed previously were used as catalysts. Thus, GdMgNi4 was milled with magnesium and the speeds of absorption and desorption of the mixture are found higher than those obtained for the composites Mg+Ni or Mg+V, which are reference systems. A theoretical approach (DFT) was used to model the electronic structure of the ternary compounds (i.e. REMgNi4) and thus to predict or confirm the experimental results. (authors)

  2. Structural transitions in RNi(10)Si(2) intermetallics.

    Science.gov (United States)

    Moze, O; Kockelmann, W A; Hofmann, M; Cadogan, J M; Ryan, D H; Buschow, K H J

    2009-03-25

    Intermetallic compounds of the type RFe(10)Si(2) and RCo(10)Si(2) crystallize in the ThMn(12) structure (space group I4/mmm) whilst the heavy rare earth series RNi(10)Si(2) crystallize in a maximal subgroup of I4/mmm, P4/nmm. Reported here are neutron powder diffraction investigations for TbNi(10)Si(2) and ErNi(10)Si(2) which show that the P4/nmm structure undergoes a high temperature order-disorder phase transition at approximately 930 °C above which the ordered Ni and Si fractions revert to a random distribution on 4d and 4e sites. The volume expansion has been tracked in detail via the temperature dependence of the lattice parameters, whilst the temperature dependence of the thermal expansion coefficients α(11), α(33) and α(volume) has been determined from the lattice parameters. Associated with the order-disorder transition is a transition associated with a displacement of the R ion along the c-axis. Both transitions are of second order and the critical exponent associated with the order-disorder and displacive transitions, β = 0.31, is in excellent agreement with the exponent determined for the three-dimensional Ising model.

  3. From Structural Complexity to Structure-Property Relationships in Intermetallics: Development of Density Functional Theory-Chemical Pressure Analysis

    Science.gov (United States)

    Engelkemier, Joshua

    The unparalleled structural diversity of intermetallic compounds provides nearly unlimited potential for the discovery and optimization of materials with useful properties, such as thermoelectricity, superconductivity, magnetism, hydrogen storage, superelasticity, and catalysis. This same diversity, however, creates challenges for understanding and controlling the unpredictable structure of intermetallic phases. Moreover, the fundamental design principles that have proven so powerful in molecular chemistry do not have simple analogues for metallic, solid state materials. One of these basic principles is the concept of atomic size effects. Especially in densely packed crystal structures where the need to fill space is in competition with the atoms' preferences for ideal interatomic distances, substitution of one element in a compound for another with similar chemical properties yet different atomic size can have dramatic effects on the ordering of the atoms (which in turn affects the electronic structure, vibrational properties, and materials properties). But because the forces that hold metallic phases together are less easily understood from a local perspective than covalent or ionic interactions in other kinds of materials, it is usually unclear whether the atoms are organized to optimize stabilizing, bonding interactions or rather forced to be close together despite repulsive, steric interactions. This dissertation details the development of a theoretical method, called Density Functional Theory-Chemical Pressure (DFT-CP) analysis, to address this issue. It works by converting the distribution of total energy density from a DFT calculation into a map of chemical pressure through a numerical approximation of the first derivative of energy with respect to voxel volume. The CP distribution is then carefully divided into contact volumes between neighboring atoms, from which it is possible to determine whether atoms are too close together (positive CP) or too far

  4. Diffusion bonding

    International Nuclear Information System (INIS)

    Anderson, R.C.

    1976-01-01

    A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions

  5. Description of the magnetic properties of strongly correlated disordered solid solutions in the coherent potential approximation

    Science.gov (United States)

    Korotin, M. A.; Skorikov, N. A.

    2015-06-01

    A method for electronic structure calculations of strongly correlated materials based on the coherent potential approximation is formulated and implemented. Method is applied for investigation of the electronic structure and local magnetic moments of the strongly correlated systems with d- and f-electrons: NiO-ZnO solid solution, nonstoichiometric perovskite LaMnO3-x, doped compound TiO2:Fe, and rare-earth transition-metal intermetallic compound GdNi2:Mn.

  6. Wear out Reliability and Intermetallic Compound Diffusion Kinetics of Au and PdCu Wires Used in Nano scale Device Packaging

    International Nuclear Information System (INIS)

    Gan, C.L.; Ng, E.K.; Chan, B.L.; Gan, C.L.; Hashim, U.; Classe, F.C.; Kwuanjai, T.

    2013-01-01

    Wear out reliability and diffusion kinetics of Au and Pd-coated Cu (PdCu) ball bonds are useful technical information for Cu wire deployment in nano scale semiconductor device packaging. This paper discusses the HAST (with bias) and UHAST (unbiased HAST) wear out reliability performance of Au and PdCu wires used in fine pitch BGA packages. In-depth failure analysis has been carried out to identify the failure mechanism under various wear out conditions. Intermetallic compound (IMC) diffusion constants and apparent activation energies (E a a) of both wire types were investigated after high temperature storage life test (HTSL). Au bonds were identified to have faster IMC formation, compared to slower IMC growth of PdCu. PdCu wire was found to exhibit equivalent or better wear out reliability margin compared to conventional Au wire bonds. Failure mechanisms of Au, Cu ball bonds post-HAST and UHAST tests are been proposed, and both Au and PdCu IMC diffusion kinetics and their characteristics are discussed in this paper.

  7. Diffusion Bonding Behavior and Characterization of Joints Made Between 316L Stainless Steel Alloy and AZ31 Magnesium Alloy

    Science.gov (United States)

    Elthalabawy, Waled Mohamed

    The 316L austenitic stainless steel and AZ31 magnesium alloy have physical and mechanical properties which makes these alloys suitable in a number of high technology based industries such as the aerospace and automotive sectors. However, for these alloys to be used in engineering applications, components must be fabricated and joined successfully. The differences in the physical and metallurgical properties between these two alloys prevents the use of conventional fusion welding processes commonly employed in aerospace and transport industry. Therefore, alternative techniques need to be developed and diffusion bonding technology is a process that has considerable potential to join these two dissimilar alloys. In this research work both solid-state and transient liquid phase (TLP) bonding processes were applied. The solid-state bonding of 316L steel to AZ31 magnesium alloy was possible at a bonding temperature of 550°C for 120 minutes using a pressure of 1.3 MPa. The interface characterization of the joint showed a thin intermetallic zone rich in Fe-Al was responsible for providing a metallurgical bond. However, low joint shear strengths were recorded and this was attributed to the poor surface to surface contact. The macro-deformation of the AZ31 alloy prevented the use of higher bonding pressures and longer bonding times. In order to overcome these problems, the TLP bonding process was implemented using pure Cu and Ni foils as interlayers which produced a eutectic phase at the bonding temperature. This research identified the bonding mechanism through microstructural and differential scanning calorimetry investigations. The microstructural characterization of the TLP joints identified intermetallics which became concentrated along the 316L steel/AZ31 bond interface due to the "pushing effect" of the solid/liquid interface during isothermal solidification stage of bonding. The size and concentration of the intermetallics had a noticeable effect on the final joint

  8. Ab initio study of the structural, electronic, elastic and thermal properties of RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Miloud Abid, O.; Yakoubi, A. [Laboratoire d’Etudes des Matériaux et Instrumentations Expérimentales, Université Djilali Liabes de Sidi Bel-Abbes, 22000 (Algeria); Tadjer, A. [Modeling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, Sidi Bel-Abbes (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Modélisation Mathématique (LPQ3M), Université de Mascara, 29000 (Algeria); Ahmed, R. [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Murtaza, G. [Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar (Pakistan); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Azam, Sikander [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic)

    2014-12-15

    Highlights: • The calculated structural parameters of RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds are found in good agreement with the experimental data. • The structural and band structure calculation reveals that these compounds are ferromagnetic brittle metals. • The elastic and thermodynamic properties for the herein studied compounds are investigated for the first time. - Abstract: Intermetallic RMn{sub 2}Ge{sub 2} ternary compounds have attracted considerable attention from researchers in recent years because they show strong indications for novel magnetic characteristics and they have the potential to reveal the mechanism of superlattices. The study of the paramagnetic, ferromagnetic and antiferromagnetic phases affirms the strong dependence to the distance between atomic species in these compounds. In this study, we investigated the structural, elastic, electronic and thermodynamic properties of the intermetallic RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds. To carry out this study, we used the full potential (FP) linearized (L) augmented plane wave plus local orbitals (APW + lo), a scheme of calculations developed within the frame work of density functional theory (DFT). To incorporate the exchange correlation (XC) energy and corresponding potential into the total energy calculations, local density approximation (LDA) parameterized by Perdew and Wang is taken into account. Analysis of the density of states (DOS) profile illustrates the conducting nature of these intermetallic compounds; with a predominantly contribution from the R and Mn-d states. At ambient conditions, calculations for elastic constants (C{sub 11}, C{sub 12}, C{sub 13}, C{sub 44}, C{sub 33} and C{sub 66}) are also performed, which point to their brittle character. In addition, the quasi harmonic Debye model was used to predict the thermal properties, together with relative expansion coefficients and heat capacity.

  9. AA6082 to DX56-Steel Laser Brazing: Process Parameter-Intermetallic Formation Correlation

    Science.gov (United States)

    Narsimhachary, D.; Pal, S.; Shariff, S. M.; Padmanabham, G.; Basu, A.

    2017-09-01

    In the present study, laser-brazed AA6082 to DX56-galvanized steel joints were investigated to understand the influence of process parameters on joint strength in terms of intermetallic layer formation. 1.5-mm-thick sheet of aluminum alloy (AA6082-T6) and galvanized steel (DX56) sheet of 0.7 mm thickness were laser-brazed with 1.5-mm-diameter Al-12% Si solid filler wire. During laser brazing, laser power (4.6 kW) and wire feed rate (3.4 m/min) were kept constant with a varying laser scan speed of 3.5, 3, 2.5, 2, 1.5, and 1 m/min. Microstructure of brazed joint reveals epitaxial growth at the aluminum side and intermetallic layer formation at steel interface. Intermetallic layer formation was confirmed by EDS analysis and XRD study. Hardness profile showed hardness drop in filler region, and failure during tensile testing was initiated through the filler region near the steel interface. As per both experimental study and numerical analysis, it was observed that intermetallic layer thickness decreases with increasing brazing speed. Zn vaporization from galvanized steel interface also affected the joint strength. It was found that high laser scan speed or faster cooling rate can be chosen for suppressing intermetallic layer formation or at least decreasing the layer thickness which results in improved mechanical properties.

  10. Dendrite Growth Kinetics in Undercooled Melts of Intermetallic Compounds

    Directory of Open Access Journals (Sweden)

    Dieter M. Herlach

    2015-09-01

    Full Text Available Solidification needs an undercooling to drive the solidification front. If large undercoolings are achieved, metastable solid materials are solidified from the undercooled melt. Containerless processing provides the conditions to achieve large undercoolings since heterogeneous nucleation on container walls is completely avoided. In the present contribution both electromagnetic and electrostatic levitation are applied. The velocity of rapidly advancing dendrites is measured as a function of undercooling by a High-Speed-Camera. The dendrite growth dynamics is investigated in undercooled melts of intermetallic compounds. The Al50Ni50 alloy is studied with respect to disorder trapping that leads to a disordered superlattice structure if the melt is undercooled beyond a critical undercooling. Disorder trapping is evidenced by in situ energy dispersive diffraction using synchrotron radiation of high intensity to record full diffraction pattern on levitated samples within a short time interval. Experiments on Ni2B using different processing techniques of varying the level of convection reveal convection-induced faceting of rapidly growing dendrites. Eventually, the growth velocity is measured in an undercooled melt of glass forming Cu50Zr50 alloy. A maximum in the growth velocity–undercooling relation is proved. This is understood by the fact that the temperature dependent diffusion coefficient counteracts the thermodynamic driving force for rapid growth if the temperature of the undercooled melt is approaching the temperature regime above the glass transition temperature. The analysis of this result allows for determining the activation energy of atomic attachment kinetics at the solid–liquid interface that is comparable to the activation energy of atomic diffusion as determined by independent measurements of the atomic diffusion in undercooled Cu50Zr50 alloy melt.

  11. A Review on the Properties of Iron Aluminide Intermetallics

    Directory of Open Access Journals (Sweden)

    Mohammad Zamanzade

    2016-01-01

    Full Text Available Iron aluminides have been among the most studied intermetallics since the 1930s, when their excellent oxidation resistance was first noticed. Their low cost of production, low density, high strength-to-weight ratios, good wear resistance, ease of fabrication and resistance to high temperature oxidation and sulfurization make them very attractive as a substitute for routine stainless steel in industrial applications. Furthermore, iron aluminides allow for the conservation of less accessible and expensive elements such as nickel and molybdenum. These advantages have led to the consideration of many applications, such as brake disks for windmills and trucks, filtration systems in refineries and fossil power plants, transfer rolls for hot-rolled steel strips, and ethylene crackers and air deflectors for burning high-sulfur coal. A wide application for iron aluminides in industry strictly depends on the fundamental understanding of the influence of (i alloy composition; (ii microstructure; and (iii number (type of defects on the thermo-mechanical properties. Additionally, environmental degradation of the alloys, consisting of hydrogen embrittlement, anodic or cathodic dissolution, localized corrosion and oxidation resistance, in different environments should be well known. Recently, some progress in the development of new micro- and nano-mechanical testing methods in addition to the fabrication techniques of micro- and nano-scaled samples has enabled scientists to resolve more clearly the effects of alloying elements, environmental items and crystal structure on the deformation behavior of alloys. In this paper, we will review the extensive work which has been done during the last decades to address each of the points mentioned above.

  12. The Nature of the Hydrogen Bond Outline of a Comprehensive Hydrogen Bond Theory

    CERN Document Server

    Gilli, Gastone

    2009-01-01

    Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies andgeometries.New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: cha

  13. Development for dissimilar metal joint between stainless steel and zirconium by explosive bonding technique

    International Nuclear Information System (INIS)

    Onuma, Tsutomu; Matsumoto, Toshimi; Asano, Chooichi; Funamoto, Takao; Hirose, Yasuo; Sasada, Yasuhiro.

    1988-01-01

    Development of dissimilar metal joints between stainless steel and Zr for application to nuclear fuel reprocessing equipment was studied. Two dissimilar metal joints (Zr to SUS 304 L joint and its joint using Ta as insert metal) were made by the explosive bonding technique. After bonding, microstructure, tensile strength and corrosion test of dissimilar metal joints were investigated. The results indicated that: (1) The good dissimilar metal joint is obtained between stainless steel and Zr with a Ta insert metal by using explosive bonding technique. (2) A Ta insert metal retards a growth of intermetallic compounds at the bonding interface. (3) The strength of the dissimilar metal joint in this study is higher than that of Zr metal. Any local attack was not observed at the bonding interface after corrosion test. (author)

  14. Intensive structural investigation of R{sub 2}Fe{sub 17-x}M{sub x} intermetallic compounds using high resolution powder neutron diffractometer

    Energy Technology Data Exchange (ETDEWEB)

    Mujamilah; Ridwan [Materials Science Research Center, National Atomic Energy Agency of Indonesia, Jakarta (Indonesia)

    1998-10-01

    The crystallographic and magnetic structure of R{sub 2}Fe{sub 17-x}M{sub x} intermetallic compounds system were refined by Rietveld analyses of the high resolution neutron powder diffraction data. The analyses results show that the substituent atoms were not distributed randomly over the Fe sites, but preferentially occupied some Fe sites. More further, it was also found that the substituent atoms which atomic radius smaller than Fe tend to avoid the 6c site at low concentration while the larger substituent atom tend to replace the Fe atom at this 6c site corresponding to their concentration. From these crystallographic data, it was suggested that the change of magnetic ordering temperature Tc, is not mainly determined by the change of short bond distance between this `dumb-bell` atoms, but it was also influenced by the nearest coordinated atoms to this site. (author)

  15. Intermetallic compounds of Ni and Ga as catalysts for the synthesis of methanol

    DEFF Research Database (Denmark)

    Sharafutdinov, Irek; Elkjær, Christian Fink; de Carvalho, Hudson Wallace Pereira

    2014-01-01

    In this work, we present a detailed study of the formation of supported intermetallic Ni–Ga catalysts for CO2 hydrogenation to methanol. The bimetallic phase is formed during a temperature-programmed reduction of the metal nitrates. By utilizing a combination of characterization techniques......, in particular in situ and ex situ X-ray diffraction, in situ X-ray absorption spectroscopy, transmission electron microscopy combined with electron energy loss spectroscopy and X-ray fluorescence, we have studied the formation of intermetallic Ni–Ga catalysts of two compositions: NiGa and Ni5Ga3. These methods...... demonstrate that the catalysts with the desired intermetallic phase and composition are formed upon reduction in hydrogen and enable us to propose a mechanism of the Ni–Ga nanoparticles formation. By studying the effect of calcination prior to catalyst reduction, we show that the reactivity depends...

  16. Tribological properties of the Fe-Al intermetallic alloys after annealing

    Directory of Open Access Journals (Sweden)

    K. Garbala

    2011-04-01

    Full Text Available In paper researching results of tribological proprieties Fe3Al intermetallic alloys after annealing are presented. Studies were conducted in the following environments: a water; an air and oil. For investigation purposes the tribotester pin-on-disk type with the contrsample made of steel 40H quenched and tempered was used. Tests were carried out with the following process parameters: pressure p = 2MPa and linear velocity (circuital V = 0.46m/s. It was noted, that intermetallic samples with the small distinction in chemical compositions, annealed at different temperatures showed a large difference in the quantity of material loss in the all tested environments. Appropriately selected parameters of the intermetallic alloys annealing, provide their greater resistance to abrasion in the air and oil environments than in the case of steel.

  17. Microstructure and Tribological Properties of Mo-40Ni-13Si Multiphase Intermetallic Alloy.

    Science.gov (United States)

    Song, Chunyan; Wang, Shuhuan; Gui, Yongliang; Cheng, Zihao; Ni, Guolong

    2016-12-06

    Intermetallic compounds are increasingly being expected to be utilized in tribological environments, but to date their implementation is hindered by insufficient ductility at low and medium temperatures. This paper presents a novel multiphase intermetallic alloy with the chemical composition of Mo-40Ni-13Si (at %). Microstructure characterization reveals that a certain amount of ductile Mo phases formed during the solidification process of a ternary Mo-Ni-Si molten alloy, which is beneficial to the improvement of ductility of intermetallic alloys. Tribological properties of the designed alloy-including wear resistance, friction coefficient, and metallic tribological compatibility-were evaluated under dry sliding wear test conditions at room temperature. Results suggest that the multiphase alloy possesses an excellent tribological property, which is attributed to unique microstructural features and thereby a good combination in hardness and ductility. The corresponding wear mechanism is explained by observing the worn surface, subsurface, and wear debris of the alloy, which was found to be soft abrasive wear.

  18. EFFECT OF INTERMETALLIC PHASES ON CORROSION BEHAVIOR AND MECHANICAL PROPERTIES OF DUPLEX STAINLESS STEEL AND SUPER-DUPLEX STAINLESS STEEL

    Directory of Open Access Journals (Sweden)

    Prabhu Paulraj

    2015-08-01

    Full Text Available Duplex Stainless Steels (DSS and Super Duplex Stainless Steel (SDSS have excellent integration of mechanical and corrosion properties. However, the formation of intermetallic phases is a major problem in their usage. The mechanical and corrosion properties are deteriorated due to the presence of intermetallic phases. These phases are induced during welding, prolonged exposure to high temperatures, and improper heat treatments. The main emphasis of this review article is on intermetallic phases and their effects on corrosion and mechanical properties. First the effect of various alloying elements on DSS and SDSS has been discussed followed by formation of various intermetallic phases. The intermetallic phases affect impact toughness and corrosion resistance significantly. Their deleterious effect on weldments has also been reviewed.

  19. Influence of annealing time and temperature on the Fe3Al intermetallic alloys microstructure modification

    Directory of Open Access Journals (Sweden)

    K. Garbala

    2011-04-01

    Full Text Available There is an industry interesting in intermetallic alloys in recent years. There are widely possibilities to adopt this kind of materials for structural units. More expensive materials can be replaced by them. A property which limits their wider application is the low plasticity at environment and elevated temperatures. In paper the results of the thermal microstructure modification are shown. To this end, the influence of annealing time and temperature on the intermetallic phase Fe3Al grain size was investigated. The impact of these factors on micro-hardness was examined as well. It was found that these operations cause the grain size reduction and the micro-hardness decrease.

  20. Tribological properties of the Fe-Al intermetallic alloys after annealing

    OpenAIRE

    K. Garbala; A. Patejuk

    2011-01-01

    In paper researching results of tribological proprieties Fe3Al intermetallic alloys after annealing are presented. Studies were conducted in the following environments: a water; an air and oil. For investigation purposes the tribotester pin-on-disk type with the contrsample made of steel 40H quenched and tempered was used. Tests were carried out with the following process parameters: pressure p = 2MPa and linear velocity (circuital) V = 0.46m/s. It was noted, that intermetallic samples with t...

  1. A Self-Propagating Foaming Process of Porous Al-Ni Intermetallics Assisted by Combustion Reactions

    Directory of Open Access Journals (Sweden)

    Makoto Kobashi

    2009-12-01

    Full Text Available The self-propagating foaming process of porous Al-Ni intermetallics was investigated. Aluminum and nickel powders were blended, and titanium and boron carbide powders were added as reactive exothermic agents. The blended powder was extruded to make a rod-shape precursor. Only one end of the rod precursor was heated to ignite the reaction. The reaction propagated spontaneously throughout the precursor. Pore formation took place at the same time as the reaction occurred. Adding the exothermic agent was effective to increase the porosity. Preheating the precursor before the ignition was also very effective to produce porous Al-Ni intermetallics with high porosity.

  2. Large positive magnetoresistance in intermetallic compound NdCo2Si2

    Science.gov (United States)

    Roy Chowdhury, R.; Dhara, S.; Das, I.; Bandyopadhyay, B.; Rawat, R.

    2018-04-01

    The magnetic, magneto-transport and magnetocaloric properties of antiferromagnetic intermetallic compound NdCo2Si2 (TN = 32K) have been studied. The compound yields a positive magnetoresistance (MR) of about ∼ 123 % at ∼ 5K in 8 T magnetic field. The MR value is significantly large vis - a - vis earlier reports of large MR in intermetallic compounds, and possibly associated with the changes in magnetic structure of the compound. The large MR value can be explained in terms of field induced pseudo-gaps on Fermi surface.

  3. MCrAlY bond coat with enhanced Yttrium layer

    Science.gov (United States)

    Jablonski, Paul D; Hawk, Jeffrey A

    2015-04-21

    One or more embodiments relates to an MCrAlY bond coat comprising an MCrAlY layer in contact with a Y--Al.sub.2O.sub.3 layer. The MCrAlY layer is comprised of a .gamma.-M solid solution, a .beta.-MAl intermetallic phase, and Y-type intermetallics. The Y--Al.sub.2O.sub.3 layer is comprised of Yttrium atoms coordinated with oxygen atoms comprising the Al.sub.2O.sub.3 lattice. Both the MCrAlY layer and the Y--Al.sub.2O.sub.3 layer have a substantial absence of Y--Al oxides, providing advantage in the maintainability of the Yttrium reservoir within the MCrAlY bulk. The MCrAlY bond coat may be fabricated through application of a Y.sub.2O.sub.3 paste to an MCrAlY material, followed by heating in a non-oxidizing environment.

  4. The influence of pressure on diffusion leading to intermetallic compounds

    International Nuclear Information System (INIS)

    Adda, Y.; Beyeler, M.; Kirianenko, A.; Pernot, B.

    1961-01-01

    Some investigators A.D. LE CLAIRE, J.L. ZAMBROW, L. CASTLEMAN, have shown that the application of uniaxial pressure parallel to the direction of diffusion may notably modify the kinetics of growth of the intermediate phases which can be formed in this direction. The interpretation of this phenomenon being obscure, an attempt is made to explain it by detailed analysis of the experimental facts. The microscopic studies of the kinetics of growth of the zones formed shows particularly in the couples Uranium-Copper and Uranium-Nickel that it is influenced in a similar manner by a uniaxial pressure and a hydrostatic one. On the other hand the rate of growth of these zones increases as a function of the applied pressure in the systems Uranium-Copper, Uranium-Nickel and Uranium-Aluminium (this effect being particularly marked in Uranium-Aluminium). To determine with precision the limits of the range of stability of the intermetallic compounds, the curves of concentration penetration characteristics of the diffusion have been established by means of the CASTAING electronic microanalyser. The examination of the results indicates that when diffusion takes place without external pressure (couples U-Cu and U-Ni) or with a pressure less than 300 kg/cm 2 (couple U-Al) the concentration varies notably in the compounds obtained, which theoretically are stoichiometric. Thus, when crossing the zone of diffusion of one base metal to another one notes a continual passage of: UCu 4.70 to UCu 5.25 in the couple U-Cu; UNi 4.75 to UNi 5.25 in the couple U-Ni; UAl 2.2 to UAl 3.3 in the couple U-Al. If an uniaxial or hydrostatic pressure above 500 kg/cm 2 is applied to the couples U-Cu and U-Ni, or above 1000 kg/cm 2 for the couple U-Al, the composition is then constant in the zones formed. It corresponds to: UCu 5 in the couple U-Cu; UNi 5 in the couple U-Ni; UAl 3 in the couple U-Al. These results are confirmed by an X-ray diffraction study, mainly in the U-Cu system. Experiments in

  5. Effect of Ti interlayer on the bonding quality of W and steel HIP joint

    Science.gov (United States)

    Wang, Ji-Chao; Wang, Wanjing; Wei, Ran; Wang, Xingli; Sun, Zhaoxuan; Xie, Chunyi; Li, Qiang; Luo, Guang-Nan

    2017-03-01

    Tungsten (W) and steel bonding is one of the key technologies for blanket First Wall (FW) manufacture in thermal fusion reactor. The W/Steel joints are prone to fail without interlayer for the different thermo physical properties. To study the effect of titanium (Ti) interlayer on the bonding quality of W and steel joints, W/Steel Hot Isostatic Pressing (HIP) experiments with Ti interlayer were conducted under 930 °C, 100 MPa for 2 h. Intermetallics caused by atom interdiffusion would affect the bonding quality of W/Ti/Steel HIP joints, the bonding quality was evaluated by microstructure analysis and mechanical tests. All the HIP joints were well bonded and results showed no intermetallics occurred between W/Ti interfaces, meanwhile multiply phases were found between Ti/Steel interfaces. Shear tests indicated when Ti thickness was 100-500 μm, the maximum shear strength of W/Ti/Steel HIP joints would be up to around 151 MPa. Charpy impact tests showed the W/Ti/Steel HIP joints all broke in a brittle manner and the maximum Charpy impact energy was ∼0.192 J. Nano-indentation tests demonstrated W/Ti interfaces could be enhanced by solid solution hardening and formation of brittle phases has conducted high hardness across the Ti/Steel interfaces.

  6. Transient Liquid Phase Behavior of Sn-Coated Cu Particles and Chip Bonding using Paste Containing the Particles

    Directory of Open Access Journals (Sweden)

    Hwang Jun Ho

    2017-06-01

    Full Text Available Sn-coated Cu particles were prepared as a filler material for transient liquid phase (TLP bonding. The thickness of Sn coating was controlled by controlling the number of plating cycles. The Sn-coated Cu particles best suited for TLP bonding were fabricated by Sn plating thrice, and the particles showed a pronounced endothermic peak at 232°C. The heating of the particles for just 10 s at 250°C destroyed the initial core-shell structure and encouraged the formation of Cu-Sn intermetallic compounds. Further, die bonding was also successfully performed at 250°C under a slight bonding pressure of around 0.1 MPa using a paste containing the particles. The bonding time of 30 s facilitated the bonding of Sn-coated Cu particles to the Au surface and also increased the probability of network formation between particles.

  7. PREFACE: Strongly correlated electron systems Strongly correlated electron systems

    Science.gov (United States)

    Saxena, Siddharth S.; Littlewood, P. B.

    2012-07-01

    This special section is dedicated to the Strongly Correlated Electron Systems Conference (SCES) 2011, which was held from 29 August-3 September 2011, in Cambridge, UK. SCES'2011 is dedicated to 100 years of superconductivity and covers a range of topics in the area of strongly correlated systems. The correlated electronic and magnetic materials featured include f-electron based heavy fermion intermetallics and d-electron based transition metal compounds. The selected papers derived from invited presentations seek to deepen our understanding of the rich physical phenomena that arise from correlation effects. The focus is on quantum phase transitions, non-Fermi liquid phenomena, quantum magnetism, unconventional superconductivity and metal-insulator transitions. Both experimental and theoretical work is presented. Based on fundamental advances in the understanding of electronic materials, much of 20th century materials physics was driven by miniaturisation and integration in the electronics industry to the current generation of nanometre scale devices. The achievements of this industry have brought unprecedented advances to society and well-being, and no doubt there is much further to go—note that this progress is founded on investments and studies in the fundamentals of condensed matter physics from more than 50 years ago. Nevertheless, the defining challenges for the 21st century will lie in the discovery in science, and deployment through engineering, of technologies that can deliver the scale needed to have an impact on the sustainability agenda. Thus the big developments in nanotechnology may lie not in the pursuit of yet smaller transistors, but in the design of new structures that can revolutionise the performance of solar cells, batteries, fuel cells, light-weight structural materials, refrigeration, water purification, etc. The science presented in the papers of this special section also highlights the underlying interest in energy-dense materials, which

  8. Growth of intermetallics between Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layered structures

    International Nuclear Information System (INIS)

    Horváth, Barbara; Illés, Balázs; Shinohara, Tadashi

    2014-01-01

    Intermetallic growth mechanisms and rates are investigated in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. An 8–10 μm thick Sn surface finish layer was electroplated onto a Cu substrate with a 1.5–2 μm thick Ni or Ag barrier layer. In order to induce intermetallic layer growth, the samples were aged in elevated temperatures: 50 °C and 125 °C. Intermetallic layer growth was checked by focused ion beam–scanning ion microscope. The microstructures and chemical compositions of the intermetallic layers were observed with a transmission electron microscope. It has been found that Ni barrier layers can effectively block the development of Cu 6 Sn 5 intermetallics. The intermetallic growth characteristics in the Sn/Cu and Sn/Ni/Cu systems are very similar. The intermetallic layer grows towards the Sn layer and forms a discrete layer. Differences were observed only in the growth gradients and surface roughness of the intermetallic layer which may explain the different tin whiskering properties. It was observed that the intermetallic layer growth mechanisms are completely different in the Ag barrier layers compared to the Ni layers. In the case of Sn/Ag/Cu systems, the Sn and Cu diffused through the Ag layer, formed Cu 6 Sn 5 intermetallics mainly at the Sn/Ag interface and consumed the Ag barrier layer. - Highlights: • Intermetallic growth was characterised in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. • Intermetallic growth rates and roughness are similar in the Sn/Cu and Sn/Ni/Cu systems. • Sn/Ni/Cu system contains the following intermetallic layer structure Sn–Ni3Sn4–Ni3Sn2–Ni3Sn–Ni. • In the case of Sn/Ag/Cu systems the Sn and Cu diffusion consumes the Ag barrier layer. • When Cu reaches the Sn/Ag interface a large amount of Cu 6 Sn 5 forms above the Ag layer

  9. Are Stock and Corporate Bond Markets Integrated?

    OpenAIRE

    van Zundert, J.; Driessen, Joost

    2017-01-01

    This study explores the cross-sectional integration of stock and corporate bond markets by comparing a firm’s expected stock return, as implied by corporate bond spreads, to its realized stock return. We compute expected corporate bond returns by correcting credit spreads for expected losses due to default, which are then transformed into expected stock returns. We find, surprisingly, a strong negative cross-sectional relation between these expected and realized stock returns over the period ...

  10. Diffusionless bonding of aluminum to type 304 stainless steel

    International Nuclear Information System (INIS)

    Watson, R.D.

    1963-03-01

    High strength diffusionless bonds can be produced between 1S aluminum and oxidized 304 stainless steel by hot pressing and extrusion bonding. Both the hot pressing and extrusion bonding techniques have been developed to a point where consistently good bonds can be obtained. Although the bonding is performed at elevated temperatures (about 510 o C) a protective atmosphere is not required to produce strong bonds. The aluminum-stainless steel bonded specimens can be used to join aluminum and stainless steel by conventional welding. Welding close to the bond zone does not appear to affect the integrity of the bond. The extrusion bonding technique is covered by Canadian patent 702,438 January 26, 1965 and the hot press bonding technique by Canadian patent application 904,548 June 6, 1964. (author)

  11. Understanding Bonds - Denmark

    DEFF Research Database (Denmark)

    Rimmer, Nina Røhr

    2016-01-01

    a specified rate of interest during the life of the bond and to repay the face value of the bond (the principal) when it “matures,” or comes due. Among the types of bonds you can choose from are: Government securities, municipal bonds, corporate bonds, mortgage and asset-backed securities, federal agency...

  12. The effect of microstructures on mechanical behaviors of Ti2AlNb intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Liming; Yao, Mei; Zou, Dunxu; Zhu, Dong; Cai, Qigong (Harbin Institute of Technology, (China) Central Iron and Steel Research Institute, Beijing, (China))

    1992-03-01

    Ti2AlNb intermetallics are presently heat-treated and subjected to compressive loading at various temperatures, in order to ascertain microstructure-mechanical behavior relationships. Heat-treated and oil-quenched samples exhibit beta phase; the 'O' phase transformation was restrained by quenching. The O phase increased with rising heat-treatment temperature. 10 refs.

  13. Charge and spin density in s-stable rare earth intermetallic compounds

    International Nuclear Information System (INIS)

    Graaf, H. de.

    1982-01-01

    This thesis deals with a study of the electronic structure of rare earth intermetallic compounds, in particular the electronic charge and spin density distribution. These are closely related to the properties of the rare earth ions, which carry the partly filled 4f shell. In chapter 1 a survey of the theory of hyperfine interaction as far as it has a bearing on the Moessbauer effect of 155 Gd and 151 Eu is given. Also some details of the Moessbauer spectra, which have practical importance are discussed. In chapter 2 the experimental set-up is described. Special attention is paid to the gamma radiation source and gamma detection requirements. In chapter 3 the author introduces the theoretical framework which will be used to interpret the measurements. In chapter 4 the results of the 155 Gd Moessbauer measurements are presented. Also it is discussed how the result can be understood in terms of the charge and spin density in rare earth intermetallic compounds. In order to lend support to the picture emerging from the previous chapter, in chapter 5 the conduction electron band structure of some representative Gd intermetallics is computed with an approximate semi-empirical LCAO method. The results are compared with those from chapter 4. Finally, in chapter 6, the 151 Eu resonance is used to investigate the temperature dependence of the hyperfine field and line width in the Eu intermetallic compounds Eu 2 Mg 17 and EuMg 5 . (Auth.)

  14. Investigations of intermetallic alloy hydriding mechanisms. Annual progress report, May 1 1979-April 30, 1980

    International Nuclear Information System (INIS)

    Livesay, B.R.; Larsen, J.W.

    1980-05-01

    Investigations are being conducted on mechanisms involved with the hydrogen-metal interactions which control the absorption and desorption processes in intermetallic compounds. The status of the following investigations is reported: modeling of hydride formation; microbalance investigations; microstructure investigations; flexure experiments; resistivity experiments; and nuclear backscattering measurements. These investigations concern fundamental hydrogen interaction mechanisms involved in storage alloys

  15. Fe-Zn intermetallic phases prepared by diffusion annealing and spark-plasma sintering

    Czech Academy of Sciences Publication Activity Database

    Pokorný, P.; Cinert, Jakub; Pala, Zdeněk

    2016-01-01

    Roč. 50, č. 2 (2016), s. 253-256 ISSN 1580-2949 R&D Projects: GA ČR GB14-36566G Institutional support: RVO:61389021 Keywords : Fe-Zn intermetallics * spark-plasma sintering * diffusion annealing * phase composition * hardness Subject RIV: JK - Corrosion ; Surface Treatment of Materials Impact factor: 0.436, year: 2016

  16. X-Ray Diffraction of Intermetallic Compounds: A Physical Chemistry Laboratory Experiment

    Science.gov (United States)

    Varberg, Thomas D.; Skakuj, Kacper

    2015-01-01

    Here we describe an experiment for the undergraduate physical chemistry laboratory in which students synthesize the intermetallic compounds AlNi and AlNi3 and study them by X-ray diffractometry. The compounds are synthesized in a simple one-step reaction occurring in the solid state. Powder X-ray diffractograms are recorded for the two compounds…

  17. Hydrogen trapping properties of Zr-based intermetallic compounds in the presence of CO contaminant gas

    Energy Technology Data Exchange (ETDEWEB)

    Prigent, Jocelyn [Chimie Metallurgie des Terres Rares, ICMPE-UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais (France); Latroche, Michel, E-mail: latroche@icmpe.cnrs.fr [Chimie Metallurgie des Terres Rares, ICMPE-UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais (France); Leoni, Elisa; Rohr, Valentin [AREVA NC, 1, rue des Herons, 78182 Montigny Le Bretonneux (France)

    2011-09-15

    Research highlights: > Hydrogen absorption in the presence of carbon monoxide is reported for several Zr rich intermetallic compounds. > Absorption rates have been determined and compared for pure and CO-containing hydrogen gases. > Using intermetallic compounds as getter materials in the presence of contaminant gases has been demonstrated. - Abstract: Intermetallic compounds, as hydrogen getters, are considered to control the quantity of hydrogen generated in radioactive waste packaging. The compounds ZrCo, Zr{sub 2}Fe and a Zr-rich Zr-Ti-V alloy have been chosen as they form very stable hydrides at ambient temperature. However, other gases are produced in the packaging such as carbon monoxide, a gas known to poison the surface of intermetallic compounds and to hinder the hydrogen sorption reaction. The three Zr-based compounds have been first characterized regarding their metallurgical state and their gas sorption properties toward pure hydrogen. Then, the sorption properties of the activated materials have been studied using a mixture of 5 vol.% CO + 95 vol.% H{sub 2}. We demonstrated that though the presence of CO sharply slows down the reaction rate the activated compounds still show significant sorption properties. Therefore, the presence of contaminant gases is not detrimental for the target application.

  18. MD study of primary damage in L10 TiAl structural intermetallics

    International Nuclear Information System (INIS)

    Voskoboinikov, Roman E.

    2013-01-01

    Computer modelling by molecular dynamics has been applied to study the radiation damage created in collision cascades in L1 0 TiAl intermetallic compound. Either Al or Ti primary knock-on atoms (PKA) with energy 5 keV ⩽ E PKA ⩽ 20 keV were introduced in the intermetallic crystals at temperatures ranging from 100 K to 900 K. At least 24 different cascade for each (E PKA , T, PKA type) set were modelled in order to simulate a random spatial and temporal distribution of PKAs and provide statistical reliability of the results. The total yield of more than 760 simulated cascades is the largest yet reported for this binary intermetallic material. A comprehensive treatment of the modelling results has been carried out. The number of Frenkel pairs, fraction of Al and Ti vacancies, self-interstitial atoms and anti-sites as a function of (E PKA , T, PKA type) has been established. Preferred formation of Al self-interstitial atoms has been detected in L1 0 TiAl structural intermetallics exposed to irradiation

  19. Design fundamentals of high temperature composites, intermetallics, and metal-ceramics systems

    International Nuclear Information System (INIS)

    Lin, R.Y.; Chang, Y.A.; Reddy, R.G.; Liu, C.T.

    1996-01-01

    Papers collected in this volume contain the most recent findings worldwide on composites, intermetallics, joining of advanced materials and processing of materials. Fundamental issues which are valuable for industrial applications in designing engineering components are addressed. Separate abstracts were prepared for 32 papers in this volume

  20. Pressure effect on magnetic and magnetotransport properties of intermetallic and colossal magnetoresistance oxide compounds

    Czech Academy of Sciences Publication Activity Database

    Arnold, Zdeněk; Ibarra, M. R.; Algarabel, P. A.; Marquina, C.; De Teresa, J. M.; Morellon, L.; Blasco, J.; Magen, C.; Prokhnenko, Olexandr; Kamarád, Jiří; Ritter, C.

    2005-01-01

    Roč. 17, - (2005), S3035-S3055 ISSN 0953-8984 Institutional research plan: CEZ:AV0Z10100521 Keywords : pressure effect * intermetallic compounds * magnetic properties * magnetic phase transitions * magnetotransport properties * oxides Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.145, year: 2005

  1. Magnetic anisotropy in intermetallic compounds containing both uranium and 3d-metal

    Czech Academy of Sciences Publication Activity Database

    Andreev, Alexander V.; Tereshina, Evgeniya; Gorbunov, Denis; Šantavá, Eva; Šebek, Josef; Žáček, Martin; Homma, Y.; Shiokawa, Y.; Satoh, I.; Yamamura, Y.; Komatsubara, T.; Watanabe, K.; Koyama, K.

    2013-01-01

    Roč. 114, č. 9 (2013), s. 727-733 ISSN 0031-918X R&D Projects: GA ČR GAP204/12/0150 Institutional support: RVO:68378271 Keywords : uranium intermetallics * magnetic anisotropy * ferromagnetism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.605, year: 2013

  2. FIB-SEM investigation of trapped intermetallic particles in anodic oxide films on AA1050 aluminium

    DEFF Research Database (Denmark)

    Jariyaboon, Manthana; Møller, Per; Dunin-Borkowski, Rafal E.

    2011-01-01

    Purpose - The purpose of this investigation is to understand the structure of trapped intermetallics particles and localized composition changes in the anodized anodic oxide film on AA1050 aluminium substrates. Design/methodology/approach - The morphology and composition of Fe-containing intermet...

  3. Friction Melt Bonding: An innovative process for aluminium-steel lap joints

    Directory of Open Access Journals (Sweden)

    Simar Aude

    2013-11-01

    Full Text Available A new process based on Friction Stir Welding has been developed to weld dissimilar metals, particularly steel and aluminum, in a lap-joint configuration. In this Friction Melt Bonding process, frictional heat generated by the rotating and translating tool brings about local and transient melting (Figure 1. Welding then occurs owing to controlled reactivity and solidification at the interface between the two plates. With an adequate choice of the welding parameters, low alloy steel and aluminium alloys have been successfully welded. Characterisation of the microstructure was systematically performed to highlight the influence of the process parameters, particularly the temperature cycle, on the steel-Al interface. The thickness of the intermetallic layer varies from a couple of micrometers to tens of micrometers depending on the advancing speed of the tool (Fig. 2. The lap shear properties of the joints were also investigated and analysed based on the morphology of the intermetallic layer.

  4. Vacancies and atomic processes in intermetallics - From crystals to quasicrystals and bulk metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Hans-Eckhardt [Institute of Theoretical and Applied Physics, Stuttgart University, Pfaffenwaldring 57, 70569 Stuttgart (Germany); Baier, Falko [Voith Turbo Comp., Alexanderstr. 2, 89552 Heidenheim (Germany); Mueller, Markus A. [GFT Technologies A. G., Filderhauptstr. 142, 70599 Stuttgart (Germany); Reichle, Klaus J. [Philipp-Matthaeus-Hahn School, Jakob-Beutter-Str. 15, 72336 Balingen (Germany); Reimann, Klaus [NXP Semiconductors, Central Research and Development, High Tech Campus 4, 5656 AE Eindhoven (Netherlands); Rempel, Andrey A. [Institute of Solid State Chemistry, Russian Academy of Sciences, Ul. Pervomaiskaya 91, 620041 Ekaterinburg (Russian Federation); Sato, Kiminori [Tokyo Gakugei University, Nukuikita 4-1-1, Koganei, Tokyo 184-8501 (Japan); Ye, Feng [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, 30 Xue Yuan Road, Beijing 100083 (China); Zhang, Xiangyi [Yanshan University, Qinhuangdao 066004 (China); Sprengel, Wolfgang [Institute of Materials Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria)

    2011-10-15

    A review is given on atomic vacancies in intermetallic compounds. The intermetallic compounds cover crystalline, quasicrystalline, and bulk metallic glass (BMG) structures. Vacancies can be specifically characterized by their positron lifetimes, by the coincident measurement of the Doppler broadening of the two quanta emitted by positron-electron annihilation, or by time-differential dilatometry. By these techniques, high concentrations and low mobilities of thermal vacancies were found in open-structured B2 intermetallics such as FeAl or NiAl, whereas the concentrations of vacancies are low and their mobilities high in close-packed structure as, e.g., L1{sub 2}-Ni{sub 3}Al. The activation volumes of vacancy formation and migration are determined by high-pressure experiments. The favorable sublattice for vacancy formation is found to be the majority sublattice in Fe{sub 61}Al{sub 39} and in MoSi{sub 2}. In the icosahedral quasicrystal Al{sub 70}Pd{sub 21}Mn{sub 9} the thermal vacancy concentration is low, whereas in the BMG Zr{sub 57}Cu{sub 15.4}Ni{sub 12.6}Nb{sub 3}Al{sub 10} thermal vacancies are found in high concentrations with low mobilities. This may determine the basic mechanisms of the glass transition. Making use of the experimentally determined vacancy data, the main features of atomic diffusion studies in crystalline intermetallics, in quasicrystals, and in BMGs can be understood. Manfred Faehnle and his group have substantially contributed to the theoretical understanding of vacancies and diffusion mechanisms in intermetallics. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Interface structure of Be/DSCu diffusion bonding

    Energy Technology Data Exchange (ETDEWEB)

    Makino, T.; Iwadachi, T. [NGK Insulators Ltd., Nagoya (Japan)

    1998-01-01

    Beryllium is used as plasma facing components of the first wall on ITER. Dispersion-Strengthened Copper (DSCu) is used as heat sink material by joining to Be because DSCu has high thermal conductivity and strength. In this study, Be/DSCu diffusion bonding tests using the interlayer of Al, Ni, Nb, Ti, Zr and Be-Cu alloy have been conducted to choose the suitable interlayer materials. As a result of the shear strength tests, Be/DSCu joints by using Be-Cu alloy interlayer showed the strength of about 200 MPa. Diffusion bonding tests using Be-Cu alloy interlayer or no interlayer (direct bonding) at the range of temperature from 600degC to 850degC have been conducted to identify the effect of bonding temperature and time on interface formation and strength. The thickness of diffusion layer was proportional to a square root of bonding time by diffusion controlled process. The shear strength is controlled by the formation of intermetallic layer at Be side. (author)

  6. Pulse Current Assisted TLP Bonding of SiCP/Al Composites Sheet Using Powders Interlayer

    Directory of Open Access Journals (Sweden)

    WANG Bo

    2017-06-01

    Full Text Available The powders interlayer was applied for transient liquid phase (TLP bonding of SiCp/Al composites using pulse current heating. Pulse current got though the joint with powder interlayer and generated the effect of Joule heat and spark plasma sintering to achieve the TLP bonding of SiCp/Al composites sheet. The results show that there is the good TLP bonded joint without defects under the conditions of vacuum:1.39×103 Pa; Pulse current density: 115 A/mm2; holding time: 15-60 min; original pressure: 0.5 MPa. The results reveal the dense joint without pores composed of the Al-based solid solution, pure Ti zone, Al2Cu, and Al3Ti intermetallic phase. Furthermore, the thermal and isothermal effects of pulse current on in situ synthesis of TLP bonded joints of SiCp/Al composites using mixed Al-Cu-Ti powder interlayer are analyzed and discussed. According to microstructure of joint, pulse current promote to in situ form the intermetallic compound, which can provide higher mechanical properties of joint.

  7. Transient liquid phase bonding of magnesium alloys AZ31 using nickel coatings and high frequency induction heat sintering

    Directory of Open Access Journals (Sweden)

    A.N. AlHazaa

    2016-04-01

    Full Text Available Transient liquid phase (TLP bonding process was applied to join magnesium alloy AZ31 samples with minimum microstructural changes. The magnesium samples were coated by 5 μm nickel prior to the TLP bonding. Bonding conditions of 8 MPa uniaxial pressure and 520 °C bonding temperature were applied for all bonds at various bonding times. The microstructure across the joint regions was examined as a function of bonding time (5–60 min. Investigating the change in Ni contents was examined by EDS line scan. It was noticed that Ni coating could not be observed by SEM for bonds made at 30 and 60 min due to complete dissolution of the Ni coating. Second phase particles containing Mg2Ni intermetallics were observed by X-ray Photoelectron Spectroscopy (XPS near the joint region. The shear strength of the bonds initially increases with the increase in bonding time till 20 min. On the other hand, with bonding times over 20 min the shear strength decreases. Therefore the optimum bonding time at the conditions applied was concluded to be 20 min.

  8. Hydrogen Bonding to Alkanes: Computational Evidence

    DEFF Research Database (Denmark)

    Hammerum, Steen; Olesen, Solveig Gaarn

    2009-01-01

    The structural, vibrational, and energetic properties of adducts of alkanes and strong cationic proton donors were studied with composite ab initio calculations. Hydrogen bonding in [D-H+ H-alkyl] adducts contributes to a significant degree to the interactions between the two components, which...... are stronger in adducts of isobutane and in adducts of stronger acids. Intramolecular hydrogen bonding in protonated long-chain alcohols manifests itself in the same manner as intermolecular hydrogen bonding and can be equally strong. Udgivelsesdato: 12 juni 2009...

  9. An investigation on microstructure evolution and mechanical properties during transient liquid phase bonding of stainless steel 316L to Ti–6Al–4V

    Energy Technology Data Exchange (ETDEWEB)

    Zakipour, Shahrokh [Department of Materials Engineering, Tehran Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Halvaee, Ayoub; Amadeh, Ahmad Ali [School of Metallurgy and Materials Engineering, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of); Samavatian, Majid, E-mail: m.samavatian@srbiau.ac.ir [Department of Materials Engineering, Tehran Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Khodabandeh, Alireza [Department of Materials Engineering, Tehran Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of)

    2015-03-25

    Highlights: • Transient liquid phase bonding of SS316L to Ti–6Al–4V was studied. • A vacuum furnace was used to prevent oxidation during the bonding process. • Diffusion of Fe, Cu and Ti at the interface led to formation of eutectic phases. • The maximum shear strength reached to 220 MPa for the bond with 50 μm thick interlayer at 900 °C. - Abstract: Transient liquid phase bonding mechanism of two dissimilar alloys stainless steel 316L and Ti–6Al–4V using pure Cu interlayer with different thicknesses was studied. In order to characterize the microstructure and compositional changes in the joint zone, scanning electron microscopy equipped with energy dispersive spectroscopy and X-ray diffraction have been applied. Microhardness and shear strength tests have been performed to investigate mechanical properties of the joints. The results showed that there are various intermetallic compounds at the interface caused by interdiffusion of Ti, Fe and Cu across the joint zone. Furthermore, increasing the interlayer thickness led to incompletion of bonding process in 60 min. The maximum shear strength of 220 MPa has been attained for the bond made at 900 °C. With the rise in bonding temperature to 960 °C, a reduction in bond strength occurs attributed to increase in width of joint zone and formation of more brittle intermetallic compounds at the interface.

  10. DETERMINANTS OF ORI001 TYPE GOVERNMENT BOND

    Directory of Open Access Journals (Sweden)

    Yosandi Yulius

    2011-09-01

    Full Text Available The need to build a strong bond market is amenable, especially after the 1997 crises. This paper analyzes the influence of deposit interest rate, foreign exchange rates, and Composite Stock Price Index on yield-to-maturity of Bond Series Retail ORI001, employing monthly data from Bloomberg information service, 2006(8 to 2008(12, using Generalized Autoregressive Conditional Heteroscedasticity type models. It finds the evidence that deposit interest rate and exchange rate have positive significant influence on the bond, and that stock index has a negative significant influence on the bond. It also finds that Deposit Interest Rate, exchange rate, and the stock index significantly influence the bond altogether.Keywords: Interest rate, exchange rate, composite stock price index, yield-to-maturity, bondJEL classification numbers: G12, G15

  11. Processing and mechanical behaviour of TiAl/NiAl intermetallic composites produced by cryogenic mechanical alloying

    International Nuclear Information System (INIS)

    Mao, Scott X.; McMinn, N.A.; Wu, N.Q.

    2003-01-01

    Cryogenic mechanical alloying of intermetallic powders has been used to produce TiAl/NiAl intermetallic composites. High-energy milling of prealloyed titanium aluminide and nickel aluminide powders at liquid nitrogen temperature results in the stable non-equilibrium mixtures with a fine grain size. Subsequent consolidation by uniaxial hot pressing produces unusual intermetallic composites. Powders and consolidated materials are characterised using microscopy and X-ray diffraction (XRD). Mechanical properties are evaluated by small punch testing and through microindentation measurement. It has been found that no new phase is formed during milling of intermetallic mixtures. Consolidated powders have exhibited exceptionally high hardness. The low fracture toughness of consolidated materials is attributed to the formation of ternary phases during consolidation

  12. Chemical Frustration. A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Fredrickson, Daniel C [Univ. of Wisconsin, Madison, WI (United States)

    2015-06-23

    Final technical report for "Chemical Frustration: A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases" funded by the Office of Science through the Materials Chemistry Program of the Office of Basic Energy Sciences.

  13. The strong reactions of Lewis-base noble-metals with vanadium and other acidic transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Ebbinghaus, Bartley B. [Univ. of California, Berkeley, CA (United States)

    1991-05-01

    The noble metals often thought of as unreactive solids,react strongly with nearly 40% of the elements in the periodictable: group IIIB-VB transition metals, lanthanides, theactinides, and group IIIA-IVA non-transition metals. These strong reactions arise from increased bonding/electron transfer fromnonbonding electrons d electron pairs on the noble metal tovacant orbitals on V, etc. This effect is a generalized Lewis acid-base interaction. The partial Gibbs energy of V in the noblemetals has been measured as a function of concentration at a temperature near 1000C. Thermodynamics of the intermetallics are determined by ternary oxide equilibria, ternary carbide equilibria, and the high-temperature galvanic cell technique. These experimental methods use equilibrated solid composite mixtures in which grains of V oxides or of V carbides are interspersed with grains of V-NM(noble-metal) alloys. In equilibrium the activity of V in the oxide or the carbide equals the activity in the alloy. Consequently, the thermodynamics available in the literature for the V oxides and V carbides are reviewed. Test runs on the galvanic cell were attempted. The V oxide electrode reacts with CaF2, ThO2, YDT(0.85ThO2-0.15YO1.5), and LDT(0.85ThO2- 0.15LaO1.5) to interfere with the measured data observed toward the beginning of a galvanic cell experiment are the most accurate. The interaction of vanadium at infinite dilution in the noble-metals was determined.

  14. The strong reactions of Lewis-base noble-metals with vanadium and other acidic transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Ebbinghaus, B.B.

    1991-05-01

    The noble metals often thought of as unreactive solids,react strongly with nearly 40% of the elements in the periodictable: group IIIB-VB transition metals, lanthanides, theactinides, and group IIIA-IVA non-transition metals. These strong reactions arise from increased bonding/electron transfer fromnonbonding electrons d electron pairs on the noble metal tovacant orbitals on V, etc. This effect is a generalized Lewis acid-base interaction. The partial Gibbs energy of V in the noblemetals has been measured as a function of concentration at a temperature near 1000C. Thermodynamics of the intermetallics are determined by ternary oxide equilibria, ternary carbide equilibria, and the high-temperature galvanic cell technique. These experimental methods use equilibrated solid composite mixtures in which grains of V oxides or of V carbides are interspersed with grains of V-NM(noble-metal) alloys. In equilibrium the activity of V in the oxide or the carbide equals the activity in the alloy. Consequently, the thermodynamics available in the literature for the V oxides and V carbides are reviewed. Test runs on the galvanic cell were attempted. The V oxide electrode reacts with CaF[sub 2], ThO[sub 2], YDT(0.85ThO[sub 2]-0.15YO[sub 1.5]), and LDT(0.85ThO[sub 2]- 0.15LaO[sub 1.5]) to interfere with the measured data observed toward the beginning of a galvanic cell experiment are the most accurate. The interaction of vanadium at infinite dilution in the noble-metals was determined.

  15. Solid-liquid interdiffusion (SLID) bonding in the Au-In system: experimental study and 1D modelling

    Science.gov (United States)

    Deillon, Léa; Hessler-Wyser, Aïcha; Hessler, Thierry; Rappaz, Michel

    2015-12-01

    Au-In bonds with a nominal composition of about 60 at.% In were fabricated for use in wafer-level packaging of MEMS. The microstructure of the bonds was studied by scanning electron microscopy. The bond hermeticity was then assessed using oxidation of Cu thin discs predeposited within the sealed packages. The three intermetallic compounds AuIn2, AuIn and Au7In3 were observed. Their thickness evolution during bonding and after subsequent heat treatment was successfully modelled using a finite difference model of diffusion, thermodynamic data and diffusion coefficients calibrated from isothermal diffusion couples. 17% of the packages were hermetic and, although the origin of the leaks could not be clearly identified, it appeared that hermeticity was correlated with the unevenness of the metallisation and/or wafer and the fact that the bonds shrink due to density differences as the relative fractions of the various phases gradually evolve.

  16. Solid-liquid interdiffusion (SLID) bonding in the Au–In system: experimental study and 1D modelling

    International Nuclear Information System (INIS)

    Deillon, Léa; Hessler-Wyser, Aïcha; Hessler, Thierry; Rappaz, Michel

    2015-01-01

    Au–In bonds with a nominal composition of about 60 at.% In were fabricated for use in wafer-level packaging of MEMS. The microstructure of the bonds was studied by scanning electron microscopy. The bond hermeticity was then assessed using oxidation of Cu thin discs predeposited within the sealed packages. The three intermetallic compounds AuIn 2 , AuIn and Au 7 In 3 were observed. Their thickness evolution during bonding and after subsequent heat treatment was successfully modelled using a finite difference model of diffusion, thermodynamic data and diffusion coefficients calibrated from isothermal diffusion couples. 17% of the packages were hermetic and, although the origin of the leaks could not be clearly identified, it appeared that hermeticity was correlated with the unevenness of the metallisation and/or wafer and the fact that the bonds shrink due to density differences as the relative fractions of the various phases gradually evolve. (paper)

  17. X hydrogen bonds

    Indian Academy of Sciences (India)

    sigma electrons, can be hydrogen bond acceptors.11–14. The recent IUPAC report and recommendation on hydro gen bond have recognised the diverse nature of hydro- gen bond donors and acceptors.13,14. Unlike methane, hydrogen bonding by higher alkanes has not received much attention. One of the earlier works.

  18. Adhesive wafer bonding

    Science.gov (United States)

    Niklaus, F.; Stemme, G.; Lu, J.-Q.; Gutmann, R. J.

    2006-02-01

    Wafer bonding with intermediate polymer adhesives is an important fabrication technique for advanced microelectronic and microelectromechanical systems, such as three-dimensional integrated circuits, advanced packaging, and microfluidics. In adhesive wafer bonding, the polymer adhesive bears the forces involved to hold the surfaces together. The main advantages of adhesive wafer bonding include the insensitivity to surface topography, the low bonding temperatures, the compatibility with standard integrated circuit wafer processing, and the ability to join different types of wafers. Compared to alternative wafer bonding techniques, adhesive wafer bonding is simple, robust, and low cost. This article reviews the state-of-the-art polymer adhesive wafer bonding technologies, materials, and applications.

  19. Intermetallics in the Mg-Ca-Sn ternary system: Structural, vibrational, and thermodynamic properties from first principles

    Science.gov (United States)

    Arróyave, Raymundo; Liu, Zi-Kui

    2006-11-01

    A comprehensive analysis of the structural, vibrational, and thermodynamic properties of the intermetallic compounds in the Mg-Ca-Sn system has been performed via first-principles calculations. The enthalpies of formation at 0K for all the known structures in this ternary system are calculated and the results are favorably compared—within ˜5kJ/mol-atom in most cases—to the available experimental data. The vibrational contributions to the thermodynamic properties of fcc Ca, hcp Mg, β-Sn , Mg2Ca , Ca2Sn , CaSn , Ca5Sn3 , CaSn3 , Mg2Sn , and MgCaSn are calculated using the supercell method. In all cases, bond stiffening resulting from compound formation results in upward frequency shifts in the phonon density of states, yielding in turn negative entropies of formation. The effects of volume expansion on the vibrational properties were considered through the quasiharmonic approximation. Thermal electronic contributions were also calculated from the electronic density of states. The electronic degrees of freedom were found to be less important than volume expansion at determining the high temperature thermodynamic properties. The predicted thermodynamic properties of the structures agreed satisfactorily with the experimental data available. The relative importance of these two nonharmonic corrections is reversed when analyzing the formation properties. In all compounds, except for CaSn3 , it was found that the variation of both the formation enthalpies and entropies with temperature is negative. This results in a destabilization of the compounds with respect to their constituent elements as the temperature is increased.

  20. An Investigation of the Microstructure of an Intermetallic Layer in Welding Aluminum Alloys to Steel by MIG Process.

    Science.gov (United States)

    Nguyen, Quoc Manh; Huang, Shyh-Chour

    2015-12-02

    Butt joints of A5052 aluminum alloy and SS400 steel, with a new type of chamfered edge, are welded by means of metal inert gas welding and ER4043 Al-Si filler metal. The microhardness and microstructure of the joint are investigated. An intermetallic layer is found on the surface of the welding seam and SS400 steel sheet. The hardness of the intermetallic layer is examined using the Vickers hardness test. The average hardness values at the Intermetallic (IMC) layer zone and without the IMC layer zone were higher than that of the welding wire ER4043. The tensile strength test showed a fracture at the intermetallic layer when the tensile strength is 225.9 MPa. The tensile value test indicated the average of welds was equivalent to the 85% tensile strength of the A5052 aluminum alloy. The thickness of the intermetallic layers is non-uniform at different positions with the ranges from 1.95 to 5 μm. The quality of the butt joint is better if the intermetallic layer is minimized. The Si crystals which appeared at the welding seam, indicating that this element participated actively during the welding process, also contributed to the IMC layer's formation.

  1. An Investigation of the Microstructure of an Intermetallic Layer in Welding Aluminum Alloys to Steel by MIG Process

    Directory of Open Access Journals (Sweden)

    Quoc Manh Nguyen

    2015-12-01

    Full Text Available Butt joints of A5052 aluminum alloy and SS400 steel, with a new type of chamfered edge, are welded by means of metal inert gas welding and ER4043 Al-Si filler metal. The microhardness and microstructure of the joint are investigated. An intermetallic layer is found on the surface of the welding seam and SS400 steel sheet. The hardness of the intermetallic layer is examined using the Vickers hardness test. The average hardness values at the Intermetallic (IMC layer zone and without the IMC layer zone were higher than that of the welding wire ER4043. The tensile strength test showed a fracture at the intermetallic layer when the tensile strength is 225.9 MPa. The tensile value test indicated the average of welds was equivalent to the 85% tensile strength of the A5052 aluminum alloy. The thickness of the intermetallic layers is non-uniform at different positions with the ranges from 1.95 to 5 μm. The quality of the butt joint is better if the intermetallic layer is minimized. The Si crystals which appeared at the welding seam, indicating that this element participated actively during the welding process, also contributed to the IMC layer’s formation.

  2. Intermetallic alloys - overview on new materials developments for structural applications in West Germany

    International Nuclear Information System (INIS)

    Sauthoff, G.

    1990-01-01

    As a result of recent research on intermetallics for high-temperature applications several alloy systems which are based on intermetallics are regarded as promising for new materials developments, and respective developments have been initiated in West Germany. The present work is aimed a lightweight materials on one hand and at high-temperature high-strength materials on the other hand. The overview surveys the work in West Germany on γ-TiAl, Ti 5 Si 3 -based alloys, Mg 2 Si-Al, NiAl-Cr, Al 3 Nb-NiAl and Laves phase-based alloys, and the mechanical properties - strength, ductility and/or toughness - are described. (orig.) [de

  3. Thermochemical investigations on intermetallic UMe3 compounds (Me=Ru,Rh,Pd)

    International Nuclear Information System (INIS)

    Wijbenga, G.

    1981-10-01

    The subject of this thesis is the determination of the thermodynamic properties of the intermetallic compounds of uranium with the light platinum metals, ruthenium, rhodium and palladium. These intermetallics are formed as very stable compounds during fission in nuclear fuel by the reaction of the fission products Ru, Rh and Pd with the matrix. Methods for the preparation of URu 3 , URh 3 and UPd 3 , experiments showing the chemical reactivities of these compounds, and studies of the stoichiometry of hexagonal UPd 3 by X-ray diffraction of solubility experiments of UN and palladium in UPd 3 , are described. Thermodynamic properties of the UMe 3 compounds have been obtained using several experimental thermodynamic techniques: fluorine bomb calorimetry, low-temperature cryogenic calorimetry, high-temperature drop calorimetry and EMF measurements of reversible cells. (Auth.)

  4. Isothermal analysis of intermetallic MmNi5-xAlx in air decomposition processes

    International Nuclear Information System (INIS)

    Obregon, S.A.; Andrade Gamboa, J.J.; Esquivel, M.R.

    2012-01-01

    In this paper, it is analyzed the behavior of the degree of reaction as function of time α (t) of a sample of MmNi 4.3 Al 0.7 (Mm mischmetal = La 0.25 Ce 0.52 Nd 0.17 Pr 0.06 ) at different temperatures. The curves were obtained by isothermal calorimetric techniques. As a result of this study, it was observed that the kinetics of intermetallic can be separated into two main stages. At temperatures below 350 o C, the first stage is the oxidation of Mm and Al. At temperatures over 400 o C, the oxidation of Ni is also produced parallel to the above mentioned reactions. But the kinetics of the last one is at least three orders of magnitude slower. It was also observed that no thermal event occurs below 180 o C. It indicates that the intermetallic do not react at temperatures below this temperature value (author)

  5. Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

    International Nuclear Information System (INIS)

    Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

    2010-01-01

    Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

  6. Topological fingerprints for intermetallic compounds for the automated classification of atomistic simulation data

    International Nuclear Information System (INIS)

    Schablitzki, T; Rogal, J; Drautz, R

    2013-01-01

    We introduce a method to determine intermetallic crystal phases by creating topological fingerprints using coordination polyhedra. Many intermetallic crystal phases have complex structures that cannot be determined from the information of their nearest neighbour environment alone, but need information from a further reaching local environment. We obtain the coordination polyhedra of each atom in the structure and use this information in a topological fingerprint to determine the crystal phases in the structure as locally as possible. This allows us to analyse complex crystal phases like the topologically close-packed phases and multi-phase structures. With the information extracted from the coordination polyhedra and topological fingerprint, it is also possible to find and identify point and extended defects. Therefore, our method is able to track interface regions in multi-phase structures, and follow structural changes during phase transformations. (paper)

  7. Microstructures and mechanical properties of nanocrystalline NiTi intermetallics formed by mechanosynthesis

    Science.gov (United States)

    Arunkumar, S.; Kumaravel, P.; Velmurugan, C.; Senthilkumar, V.

    2018-01-01

    The formulation of nanocrystalline NiTi shape memory alloys has potential effects in mechanical stimulation and medical implantology. The present work elucidates the effect of milling time on the product's structural characteristics, chemical composition, and microhardness for NiTi synthesized by mechanical alloying for different milling durations. Increasing the milling duration led to the formation of a nanocrystalline NiTi intermetallic at a higher level. The formation of nanocrystalline materials was directed through cold fusion, fracturing, and the development of a steady state, which were influenced by the accumulation of strain energy. In the morphological study, uninterrupted cold diffusion and fracturing were visualized using transmission electron microscopy. Particle size analysis revealed that the mean particle size was reduced to 93 μm after 20 h of milling. The mechanical strength was enhanced by the formation of a nanocrystalline intermetallic phase at longer milling time, which was confirmed by the results of Vickers hardness analyses.

  8. Thermal Expansion of Ni3Al Intermetallic Compound: Experiment and Simulation

    International Nuclear Information System (INIS)

    Wang Hai-Peng; Lü Peng; Zhou Kai; Wei Bing-Bo

    2016-01-01

    The thermal expansion of Ni 3 Al intermetallic compound is determined by a thermal dilatometer and simulated by the molecular dynamics method. The results of the linear thermal expansion coefficients are presented from 200 K up to the maximum temperature of 1600 K. The single phase of Ni 3 Al intermetallic compound is confirmed by x-ray diffraction together with DSC melting and solidification peaks, from which the solidus and the liquidus temperatures are obtained to be 1660 and 1695 K, respectively. The measured linear thermal expansion coefficient increases from 1.5 × 10 −5 to 2.7 × 10 −5 K −1 in the experimental temperature range, in good agreement with the data obtained by the molecular dynamics simulation, just a slight difference from the temperature dependence coefficient. Furthermore, the atomic structure and position are presented to reveal the atom distribution change during thermal expansion of Ni 3 Al compound. (paper)

  9. Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Samantha M. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA; Walsh, James P. S. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA; Amsler, Maximilian [Department of Materials Science and Engineering, Northwestern University, Evanston IL 60208 USA; Malliakas, Christos D. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA; Yu, Tony [Center for Advanced Radiation Sources, The University of Chicago, Chicago IL 60637 USA; Goedecker, Stefan [Department of Physics, Universität Basel, Kingelbergstr. 82 4056 Basel Switzerland; Wang, Yanbin [Center for Advanced Radiation Sources, The University of Chicago, Chicago IL 60637 USA; Wolverton, Chris [Department of Materials Science and Engineering, Northwestern University, Evanston IL 60208 USA; Freedman, Danna E. [Department of Chemistry, Northwestern University, Evanston IL 60208 USA

    2016-09-26

    A new intermetallic compound, the first to be structurally identified in the Cu-Bi binary system, is reported. This compound is accessed by high-pressure reaction of the elements. Its detailed characterization, physical property measurements, and ab initio calculations are described. The commensurate crystal structure of Cu11Bi7 is a unique variation of the NiAs structure type. Temperature-dependent electrical resistivity and heat capacity measurements reveal a bulk superconducting transition at Tc=1.36 K. Density functional theory calculations further demonstrate that Cu11Bi7 can be stabilized (relative to decomposition into the elements) at high pressure and temperature. These results highlight the ability of high-pressure syntheses to allow for inroads into heretofore-undiscovered intermetallic systems for which no thermodynamically stable binaries are known.

  10. Discovery of a superconducting Cu-Bi intermetallic compound by high-pressure synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Samantha M.; Walsh, James P.S.; Malliakas, Christos D.; Freedman, Danna E. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Amsler, Maximilian; Wolverton, Chris [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Yu, Tony; Wang, Yanbin [Chicago Univ., IL (United States). Center for Advanced Radiation Sources; Goedecker, Stefan [Basel Univ. (Switzerland). Dept. of Physics

    2016-10-17

    A new intermetallic compound, the first to be structurally identified in the Cu-Bi binary system, is reported. This compound is accessed by high-pressure reaction of the elements. Its detailed characterization, physical property measurements, and ab initio calculations are described. The commensurate crystal structure of Cu{sub 11}Bi{sub 7} is a unique variation of the NiAs structure type. Temperature-dependent electrical resistivity and heat capacity measurements reveal a bulk superconducting transition at T{sub c}=1.36 K. Density functional theory calculations further demonstrate that Cu{sub 11}Bi{sub 7} can be stabilized (relative to decomposition into the elements) at high pressure and temperature. These results highlight the ability of high-pressure syntheses to allow for inroads into heretofore-undiscovered intermetallic systems for which no thermodynamically stable binaries are known.

  11. MCrAlY bond coat with enhanced yttrium

    Energy Technology Data Exchange (ETDEWEB)

    Jablonski, Paul D.; Hawk, Jeffrey A.

    2016-08-30

    One or more embodiments relates to a method of producing an MCrAlY bond coat comprising an MCrAlY layer in contact with a Y--Al.sub.2O.sub.3 layer. The MCrAlY layer is comprised of a .gamma.-M solid solution, a .beta.-MAl intermetallic phase, and Y-type intermetallics. The Y--Al.sub.2O.sub.3 layer is comprised of Yttrium atoms coordinated with oxygen atoms comprising the Al.sub.2O.sub.3 lattice. The method comprises depositing an MCrAlY material on a substrate, applying an Y.sub.2O.sub.3 paste, and heating the substrate in a non-oxidizing atmosphere at a temperature between 400-1300.degree. C. for a time sufficient to generate the Y--Al.sub.2O.sub.3 layer. Both the MCrAlY layer and the Y--Al.sub.2O.sub.3 layer have a substantial absence of Y.sub.2O.sub.3, YAG, and YAP phases.

  12. Control of interfacial intermetallic compounds in Fe–Al joining by Zn addition

    Energy Technology Data Exchange (ETDEWEB)

    Yang, J. [Key Laboratory of Robot and Welding Automation of Jiangxi Province, School of Mechanical and Electrical Engineering, Nanchang University, Nanchang, Jiangxi 330031 (China); Center for Advanced Materials Joining, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada); Li, Y.L., E-mail: liyulong1112ster@gmail.com [Key Laboratory of Robot and Welding Automation of Jiangxi Province, School of Mechanical and Electrical Engineering, Nanchang University, Nanchang, Jiangxi 330031 (China); Zhang, H. [Key Laboratory of Robot and Welding Automation of Jiangxi Province, School of Mechanical and Electrical Engineering, Nanchang University, Nanchang, Jiangxi 330031 (China); Guo, W. [Center for Advanced Materials Joining, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada); School of Mechanical Engineering and Automation, Beijing University of Aeronautics and Astronautics, Beijing 100191 (China); Zhou, Y. [Center for Advanced Materials Joining, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada)

    2015-10-01

    By Zn addition to the fusion zone, the interfacial intermetallic compounds (IMCs) of laser Al/steel joint changed from layered Fe{sub 2}Al{sub 5} and needle-like FeAl{sub 3} to layered Fe{sub 2}Al{sub 5−x}Zn{sub x} and dispersed FeZn{sub 10} with minor Al-rich amorphous phase. This resulted in an improvement in the joint strength and the change of failure mode.

  13. Magnetic-field induced phase transitions in intermetallic rare-earth ferrimagnets with a compensation point

    Czech Academy of Sciences Publication Activity Database

    Sabdenov, Ch.K.; Davydova, M.D.; Zvezdin, K.A.; Gorbunov, Denis; Tereshina, I. S.; Andreev, Alexander V.; Zvezdin, A. K.

    2017-01-01

    Roč. 43, č. 5 (2017), s. 551-558 ISSN 1063-777X R&D Projects: GA ČR GA16-03593S Institutional support: RVO:68378271 Keywords : rare -earth intermetallics * phase diagram * field-induced transition * magnetic anisotropy * high magnetic fields Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 0.804, year: 2016

  14. The role of zinc on the chemistry of complex intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Weiwei [Iowa State Univ., Ames, IA (United States)

    2014-01-01

    Combining experiments and electronic structure theory provides the framework to design and discover new families of complex intermetallic phases and to understand factors that stabilize both new and known phases. Using solid state synthesis and multiple structural determinations, ferromagnetic β-Mn type Co8+xZn12–x was analyzed for their crystal and electronic structures.

  15. Formation of Ni-Ti intermetallics during reactive sintering at 500-650 degrees C

    Czech Academy of Sciences Publication Activity Database

    Novák, P.; Pokorný, P.; Vojtěch, V.; Knaislová, A.; Školáková, A.; Čapek, J.; Karlík, M.; Kopeček, Jaromír

    2015-01-01

    Roč. 155, Apr (2015), s. 113-121 ISSN 0254-0584 R&D Projects: GA ČR(CZ) GA14-03044S Institutional support: RVO:68378271 Keywords : intermetallic compounds * powder metallurgy * electron microscopy * microstructure Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.101, year: 2015

  16. Gas-Solid Reaction Route toward the Production of Intermetallics from Their Corresponding Oxide Mixtures

    Directory of Open Access Journals (Sweden)

    Hesham Ahmed

    2016-08-01

    Full Text Available Near-net shape forming of metallic components from metallic powders produced in situ from reduction of corresponding pure metal oxides has not been explored to a large extent. Such a process can be probably termed in short as the “Reduction-Sintering” process. This methodology can be especially effective in producing components containing refractory metals. Additionally, in situ production of metallic powder from complex oxides containing more than one metallic element may result in in situ alloying during reduction, possibly at lower temperatures. With this motivation, in situ reduction of complex oxides mixtures containing more than one metallic element has been investigated intensively over a period of years in the department of materials science, KTH, Sweden. This review highlights the most important features of that investigation. The investigation includes not only synthesis of intermetallics and refractory metals using the gas solid reaction route but also study the reaction kinetics and mechanism. Environmentally friendly gases like H2, CH4 and N2 were used for simultaneous reduction, carburization and nitridation, respectively. Different techniques have been utilized. A thermogravimetric analyzer was used to accurately control the process conditions and obtain reaction kinetics. The fluidized bed technique has been utilized to study the possibility of bulk production of intermetallics compared to milligrams in TGA. Carburization and nitridation of nascent formed intermetallics were successfully carried out. A novel method based on material thermal property was explored to track the reaction progress and estimate the reaction kinetics. This method implies the dynamic measure of thermal diffusivity using laser flash method. These efforts end up with a successful preparation of nanograined intermetallics like Fe-Mo and Ni-W. In addition, it ends up with simultaneous reduction and synthesis of Ni-WN and Ni-WC from their oxide mixtures

  17. Thermal, structural, and magnetic studies of metals and intermetallic compounds. Final report

    International Nuclear Information System (INIS)

    Wallace, W.E.; Craig, R.S.; Rao, V.U.S.

    1976-01-01

    The powerful magnetism of certain intermetallics, e.g., SmCo 5 , has been established to originate with the powerful magnetic anisotropy of SmCo 5 , not its large magnetization. The anisotropy is, in turn, a crystal field effect. The crystal field interaction has been elucidated by the method of quantum mechanics. Studies of the systems RFe 2 , RFe 3 , RCo 3 , and R 2 Co 7 (R = a rare earth, Y or Th) reveals them to be important for hydrogen storage. In addition, important effects associated with hydrogenation of metals have been found--great enhancement of magnetization of certain systems (e.g., ErFe 2 ) and substantial increase in superconducting transition temperatures (e.g., Zr/sub .5/H/sub .5/V 2 ). Results of studies suggest that the surfaces of rare earth intermetallics are atypical. The spectrum of properties exhibited by the rare earth intermetallics suggests their utility in the efficient capture and storage of solar energy and the use of it for powering a vehicle. These aspects of the systems warrant further attention

  18. Formation of optical properties of intermetallic nanoclusters formed by sequential ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Zuhr, R.A. [Oak Ridge National Lab., TN (United States). Solid State Div.; Magruder, R.H. III; Anderson, T.S. [Vanderbilt Univ., Nashville, TN (United States). Dept. of Applied and Engineering Sciences

    1997-09-01

    Recent demonstrations that large third order nonlinear responses can be achieved in metal nanocluster glass composites are of significant interest because of their potential for use in all optical switching networks. These composite materials exhibit picosecond switching and relaxation times, thermal and chemical stability, high laser damage thresholds, and low two photon absorption. Ion implantation has been shown to be a useful fabrication method to form these nanoclusters in silica because of its ability to produce thin films in waveguide configurations containing a high volume fraction (> 1%) of metal colloids with well defined vertical and horizontal dimensional control. Using sequential ion implantation of more than one element the authors can modify the composition and microstructure of the composites by forming intermetallic metal colloids. In this work the authors report on the improved optical response of metallic nanocluster composites formed by sequential implantation of Cd and Ag and Sb and Ag. Characterization of the samples by transmission electron microscopy (TEM) reveals that approximately spherical metallic colloids are formed for all implanted species during the implantation process. Selected area diffraction patterns indicate that the colloids formed are intermetallic in composition. Linear optical absorption measurements made at room temperature in air from 900 to 200 nm show significant changes in both the magnitude and wavelength of the surface plasmon resonance. The formation of intermetallic nanoclusters results in changes in both the linear and nonlinear optical properties of the composite material that are not possible with single element colloids alone. The results are explained in terms of effective medium theory.

  19. Evolution, Interaction, and Intrinsic Properties of Dislocations in Intermetallics: Anisotropic 3D Dislocation Dynamics Approach

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qian [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    The generation, motion, and interaction of dislocations play key roles during the plastic deformation process of crystalline solids. 3D Dislocation Dynamics has been employed as a mesoscale simulation algorithm to investigate the collective and cooperative behavior of dislocations. Most current research on 3D Dislocation Dynamics is based on the solutions available in the framework of classical isotropic elasticity. However, due to some degree of elastic anisotropy in almost all crystalline solids, it is very necessary to extend 3D Dislocation Dynamics into anisotropic elasticity. In this study, first, the details of efficient and accurate incorporation of the fully anisotropic elasticity into 3D discrete Dislocation Dynamics by numerically evaluating the derivatives of Green's functions are described. Then the intrinsic properties of perfect dislocations, including their stability, their core properties and disassociation characteristics, in newly discovered rare earth-based intermetallics and in conventional intermetallics are investigated, within the framework of fully anisotropic elasticity supplemented with the atomistic information obtained from the ab initio calculations. Moreover, the evolution and interaction of dislocations in these intermetallics as well as the role of solute segregation are presented by utilizing fully anisotropic 3D dislocation dynamics. The results from this work clearly indicate the role and the importance of elastic anisotropy on the evolution of dislocation microstructures, the overall ductility and the hardening behavior in these systems.

  20. A new method to estimate the atomic volume of ternary intermetallic compounds

    International Nuclear Information System (INIS)

    Pani, M.; Merlo, F.

    2011-01-01

    The atomic volume of an A x B y C z ternary intermetallic compound can be calculated starting from volumes of some proper A-B, A-C and B-C binary phases. The three methods by Colinet, Muggianu and Kohler, originally used to estimate thermodynamic quantities, and a new method here proposed, were tested to derive volume data in eight systems containing 91 ternary phases with the known structure. The comparison between experimental and calculated volume values shows the best agreement both for the Kohler method and for the new proposed procedure. -- Graphical abstract: Synopsys: the volume of a ternary intermetallic compound can be calculated starting from volumes of some binary phases, selected by the methods of Colinet, Muggianu, Kohler and a new method proposed here. The so obtained values are compared with the experimental ones for eight ternary systems. Display Omitted Research highlights: → The application of some thermodinamic methods to a crystallochemical problem. → The prevision of the average atomic volume of ternary intermetallic phases. → The proposal of a new procedure to select the proper starting set of binary phases.

  1. Evolution of Intermetallic Phases in Soldering of the Die Casting of Aluminum Alloys

    Science.gov (United States)

    Song, Jie; Wang, Xiaoming; DenOuden, Tony; Han, Qingyou

    2016-06-01

    Most die failures are resulted from chemical reactions of dies and molten aluminum in the die casting of aluminum. The formation of intermetallic phases between a steel die and molten aluminum is investigated by stationary immersion tests and compared to a real die casting process. Three intermetallic phases are identified in the stationary immersion tests: a composite layer and two compact layers. The composite layer is a mixture of α bcc, Al, and Si phases. The α bcc phase changes in morphology from rod-like to spherical shape, while the growth rate of the layer changes from parabolic to linear pattern with immersion time. The first compact layer forms rapidly after immersion and maintains a relatively constant thickness. The second compact layer forms after 4 hours of immersion and exhibits parabolic growth with immersion time. In comparison, only a composite layer and the first compact layer are observed in a real die casting process. The fresh molten aluminum of high growth rate washes away the second intermetallic layer easily.

  2. Microstructure and Tribological Properties of Mo–40Ni–13Si Multiphase Intermetallic Alloy

    Science.gov (United States)

    Song, Chunyan; Wang, Shuhuan; Gui, Yongliang; Cheng, Zihao; Ni, Guolong

    2016-01-01

    Intermetallic compounds are increasingly being expected to be utilized in tribological environments, but to date their implementation is hindered by insufficient ductility at low and medium temperatures. This paper presents a novel multiphase intermetallic alloy with the chemical composition of Mo–40Ni–13Si (at %). Microstructure characterization reveals that a certain amount of ductile Mo phases formed during the solidification process of a ternary Mo–Ni–Si molten alloy, which is beneficial to the improvement of ductility of intermetallic alloys. Tribological properties of the designed alloy—including wear resistance, friction coefficient, and metallic tribological compatibility—were evaluated under dry sliding wear test conditions at room temperature. Results suggest that the multiphase alloy possesses an excellent tribological property, which is attributed to unique microstructural features and thereby a good combination in hardness and ductility. The corresponding wear mechanism is explained by observing the worn surface, subsurface, and wear debris of the alloy, which was found to be soft abrasive wear. PMID:28774106

  3. Magnetocrystalline anisotropy of RCo5 intermetallics: itinerant-electron contribution

    International Nuclear Information System (INIS)

    Steinbeck, L.; Richter, M.; Eschrig, H.

    2001-01-01

    The itinerant-state magnetocrystalline anisotropy energies (MAE) of RCo 5 (R=Y, La, Pr, Nd, Sm, Gd) have been determined by relativistic density-functional calculations in local spin density approximation, with additionally taking into account orbital polarization. The calculated MAEs are found to be strongly affected by changes of the lattice geometry (c/a ratio and volume) resulting from (a) uniaxial strain in YCo 5 and (b) the lanthanide contraction along the RCo 5 series

  4. Effect of thermal tempering on microstructure and mechanical properties of Mg-AZ31/Al-6061 diffusion bonding

    Energy Technology Data Exchange (ETDEWEB)

    Jafarian, Mojtaba [Young Researchers and Elite Club, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Rizi, Mohsen Saboktakin, E-mail: M.saboktakin@Pa.iut.ac.ir [Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of); Department of Industrial Engineering, Lenjan Branch, Islamic Azad University, Isfahan (Iran, Islamic Republic of); Jafarian, Morteza [Young Researchers and Elite Club, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Honarmand, Mehrdad [Department of Mechanical Engineering, Tiran Branch, Islamic Azad University, Isfahan (Iran, Islamic Republic of); Javadinejad, Hamid Reza; Ghaheri, Ali [Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of); Department of Industrial Engineering, Lenjan Branch, Islamic Azad University, Isfahan (Iran, Islamic Republic of); Bahramipour, Mohammad Taghi [Materials Engineering Department, Hakim Sabzevari University, Sabzevar, 397 (Iran, Islamic Republic of); Ebrahimian, Marzieh [Department of Materials Engineering, Isfahan University of Technology, Isfahan 8415683111 (Iran, Islamic Republic of); Department of Industrial Engineering, Lenjan Branch, Islamic Azad University, Isfahan (Iran, Islamic Republic of)

    2016-06-01

    The objective of this study is to investigate the effect of the types thermal tempering of aluminum alloy on microstructure and mechanical properties of AZ31-O Mg and Al 6061-T6 diffusion bonding. Using Optical Microscope (OM) and Scanning Electron Microscopes (SEM) equipped with EDS analysis and line scan the interfaces of joints were evaluated. The XRD analysis was carried out to characterize phase constitution near the interface zone. The mechanical properties of joints were measured using Vickers micro-hardness and shear strength. According to the results in bonding of AZ31-Mg/Al-6061-O, in less plastic deformation in magnesium alloy, diffusion rate of most magnesium atoms occurred to aluminum alloy and formation of diffusion zone with minimum micro-hardness (140 HV) and maximum shear strength (32 MPa) compared to Al 6061-T6/Mg-AZ31 bonding. Evaluation of fracture surfaces indicates an occurrence of failure from the brittle intermetallic phases. - Highlights: • Diffusion bonding AZ31 to Al-6061withoutany interlayer was successful. • Thermal tempered aluminum alloy plays a vital role in the mechanical properties of joint. • Less thickness of reaction layers and micro-hardness in bonding annealed Al- 6061 layers to AZ31 was achieved. • Fracture surfaces indicated that the onset of fracture from intermetallic compounds resulted in fracture of the cleavage.

  5. Die-Bonding of LED Chips on Ag/Cu Substrate Using Sn/Zn/Bi/Sn and Sn/Bi/Zn/Bi/Sn Bonding Systems

    Science.gov (United States)

    Tang, Y. K.; Lin, E. J.; Wang, J. Y.; Lin, Y. S.; Hu, Y. J.; Hsu, Y. C.; Liu, C. Y.

    2018-01-01

    Two multilayer bonding structures have been designed to die-bond light-emitting diode (LED) chips on Ag/Cu thermal substrate, viz. Sn/ZnBi/Sn bilayer solder structure and Sn/BiZnBi/Sn sandwich solder structure. Both multilayer bonding structures successfully achieved LED chip die-attachment on Ag/Cu thermal substrate at relatively low temperature of 150°C. However, voids formed more seriously at the bonding interface for the Sn/ZnBi/Sn bilayer structure. On the other hand, little voiding was seen at the bonding interface for the Sn/BiZnBi/Sn sandwich structure. The average shear strength of the Sn/ZnBi/Sn bilayer solder structure and Sn/BiZnBi/Sn sandwich solder structure was 25 MPa and 40 MPa, respectively. We believe that the improved shear strength results for the sandwich solder structure compared with the bilayer solder structure are mainly due to less voiding at the bonding interface, which weakens the interface joint shear strength. Also, the intermetallic compounds (IMCs) jointing region at the joint interface of the sandwich solder structure was larger than at the joint interface of the bilayer solder structure. We believe that the IMC jointing at the interface could improve the die-bonding strength, while the Zn content in the bonding structure promoted voiding at the bonding interface for both solder structures. Moreover, the Zn content in the bonding structure slightly reduced the IMC joint region at the bonding interface for both solder structures.

  6. The role of intermetallic phases in the corrosion of magnesium-rare earth alloys

    International Nuclear Information System (INIS)

    Silva Campos, Maria del Rosario

    2016-01-01

    A new concept to develop a RE based Mg alloy with improved corrosion resistance was followed in the current work. Based on subsequent characterisation steps to eliminate less suitable RE elements the best microstructure for improved corrosion resistance was identified. At first, the corrosion properties of selected RE elements were determined. Based on these results RE elements that have a potential to enhance the corrosion resistance of Mg-RE alloys were selected. Two aspects of RE elements were important for the selection: the electrochemical properties and the solid solubility in Mg. If the solubility limit of RE elements in the Mg matrix is exceeded, they form intermetallic phases with Mg. By performing galvanic coupling measurements the compatibility between Mg matrix and intermetallic phases were estimated. At that point three binary Mg-RE alloys systems remained (Mg-Ce, Mg-La, and Mg-Gd). To evaluate the influence of composition (amount of intermetallic phases) on the corrosion behaviour, four concentrations were cast with 1, 5, 10 and 15 wt. % of RE. Ce and La have a lower solid solubility in Mg matrix generating higher volume fraction of the secondary phases, thus higher dissolution rates in the binary Mg-RE alloys. While Gd with higher solid solubility shows a different behaviour. Additions of up to 10 wt. % Gd resulted in similar behaviour compared to 1 wt. % Gd addition. The most promising results were obtained for the Mg-Gd system with 10 wt. % Gd. Thus, the microstructure of this alloy was further modified by heat treatments to understand the influence of microstructural changes on corrosion behaviour. A ternary element was used to attempt further optimisation of the corrosion performance. Additions of Al, Zn, Ga and Y did not show any improvement in the corrosion resistance of Mg10Gd. This is due to increasing volume fractions of critical more noble phases and the microstructure dominated by eutectic phase formation. Thus galvanic effects became much

  7. The role of intermetallic phases in the corrosion of magnesium-rare earth alloys

    Energy Technology Data Exchange (ETDEWEB)

    Silva Campos, Maria del Rosario

    2016-07-25

    A new concept to develop a RE based Mg alloy with improved corrosion resistance was followed in the current work. Based on subsequent characterisation steps to eliminate less suitable RE elements the best microstructure for improved corrosion resistance was identified. At first, the corrosion properties of selected RE elements were determined. Based on these results RE elements that have a potential to enhance the corrosion resistance of Mg-RE alloys were selected. Two aspects of RE elements were important for the selection: the electrochemical properties and the solid solubility in Mg. If the solubility limit of RE elements in the Mg matrix is exceeded, they form intermetallic phases with Mg. By performing galvanic coupling measurements the compatibility between Mg matrix and intermetallic phases were estimated. At that point three binary Mg-RE alloys systems remained (Mg-Ce, Mg-La, and Mg-Gd). To evaluate the influence of composition (amount of intermetallic phases) on the corrosion behaviour, four concentrations were cast with 1, 5, 10 and 15 wt. % of RE. Ce and La have a lower solid solubility in Mg matrix generating higher volume fraction of the secondary phases, thus higher dissolution rates in the binary Mg-RE alloys. While Gd with higher solid solubility shows a different behaviour. Additions of up to 10 wt. % Gd resulted in similar behaviour compared to 1 wt. % Gd addition. The most promising results were obtained for the Mg-Gd system with 10 wt. % Gd. Thus, the microstructure of this alloy was further modified by heat treatments to understand the influence of microstructural changes on corrosion behaviour. A ternary element was used to attempt further optimisation of the corrosion performance. Additions of Al, Zn, Ga and Y did not show any improvement in the corrosion resistance of Mg10Gd. This is due to increasing volume fractions of critical more noble phases and the microstructure dominated by eutectic phase formation. Thus galvanic effects became much

  8. Shear bond strength of four commercial bonding systems to cp Ti.

    Science.gov (United States)

    Fujishima, A; Fujishima, Y; Ferracane, J L

    1995-03-01

    The purpose of this study was to evaluate the bond strength of veneering composite to commercially pure titanium (cp Ti) using several different bonding systems and a post-cure heat treatment. Four commercial bonding systems (Cesead, Kuraray; New Metacolor, Sun Medical; Silicaoater MD, Kulzer; Termoresin LC II, GC) were evaluated. Bonding was attempted with the opaque resin provided by each bonding system as well as with the New Metacolor opaque resin. New Metacolor resin composite was used for the veneering composite. Half of the specimens were subjected to a post-cure heat treatment at 100 degrees C for 30 min. The shear bond strengths were tested after aging the specimens in water at 37 degrees C for 1 d and also after thermocycling for 16.5 d (20,000 cycles). Strong bonds, exceeding 20 MPa, were achieved with all of the bonding systems with the exception of Thermoresin LC II, which is designed for noble metals. Bond strengths were only increased by the post-cure heat treatment for the New Metacolor system. Thermocycling caused a significant reduction in bond strength for the New Metacolor adn the Thermoresin LC II systems. The use of the New Metacolor opaque resin produced increased bonding for the Silicoater MD and the opaque resin produced increased bonding for the Silicoater MD and the Cesead systems, but the effect was eliminated after thermocycling. Strong, durable bonds can be achieved between composite and sandblasted cp Ti, thus enhancing the usefulness of this metal for esthetic resin-veneered crowns and other fixed prosthetics.

  9. In-situ study of morphology and growth of primary α-Al(FeMnCr)Si intermetallics in an Al-Si alloy

    International Nuclear Information System (INIS)

    Bjurenstedt, Anton; Casari, Daniele; Seifeddine, Salem; Mathiesen, Ragnvald H.; Dahle, Arne K.

    2017-01-01

    Morphology and growth of primary α-Al(FeMnCr)Si intermetallics have been studied in-situ during solidification of a commercial secondary aluminum alloy employing X-radiographic imaging combined with deep-etching. The α-Al(FeMnCr)Si intermetallics were found to nucleate primarily on surface oxides, and the continued growth yielded both rhombic dodecahedrons and elongated rod-like morphologies. Both morphologies were observed as hopper and massive types, where the hopper intermetallics had the higher growth rates. The growth rate, which determines the type, appears to be linked to nucleation frequency; higher nucleation frequency promoted massive types and lower nucleation frequency promoted hopper intermetallics.

  10. Australia's Bond Home Bias

    OpenAIRE

    Anil V. Mishra; Umaru B. Conteh

    2014-01-01

    This paper constructs the float adjusted measure of home bias and explores the determinants of bond home bias by employing the International Monetary Fund's high quality dataset (2001 to 2009) on cross-border bond investment. The paper finds that Australian investors' prefer investing in countries with higher economic development and more developed bond markets. Exchange rate volatility appears to be an impediment for cross-border bond investment. Investors prefer investing in countries with ...

  11. Variance Risk Premia on Stocks and Bonds

    DEFF Research Database (Denmark)

    Mueller, Philippe; Sabtchevsky, Petar; Vedolin, Andrea

    Investors in fixed income markets are willing to pay a very large premium to be hedged against shocks in expected volatility and the size of this premium can be studied through variance swaps. Using thirty years of option and high-frequency data, we document the following novel stylized facts......: First, exposure to bond market volatility is strongly priced with a Sharpe ratio of -1.8, 20% higher than what is observed in the equity market. Second, while there is strong co-movement between equity and bond market variance risk, there are distinct periods when the bond variance risk premium...... is different from the equity variance risk premium. Third, the conditional correlation between stock and bond market variance risk premium switches sign often and ranges between -60% and +90%. We then show that these stylized facts pose a challenge to standard consumption-based asset pricing models....

  12. Diffusion Bonding Beryllium to Reduced Activation Ferritic Martensitic Steel: Development of Processes and Techniques

    Science.gov (United States)

    Hunt, Ryan Matthew

    Only a few materials are suitable to act as armor layers against the thermal and particle loads produced by magnetically confined fusion. These candidates include beryllium, tungsten, and carbon fiber composites. The armor layers must be joined to the plasma facing components with high strength bonds that can withstand the thermal stresses resulting from differential thermal expansion. While specific joints have been developed for use in ITER (an experimental reactor in France), including beryllium to CuCrZr as well as tungsten to stainless steel interfaces, joints specific to commercially relevant fusion reactors are not as well established. Commercial first wall components will likely be constructed front Reduced Activation Ferritic Martensitic (RAFM) steel, which will need to be coating with one of the three candidate materials. Of the candidates, beryllium is particularly difficult to bond, because it reacts during bonding with most elements to form brittle intermetallic compounds. This brittleness is unacceptable, as it can lead to interface crack propagation and delamination of the armor layer. I have attempted to overcome the brittle behavior of beryllium bonds by developing a diffusion bonding process of beryllium to RAFM steel that achieves a higher degree of ductility. This process utilized two bonding aids to achieve a robust bond: a. copper interlayer to add ductility to the joint, and a titanium interlayer to prevent beryllium from forming unwanted Be-Cu intermetallics. In addition, I conducted a series of numerical simulations to predict the effect of these bonding aids on the residual stress in the interface. Lastly, I fabricated and characterized beryllium to ferritic steel diffusion bonds using various bonding parameters and bonding aids. Through the above research, I developed a process to diffusion bond beryllium to ferritic steel with a 150 M Pa tensile strength and 168 M Pa shear strength. This strength was achieved using a Hot Isostatic

  13. Chemical bond fundamental aspects of chemical bonding

    CERN Document Server

    Frenking, Gernot

    2014-01-01

    This is the perfect complement to ""Chemical Bonding - Across the Periodic Table"" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemica

  14. Determinants Of Ori001 Type Government Bond

    OpenAIRE

    Yulius, Yosandi

    2011-01-01

    The need to build a strong bond market is amenable, especially after the 1997 crises. This paper analyzes the influence of deposit interest rate, foreign exchange rates, and Composite Stock Price Index on yield-to-maturity of Bond Series Retail ORI001, employing monthly data from Bloomberg information service, 2006(8) to 2008(12), using Generalized Autoregressive Conditional Heteroscedasticity type models. It finds the evidence that deposit interest rate and exchange rate have positive signif...

  15. Shear bond strength evaluation of resin composite bonded to glass-ionomer cement using self-etching bonding agents with different pH: In vitro study

    Science.gov (United States)

    Kandaswamy, Deivanayagam; Rajan, Karunamoorthy Jeyavel; Venkateshbabu, Nagendrababu; Porkodi, Ilango

    2012-01-01

    Aim: To evaluate the bonding ability of composite to unset glass-ionomer cement (GIC) using different self-etching bonding systems. Materials and Methods: One hundred samples of composite bonded to unset GIC were prepared and were divided into four groups. In Group A, composite was bonded to unset GIC employing a strong (pH 1) self-etch primer was used. In Group B, intermediary strong (pH 1.4) self-etch primer was employed. In Group C and D, mild (pH 2) and (pH 2.2) self-etch primer was employed. Shear bond strength analysis was performed at a cross-head speed of 0.5 mm/min. Results: Statistical analysis performed with one way analysis of variance and Tukey's test showed that the bond strength of composite to unset GIC was significantly higher for the mild self-etch primer group. In addition, energy dispersive x-ray (EDX) analysis was used to determine the composition of various structural phases identified by FE-SEM along the GIC-bonding agent interfaces. Conclusion: Hence this present study concludes that clinically the use of mild self-etching bonding agent over unset GIC has improved bond strength compared to the use of strong and intermediate self-etching bonding agent. PMID:22368331

  16. Prediction of formation enthalpies for Al2X-type intermetallics using back-propagation neural network

    International Nuclear Information System (INIS)

    Sun, S.P.; Yi, D.Q.; Jiang, Y.; Wu, C.P.; Zang, B.; Li, Y.

    2011-01-01

    Research highlights: → An ANN was built to predict the formation enthalpies of Al 2 X-type intermetallics. → The values predicted by the ANN agree with experiments well to typically within 10%. → The method comparison suggests that our ANN method is superior to Miedema's model. → Some trends of formation enthalpies for Al 2 X-type intermetallics were observed. - Abstract: A back-propagation artificial neural network (ANN) was established to predict the formation enthalpies of Al 2 X-type intermetallics as a function of some physical parameters. These physical parameters include the electronegativity difference, the electron density difference, the atomic size difference, and the electron-atom ratio (e/a). The values calculated by the ANN method agree with experiments well to typically within 10%, indicating that the well-trained back-propagation (BP) neural network is feasible, and can precisely predict the formation enthalpies of Al 2 X-type intermetallics. The method comparison based on the predicted formation enthalpies suggests that our ANN method is superior to Miedema's model. Some trends of formation enthalpies for Al 2 X-type intermetallics were also observed from the ANN.

  17. Silver flip chip interconnect technology and solid state bonding

    Science.gov (United States)

    Sha, Chu-Hsuan

    In this dissertation, fluxless transient liquid phase (TLP) bonding and solid state bonding between thermal expansion mismatch materials have been developed using Ag-In binary systems, pure Au, Ag, and Cu-Ag composite. In contrast to the conventional soldering process, fluxless bonding technique eliminates any corrosion and contamination problems caused by flux. Without flux, it is possible to fabricate high quality joints in large bonding areas where the flux is difficult to clean entirely. High quality joints are crucial to bonding thermal expansion mismatch materials since shear stress develops in the bonded pair. Stress concentration at voids in joints could increases breakage probability. In addition, intermetallic compound (IMC) formation between solder and underbump metallurgy (UBM) is essential for interconnect joint formation in conventional soldering process. However, the interface between IMC and solder is shown to be the weak interface that tends to break first during thermal cycling and drop tests. In our solid state bonding technique, there is no IMC involved in the bonding between Au to Au, Ag and Cu, and Ag and Au. All the reliability issues related to IMC or IMC growth is not our concern. To sum up, ductile bonding media, such as Ag or Au, and proper metallic layered structure are utilized in this research to produce high quality joints. The research starts with developing a low temperature fluxless bonding process using electroplated Ag/In/Ag multilayer structures between Si chip and 304 stainless steel (304SS) substrate. Because the outer thin Ag layer effectively protects inner In layer from oxidation, In layer dissolves Ag layer and joints to Ag layer on the to-be-bonded Si chip when temperature reaches the reflow temperature of 166ºC. Joints consist of mainly Ag-rich Ag-In solid solution and Ag2In. Using this fluxless bonding technique, two 304SS substrates can be bonded together as well. From the high magnification SEM images taken at cross

  18. Probing Single Pt Atoms in Complex Intermetallic Al13Fe4.

    Science.gov (United States)

    Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang

    2018-03-21

    The atomic structure of a 0.2 atom % Pt-doped complex metallic alloy, monoclinic Al 13 Fe 4 , was investigated using a single crystal prepared by the Czochralski method. High-angle annular dark-field scanning transmission electron microscopy showed that the Pt atoms were dispersed as single atoms and substituted at Fe sites in Al 13 Fe 4 . Single-crystal X-ray structural analysis revealed that the Pt atoms preferentially substitute at Fe(1). Unlike those that have been reported, Pt single atoms in the surface layers showed lower activity and selectivity than those of Al 2 Pt and bulk Pt for propyne hydrogenation, indicating that the active state of a given single-atom Pt site is strongly dominated by the bonding to surrounding Al atoms.

  19. Testing strong interaction theories

    International Nuclear Information System (INIS)

    Ellis, J.

    1979-01-01

    The author discusses possible tests of the current theories of the strong interaction, in particular, quantum chromodynamics. High energy e + e - interactions should provide an excellent means of studying the strong force. (W.D.L.)

  20. Green and social bonds - A promising tool

    International Nuclear Information System (INIS)

    Blanc, Dominique; Barochez, Aurelie de; Cozic, Aela

    2013-11-01

    Issues of green bonds, socially responsible bonds and climate bonds are on the rise. Novethic estimates that some Euro 5 billion in such bonds has been issued since the start of 2013 by development banks, the main issuers of this type of debt. The figure is equal to over half of their total issues since 2007. Including local authorities, corporations and banks, a total Euro 8 billion of these bonds has been issued thus far in 2013. Given the size of the bond market, which the OECD estimated at Euro 95,000 billion in 2011, green and social bonds are still something of a niche but have strong growth potential. A number of large issues, from Euro 500 million to Euro 1 billion, were announced at the end of the year. Unlike conventional bonds, green and social bonds are not intended to finance all the activities of the issuer or refinance its debt. They serve instead to finance specific projects, such as producing renewable energy or adapting to climate change, the risk of which is shouldered by the issuer. This makes them an innovative instrument, used to earmark investments in projects with a direct environmental or social benefit rather than simply on the basis of the issuer's sustainable development policy. With financing being sought for the ecological transition, green and social bonds are promising instruments, sketching out at global level the shape of tools adapted to the financing of a green economy. On the strength of these advantages, the interest of responsible investors - the main target of green and social bond issuers - is growing fast. Judging by issuer press releases and the most commonly used currencies, the main subscribers today are US investors, among them CalSTRS and fund managers like Calvert Investment Management and Trillium Asset Management. European asset owners are also starting to focus on green and social bonds. A Novethic survey shows that 13% of them have already subscribed to such an issue or plan to do so. The present study

  1. The corrosion resistance of HVOF sprayed coatings with intermetallic phases in aggressive environments

    OpenAIRE

    B. Formanek; J. Cizner; B. Szczucka-Lasota; R. Przeliorz

    2006-01-01

    Purpose: The cyclic corrosion behavior of coatings with intermetallic matrix ( FeAl, NiAl and FeAl-TiAl) was investigated in aggressive gases.Design/methodology/approach: The composite coatings strengthened by a fine dispersive Al2O3 and other ceramic phases were thermally sprayed by HVOF method in Jet Kote 2 system. A kinetics test was carried out by periodic method for exposure times of up to 500 hours. Mass changes of the studied coatings during the corrosion test are presented. The surfac...

  2. Hydrogen Sorption Properties of the Intermetallic Mg2Ni Obtained by Using a Simoloyer Ball Milling

    Directory of Open Access Journals (Sweden)

    Bormann R.

    2010-07-01

    Full Text Available Intermetallic Mg2Ni was produced from elemental powder blends by mechanical alloying in a batch scale using a rotary horizontal mill (Simoloyer. Fast hydrogenation kinetics are obtained: 2.2 wt.% of hydrogen is absorbed within 10 minutes at 300 °C. Hydrogen sorption kinetics were further improved by adding Pd (1 mol% powder as a catalyst during ball milling. Crack formation and concomitant particle size reduction was observed by scanning electron microscopy after hydrogen cycling, which is attributed to internal stresses in the particles.

  3. Effect of Iron-Containing Intermetallic Particles on the Corrosion Behaviour of Aluminium

    DEFF Research Database (Denmark)

    Ambat, Rajan

    2006-01-01

    The effect of heat treatment on the corrosion behaviour of binary Al-Fe alloys containing iron at levels between 0.04 and 0.42 wt.% was investigated by electrochemical measurements in both acidic and alkaline chloride solutions. Comparing solution heat-treated and quenched materials with samples...... with {100} facets, and are observed to contain numerous intermetallic particles. Fine facetted filaments also radiate out from the periphery of pits. The results demonstrate that the corrosion of "pure" 99.96% Al is thus dominated by the role of iron, which is the main impurity, and its electrochemical...

  4. Primary Crystals of AlfeMnSi Intermetallics in the Cast AlSi Alloys

    Directory of Open Access Journals (Sweden)

    Warmuzek M.

    2017-09-01

    Full Text Available In this paper the results of the microscopic observations of the intermetallic AlFeMnSi phases crystals formed in the liquid hypo- and eutectic AlSi alloys containing transition metals 3.0 wt.% Fe and 0.1, 0.5 and 2.0 wt.% Mn were presented. The crystals morphology has been revealed on both polished and deep etched microsections. The different stages of the primary AlFeMnSi phases particles formation in the solidifying alloy and their final morphology were shown as influenced by cooling rate and alloy chemical composition.

  5. Amorphous phase formation in intermetallic Mg2Ni alloy synthesized by ethanol wet milling

    International Nuclear Information System (INIS)

    Wang, H.-W.; Chyou, S.-D.; Wang, S.-H.; Yang, M.-W.; Hsu, C.-Y.; Tien, H.-C.; Huang, N.-N.

    2009-01-01

    The hydriding/dehydriding properties of an intermetallic Mg 2 Ni alloy synthesized by wet ball milling in ethanol have been investigated. The appearance of the particle surface after different milling methods is one obvious difference. The alloyed powders prepared by either dry milling or wet milling under ethanol were characterized for phase content by X-ray diffractometer (XRD). The results show that two broad diffuse peaks, which are an ionic-organic-Mg amorphous material, appear in addition to the nickel element peaks. This unexpected amorphous phase has the special hydrogen absorbing/desorbing features.

  6. < c >-component plastic displacements in different microstructures of TiAl-base intermetallics

    Czech Academy of Sciences Publication Activity Database

    Orlová, Alena; Kuchařová, Květa; Dlouhý, Antonín

    2008-01-01

    Roč. 483, Sp.Iss.SI (2008), s. 109-112 ISSN 0921-5093. [International Conference on the Strength of Materials /14./. Xian, 04.06.2006-09.06.2006] R&D Projects: GA AV ČR(CZ) 1QS200410502; GA MŠk OC 522.100 Institutional research plan: CEZ:AV0Z20410507 Keywords : intermetallics * creep * transmission electron microscopy * titanium aluminides Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.806, year: 2008

  7. Reduced workfunction intermetallic seed layers allow growth of porous n-GaN and low resistivity, ohmic electron transport.

    Science.gov (United States)

    Bilousov, Oleksandr V; Carvajal, Joan J; Drouin, Dominique; Mateos, Xavier; Díaz, Francesc; Aguiló, Magdalena; O'Dwyer, Colm

    2012-12-01

    Porous GaN crystals have been successfully grown and electrically contacted simultaneously on Pt- and Au-coated silicon substrates as porous crystals and as porous layers. By the direct reaction of metallic Ga and NH(3) gas through chemical vapor deposition, intermetallic metal-Ga alloys form at the GaN-metal interface, allowing vapor-solid-solid seeding and subsequent growth of porous GaN. Current-voltage and capacitance-voltage measurements confirm that the intermetallic seed layers prevent interface oxidation and give a high-quality reduced workfunction contact that allows exceptionally low contact resistivities. Additionally, the simultaneous formation of a lower workfunction intermetallic permits ohmic electron transport to n-type GaN grown using high workfunction metals that best catalyze the formation of porous GaN layers and may be employed to seed and ohmically contact a range of III-N compounds and alloys for broadband absorption and emission.

  8. DFT Study on Intermetallic Pd–Cu Alloy with Cover Layer Pd as Efficient Catalyst for Oxygen Reduction Reaction

    Directory of Open Access Journals (Sweden)

    Ji Liu

    2017-12-01

    Full Text Available Detailed density functional theory (DFT calculations of the adsorption energies (Ead for oxygen on monolayer Pd on top of the Pd–Cu face-centered cubic (FCC alloy and intermetallic B2 structure revealed a linear correspondence between the adsorption energies and the d-band center position. The calculated barrier (Ebarrier for oxygen dissociation depends linearly on the reaction energy difference (ΔE. The O2 has a stronger adsorption strength and smaller barrier on the intermetallic Pd–Cu surface than on its FCC alloy surface. The room-temperature free energy (ΔG analysis suggests the oxygen reduction reaction (ORR pathways proceed by a direct dissociation mechanism instead of hydrogenation into OOH. These results might be of use in designing intermetallic Pd–Cu as ORR electrocatalysts.

  9. NiTi intermetallic surface coatings by laser metal deposition for improving wear properties of Ti-6Al-4V substrates

    CSIR Research Space (South Africa)

    Mokgalaka, MN

    2014-03-01

    Full Text Available The NiTi intermetallic possesses a number of good properties, such as high wear, oxidation, and corrosion resistance. This paper focuses on the deposition of NiTi intermetallic coatings on Ti6Al4V substrate by laser melting of Ti and Ni elemental...

  10. X-ray diffraction and high resolution transmission electron microscopy characterization of intermetallics formed in Fe/Ti nanometer-scale multilayers during thermal annealing

    International Nuclear Information System (INIS)

    Wu, Z.L.; Peng, T.X.; Cao, B.S.; Lei, M.K.

    2009-01-01

    Intermetallics formation in the Fe/Ti nanometer-scale multilayers magnetron-sputtering deposited on Si(100) substrate during thermal annealing at 623-873 K was investigated by using small and wide angle X-ray diffraction and cross-sectional high-resolution transmission electron microscopy. The Fe/Ti nanometer-scale multilayers were constructed with bilayer thickness of 16.2 nm and the sublayer thickness ratio of 1:1. At the annealing temperature of 623 K, intermetallics FeTi were formed by nucleation at the triple joins of α-Fe(Ti)/α-Ti interface and α-Ti grain boundary with an orientational correlation of FeTi(110)//α-Ti(100) and FeTi[001]//α-Ti[001] to adjacent α-Ti grains. The lateral growth of intermetallics FeTi which is dependent on the diffusion path of Ti led to a coalescence into an intermetallic layer. With an increase in the annealing temperature, intermetallics Fe 2 Ti were formed between the intermetallics FeTi and the excess Fe due to the limitation of Fe and Ti atomic concentrations, resulting in the coexistence of intermetallics FeTi and Fe 2 Ti. It was found that the low energy interface as well as the dominant diffusion path constrained the nucleation and growth of intermetallics during interfacial reaction in the nanometer-scale metallic multilayers.

  11. Intercalation chemistry and chemical bonding

    Science.gov (United States)

    Hagenmuller, Paul

    In contrast to amphoteric graphite, the layer-type oxides or chalcogenides generally play the role of acceptors in chemical or electrochemical intercalation reactions. Due to the more ionic character of the MO bonds, the structural evolution of the oxides may usually be explained on hand of electrostatic considerations, or in terms of cation oxido-reduction. For the more covalent chalcogenides, the occupancy of higher energy levels in the band structure by the transferred electrons constitute mostly a prevailing factor, giving rise to structural changes but also to modifications of the physical properties. The ionic character of the MO bonds accounts for the strong tendency of the oxides to undergo 2D→3D transformations as a result of intercalation processes. Such features are determining for the choice of the electrode materials for lithium-ion batteries as far as users require high electrode capacity, stability, and cyclability.

  12. A Correlation between the Ultimate Shear Stress and the Thickness Affected by Intermetallic Compounds in Friction Stir Welding of Dissimilar Aluminum Alloy–Stainless Steel Joints

    Directory of Open Access Journals (Sweden)

    Florent Picot

    2018-03-01

    Full Text Available In this work, Friction Stir Welding (FSW was applied to join a stainless steel 316L and an aluminum alloy 5083. Ranges of rotation and translation speeds of the tool were used to obtain welding samples with different heat input coefficients. Depending on the process parameters, the heat generated by FSW creates thin layers of Al-rich InterMetallic Compound (IMC mainly composed of FeAl3, identified by energy dispersive spectrometry. Traces of Fe2Al5 were also depicted in some samples by X-ray diffraction analysis and transmission electron microscopy. Monotonous tensile tests performed on the weld joint show the existence of a maximum mechanical resistance for a judicious choice of rotation and translation speeds. It can be linked to an affected zone of average thickness of 15 µm which encompass the presence of IMC and the chaotic mixing caused by plastic deformation in this area. A thickness of less than 15 µm is not sufficient to ensure a good mechanical resistance of the joint. For a thickness higher than 15 µm, IMC layers become more brittle and less adhesive due to high residual stresses which induces numerous cracks after cooling. This leads to a progressive decrease of the ultimate shear stress supported by the bond.

  13. Synthesis, Crystal Structure, and Magnetic Properties of Giant Unit Cell Intermetallics R117Co52+δSn112+γ (R = Y, La, Pr, Nd, Ho

    Directory of Open Access Journals (Sweden)

    Ping Chai

    2016-12-01

    Full Text Available Ternary intermetallics R117Co52+δSn112+γ (R = Y, La, Pr, Nd, and Ho have been prepared by arc-melting followed by annealing at 800 °C. All the compounds belong to the Tb117Fe52Ge112 structure type (space group Fm 3 ¯ m characterized by a complex giant cubic unit cell with a ~ 30 Å. The single-crystal structure determination of Y- and La-containing compounds reveals a significant structural disorder. A comparison of these and earlier reported crystal structures of R117Co52+δSn112+γ suggests that more extensive disorder occurs for structures that contain larger lanthanide atoms. This observation can be explained by the need to maintain optimal bonding interactions as the size of the unit cell increases. Y117Co56Sn115 exhibits weak paramagnetism due to the Co sublattice and does not show magnetic ordering in the 1.8–300 K range. Ho117Co55Sn108 shows ferromagnetic ordering at 10.6 K. Both Pr117Co54Sn112 and Nd117Co54Sn111 exhibit antiferromagnetic ordering at 17 K and 24.7 K, respectively, followed by a spin reorientation transition at lower temperature.

  14. Corrosion Behavior of Fe-40at.%Al-Based Intermetallic in 0.25 M H2SO4 Solution

    Science.gov (United States)

    Hernández-Hernández, M.; Liu, H. B.; Alvarez-Ramirez, J.; Espinosa-Medina, M. A.; Sosa, E.

    2017-12-01

    The electrochemical behavior of Fe-40at.%Al-based intermetallic microalloyed with 3 and 5 at.% Cu additions in 0.25 M H2SO4 solution over time was studied. A complementary study to characterize the surface morphology and semiquantitative chemical analysis of the corrosion products after 24 h of immersion was performed using scanning electron microscopy and x-ray energy dispersion spectrum. By means of electrochemical techniques, it was shown that Cu addition has a positive effect on corrosion resistance of Fe-40at.%Al-based intermetallic alloy. Additionally, the relatively high concentration of Cu consolidated the passive film of corrosion products and its stability.

  15. Copper wire bonding

    CERN Document Server

    Chauhan, Preeti S; Zhong, ZhaoWei; Pecht, Michael G

    2014-01-01

    This critical volume provides an in-depth presentation of copper wire bonding technologies, processes and equipment, along with the economic benefits and risks.  Due to the increasing cost of materials used to make electronic components, the electronics industry has been rapidly moving from high cost gold to significantly lower cost copper as a wire bonding material.  However, copper wire bonding has several process and reliability concerns due to its material properties.  Copper Wire Bonding book lays out the challenges involved in replacing gold with copper as a wire bond material, and includes the bonding process changes—bond force, electric flame off, current and ultrasonic energy optimization, and bonding tools and equipment changes for first and second bond formation.  In addition, the bond–pad metallurgies and the use of bare and palladium-coated copper wires on aluminum are presented, and gold, nickel and palladium surface finishes are discussed.  The book also discusses best practices and re...

  16. High temperature corrosion performance of FeAl intermetallic alloys in molten salts

    Energy Technology Data Exchange (ETDEWEB)

    Amaya, M.; Espinosa-Medina, M.A.; Porcayo-Calderon, J.; Martinez, L.; Gonzalez-Rodriguez, J.G

    2003-05-25

    The corrosion performance of FeAl base intermetallic alloys fabricated by spray-atomization and deposition during their immersion in molten sodium metavanadate (NaVO{sub 3}), 80% (wt.%) sodium pentoxide (V{sub 2}O{sub 5}) +20% sodium sulfate (Na{sub 2}SO{sub 4}) and pure Na{sub 2}SO{sub 4} in the temperature range of 600-1000 deg. C during 200 h was investigated. The experiments were realized by the weight loss method in the intermetallic alloys of composition FeAl40(at.%), FeAl40+0.1B and FeAl40+0.1B+10Al{sub 2}O{sub 3}. In all cases, the FeAl40+0.1B+10Al{sub 2}O{sub 3} alloy showed the best corrosion resistance in the temperatures interval studied here. This behavior was discussed in terms of the formation of a protective Al{sub 2}O{sub 3} layer and its dissolution by vanadate phases and internal sulfidation in the case of experiments carried out in pure Na{sub 2}SO{sub 4}. The morphology of the external layers and the corrosion products formed during the tests revealed that the corrosion rate of this type alloy depends on the corrosion compounds that are formed and the development of protective alumina scales.

  17. Influence of gas detonation spraying conditions on the quality of Fe-Al intermetallic protective coatings

    Directory of Open Access Journals (Sweden)

    Senderowski C.

    2007-01-01

    Full Text Available The aim of this paper is to present generalized research results and analyses of the quality of coatings produced with self decomposing Fe-Al intermetallic powders deposited on 1045 steel in the gas detonation spraying (GDS. A number of GDS experiments has been carried out with significantly changed operational spraying parameters (the volume of the fuel gas, carrier gas, distance and the frequency of spraying which define the process energy level directly influencing the quality of the coating. On the basis of the initial results the choice of the process parameters has been made to obtain the most advantageous set of geometrical and physical-mechanical properties of the coating material and substrate. The quality of the coatings was considered by taking into account the grain morphology, chemical content, phase inhomogeneity, cohesive porosity, as well as adhesive porosity in the substrate coating joint. The coating roughness was also considered. It was found that all GDS coatings produced are built with lamellar splats which result from the GDS process transformed (changed plasticity and geometry powder particles forming the deposit. The result of the GDS spraying parameters optimization is the lack of signs of melting of the material (even in microareas while the geometry of the deposited grains is considerably changed. This phenomenon has been considered as a proof of high plasticity of the GDS formed Fe-Al intermetallic coatings.

  18. Iron Intermetallic Phases in the Alloy Based on Al-Si-Mg by Applying Manganese

    Directory of Open Access Journals (Sweden)

    Podprocká R.

    2017-09-01

    Full Text Available Manganese is an effective element used for the modification of needle intermetallic phases in Al-Si alloy. These particles seriously degrade mechanical characteristics of the alloy and promote the formation of porosity. By adding manganese the particles are being excluded in more compact shape of “Chinese script” or skeletal form, which are less initiative to cracks as Al5FeSi phase. In the present article, AlSi7Mg0.3 aluminium foundry alloy with several manganese content were studied. The alloy was controlled pollution for achieve higher iron content (about 0.7 wt. % Fe. The manganese were added in amount of 0.2 wt. %, 0.6 wt. %, 1.0 wt. % and 1.4 wt. %. The influence of the alloying element on the process of crystallization of intermetallic phases were compared to microstructural observations. The results indicate that increasing manganese content (> 0.2 wt. % Mn lead to increase the temperature of solidification iron rich phase (TAl5FeSi and reduction this particles. The temperature of nucleation Al-Si eutectic increase with higher manganese content also. At adding 1.4 wt. % Mn grain refinement and skeleton particles were observed.

  19. Properties of vacancies type defects in intermetallic compounds of the Al-Mo system

    International Nuclear Information System (INIS)

    Pascuet, M.I; Fernandez, J.R; Monti, A.M

    2006-01-01

    There are five intermetallic compounds in the Al-Mo system that are stable at low temperatures. Of these, the richest phases in some of the two components are the compounds Al 12 Mo and AlMo 3 , whose Pearson symbols are cI26 and cP8, respectively. In both structures, the atoms of the minority component occupy positions bcc and each one of them is surrounded by 12 atoms first neighbors of the other component. These 13 atoms form icosahedron shaped units or heaps. Unlike what occurs in Al 12 Mo, the AlMo 3 heaps are superposed by sharing atoms from the majority component. The neighboring environment of the majority component is mixed but differs considerably in one or another intermetallic. In each structure, the sites occupied by any given species are crystallographically equivalent, that is, they can self generate from one of the positions and from the crystalline structure's elements of symmetry. This work studies the energy of vacancies and antisites in both compounds and the atomic-jump processes to vacant sites. Computer simulation techniques were used based on minimizing the system's energy. Many-body embedded-atom potentials were used to represent the atomic interactions. The potential mixture used resulted in an adjustment to the crystalline structure of the AlMo 3 phase at low temperatures and to its formation energy (cw)

  20. Microstructural and Material Quality Effects on Rolling Contact Fatigue of Highly Elastic Intermetallic Ball Bearings

    Science.gov (United States)

    DellaCorte, Christopher; Howard, S. Adam; Thomas, Fransua; Stanford, Malcolm K.

    2016-01-01

    Rolling element bearings made from highly-elastic intermetallic materials (HIM)s, such as 60NiTi, are under development for applications that require superior corrosion and shock resistance. Compared to steel, intermetallics have been shown to have much lower rolling contact fatigue (RCF) stress capability in simplified 3-ball on rod (ASTM STP 771) fatigue tests. In the 3-ball tests, poor material quality and microstructural flaws negatively affect fatigue life but such relationships have not been established for full-scale 60NiTi bearings. In this paper, 3-ball-on-rod fatigue behavior of two quality grades of 60NiTi are compared to the fatigue life of full-scale 50mm bore ball bearings made from the same materials. 60NiTi RCF rods with material or microstructural flaws suffered from infant mortality failures at all tested stress levels while high quality 60NiTi rods exhibited no failures at lower stress levels. Similarly, tests of full-scale bearings made from flawed materials exhibited early surface fatigue and through crack type failures while bearings made from high quality material did not fail even in long-term tests. Though the full-scale bearing test data is yet preliminary, the results suggest that the simplified RCF test is a good qualitative predictor of bearing performance. These results provide guidance for materials development and to establish minimum quality levels required for successful bearing operation and life.

  1. Self-irradiation damage to the local structure of plutonium and plutonium intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Booth, C. H.; Jiang Yu; Medling, S. A. [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Wang, D. L. [Nuclear Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Costello, A. L.; Schwartz, D. S.; Mitchell, J. N.; Tobash, P. H. [Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Bauer, E. D. [Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); McCall, S. K.; Wall, M. A.; Allen, P. G. [Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

    2013-03-07

    The effect of self-irradiation damage on the local structure of {delta}-Pu, PuAl{sub 2}, PuGa{sub 3}, and other Pu intermetallics has been determined for samples stored at room temperature using the extended x-ray absorption fine-structure (EXAFS) technique. These measurements indicate that the intermetallic samples damage at a similar rate as indicated in previous studies of PuCoGa{sub 5}. In contrast, {delta}-Pu data indicate a much slower damage accumulation rate. To explore the effect of storage temperature and possible room temperature annealing effects, we also collected EXAFS data on a {delta}-Pu sample that was held at less than 32 K for a two month period. This sample damaged much more quickly. In addition, the measurable damage was annealed out at above only 135 K. Data from samples of {delta}-Pu with different Ga concentrations and results on all samples collected from different absorption edges are also reported. These results are discussed in terms of the vibrational properties of the materials and the role of Ga in {delta}-Pu as a network former.

  2. Thermodynamic analysis of Ti–Al–C intermetallics formation by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Sadeghi, E., E-mail: ehsansadeghi120@gmail.com; Karimzadeh, F.; Abbasi, M.H.

    2013-11-05

    Highlights: •Titanium carbide and γ-TiAl take place during mechanical alloying of Ti–Al–C system. •Intermetallic compound formation in Ti–Al, Ti–C and Al–C systems has the lowest free energy. •There is thermodynamic driving force to form Ti{sub 3}AlC{sub 2}, Ti{sub 2}AlC MAX phase. -- Abstract: In the present study the behavior of Ti–Al–C ternary system is investigated during mechanical alloying. The mixture of Ti, Al and C powders was used with initial stoichiometric composition of Ti{sub 3}AlC{sub 2}. X-ray diffraction (XRD) was used to characterize the milled powders and a thermodynamic analysis of the process was then carried out using Miedema model. This thermodynamic analysis showed that for all binary Ti–C, Al–C, Ti–Al systems and ternary Ti–Al–C systems, among all compositions, the thermodynamic driving force for intermetallic phase formation is much greater when compared with the formation of solid solutions or amorphous phases. Finally the reactions that are feasible to occur during mechanical alloying (MA) of Ti–Al–C system were investigated thermodynamically.

  3. Ceramic-intermetallic composites produced by mechanical alloying and spark plasma sintering

    CERN Document Server

    Cabanas-Moreno, J G; Martínez-Sanchez, R; Delgado-Gutierrez, O; Palacios-Gomez, J; Umemoto, M

    1998-01-01

    Nano-and microcomposites of intermetallic (Co/sub 3/Ti, AlCo/sub 2 /Ti) and ceramic (TiN, Ti(C, N), Al/sub 2/O/sub 3/) phases have been produced by spark plasma sintering (SPS) of powders resulting from mechanical alloying of Al-Co-Ti elemental powder mixtures. The mechanically alloyed powders consisted of mixtures of nanocrystalline and amorphous phases which, on sintering, transformed into complex microstructures of the intermetallic and ceramic phases. For Al contents lower than about 30 at% in the original powder mixtures, the use of SPS led to porosities of 1-2% in the sintered compacts and hardness values as high as ~1700 kg/mm/sup 2/; in these cases, the composite matrix was TiN and Ti(C, N), with the Al/sub 2/O/sub 3/ phase found as finely dispersed particles in the matrix and the Co /sub 3/Ti and AlCo/sub 2/Ti phases as interdispersed grains. (19 refs).

  4. Neural mechanisms of mother-infant bonding and pair bonding: Similarities, differences, and broader implications

    Science.gov (United States)

    Numan, Michael; Young, Larry J.

    2015-01-01

    Mother-infant bonding is a characteristic of virtually all mammals. The maternal neural system may have provided the scaffold upon which other types of social bonds in mammals have been built. For example, most mammals exhibit a polygamous mating system, but monogamy and pair bonding between mating partners occurs in ∼5% of mammalian species. In mammals, it is plausible that the neural mechanisms that promote mother-infant bonding have been modified by natural selection to establish the capacity to develop a selective bond with a mate during the evolution of monogamous mating strategies. Here we compare the details of the neural mechanisms that promote mother-infant bonding in rats and other mammals with those that underpin pair bond formation in the monogamous prairie vole. Although details remain to be resolved, remarkable similarities and a few differences between the mechanisms underlying these two types of bond formation are revealed. For example, amygdala and nucleus accumbens-ventral pallidum (NA-VP) circuits are involved in both types of bond formation, and dopamine and oxytocin action within NA appears to promote the synaptic plasticity that allows either infant or mating partner stimuli to persistently activate NA-VP attraction circuits, leading to an enduring social attraction and bonding. Further, although the medial preoptic area is essential for maternal behavior, its role in pair bonding remains to be determined. Our review concludes by examining the broader implications of this comparative analysis, and evidence is provided that the maternal care system may have also provided the basic neural foundation for other types of strong social relationships, beyond pair bonding, in mammals, including humans. PMID:26062432

  5. Destination bonding: Hybrid cognition using Instagram

    Directory of Open Access Journals (Sweden)

    Arup Kumar Baksi

    2015-01-01

    Full Text Available Empirical research has identified the phenomenon of destination bonding as a result of summated physical and emotional values associated with the destination. Physical values, namely natural landscape & other physical settings and emotional values, namely the enculturation processes, have a significant role to play in portraying visitors’ cognitive framework for destination preference. The physical values seemed to be the stimulator for bonding that embodies action or behavior tendencies in imagery. The emotional values were the conditions that lead to affective bonding and are reflected in attitudes for a place which were evident in text narratives. Social networking on virtual platforms offers the scope for hybrid cognitive expression using imagery and text to the visitors. Instagram has emerged as an application-window to capture these hybrid cognitions of visitors. This study focuses on assessing the relationship between hybrid cognition of visitors expressed via Instagram and their bond with the destination. Further to this, the study attempts to examine the impact of hybrid cognition of visitors on the behavioral pattern of prospective visitors to the destination. The study revealed that sharing of visual imageries and related text by the visitors is an expression of the physico-emotional bonding with the destination. It was further established that hybrid cognition strongly asserts destination bonding and has been also found to have moderating impact on the link between destination bonding and electronic-word-of-mouth.

  6. Microstructural evolution in the partial transient liquid phase diffusion bonding of Zircaloy-4 to stainless steel 321 using active titanium filler metal

    Energy Technology Data Exchange (ETDEWEB)

    Atabaki, M. Mazar, E-mail: m.mazaratabaki@gmail.co [Department of Materials Engineering, Faculty of Mechanical Engineering, University Technology Malaysia, 81310 (Malaysia); Institute for Materials Research, the School of Process, Environmental and Materials Engineering, Faculty of Engineering, University of Leeds, Leeds (United Kingdom)

    2010-11-30

    Microstructural evolution of the partial transient liquid phase diffusion bonded Zircaloy-4 and stainless steel 321 using an active Ti-base interlayer were studied at different temperatures. Additionally, simple analytical models were developed to predict the evolution of the interlayer and intermetallics during the bonding operation. Bonds were characterized by scanning electron microscopy and energy dispersive X-ray spectrometry. Precision measurement of the interlayer width was made as a function of the bonding temperature. The liquid film migration occurred as a result of chemical solubility differences between the stable and metastable phases. The formation and growth model of the intermetallic compounds at the interfaces of Zircaloy-4/Ti-base interlayer and stainless steel 321/Ti-base interlayer for controlling the bonding process was studied considering the diffusion kinetics and the thermodynamics. The evolution of the interlayer thickness indicated a good agreement between the calculation and experimental measurement. It was also demonstrated that the low isothermal solidification kinetic was not only due to the enrichment of the liquid phase with the base alloying elements such as Ti and Zr, but also the reduction of solid solubility limit of Cu in the base alloys contributed to the reduction of isothermal solidification kinetic.

  7. Microstructural evolution in the partial transient liquid phase diffusion bonding of Zircaloy-4 to stainless steel 321 using active titanium filler metal

    Science.gov (United States)

    Atabaki, M. Mazar

    2010-11-01

    Microstructural evolution of the partial transient liquid phase diffusion bonded Zircaloy-4 and stainless steel 321 using an active Ti-base interlayer were studied at different temperatures. Additionally, simple analytical models were developed to predict the evolution of the interlayer and intermetallics during the bonding operation. Bonds were characterized by scanning electron microscopy and energy dispersive X-ray spectrometry. Precision measurement of the interlayer width was made as a function of the bonding temperature. The liquid film migration occurred as a result of chemical solubility differences between the stable and metastable phases. The formation and growth model of the intermetallic compounds at the interfaces of Zircaloy-4/Ti-base interlayer and stainless steel 321/Ti-base interlayer for controlling the bonding process was studied considering the diffusion kinetics and the thermodynamics. The evolution of the interlayer thickness indicated a good agreement between the calculation and experimental measurement. It was also demonstrated that the low isothermal solidification kinetic was not only due to the enrichment of the liquid phase with the base alloying elements such as Ti and Zr, but also the reduction of solid solubility limit of Cu in the base alloys contributed to the reduction of isothermal solidification kinetic.

  8. Note: Anodic bonding with cooling of heat-sensitive areas

    DEFF Research Database (Denmark)

    Vesborg, Peter Christian Kjærgaard; Olsen, Jakob Lind; Henriksen, Toke Riishøj

    2010-01-01

    Anodic bonding of silicon to glass always involves heating the glass and device to high temperatures so that cations become mobile in the electric field. We present a simple way of bonding thin silicon samples to borosilicate glass by means of heating from the glass side while locally cooling heat......-sensitive areas from the silicon side. Despite the high thermal conductivity of silicon, this method allows a strong anodic bond to form just millimeters away from areas essentially at room temperature....

  9. Shape Bonding method

    Science.gov (United States)

    Pontius, James T. (Inventor)

    2010-01-01

    The present invention is directed to a method of bonding at least two surfaces together. The methods step of the present invention include applying a strip of adhesive to a first surface along a predefined outer boundary of a bond area and thereby defining a remaining open area there within. A second surface, or gusset plate, is affixed onto the adhesive before the adhesive cures. The strip of adhesive is allowed to cure and then a second amount of adhesive is applied to cover the remaining open area and substantially fill a void between said first and second surfaces about said bond area. A stencil may be used to precisely apply the strip of adhesive. When the strip cures, it acts as a dam to prevent overflow of the subsequent application of adhesive to undesired areas. The method results in a precise bond area free of undesired shapes and of a preferred profile which eliminate the drawbacks of the prior art bonds.

  10. Corporate Bonds in Denmark

    DEFF Research Database (Denmark)

    Tell, Michael

    2015-01-01

    Corporate financing is the choice between capital generated by the corporation and capital from external investors. However, since the financial crisis shook the markets in 2007–2008, financing opportunities through the classical means of financing have decreased. As a result, corporations have...... to think in alternative ways such as issuing corporate bonds. A market for corporate bonds exists in countries such as Norway, Germany, France, the United Kingdom and the United States, while Denmark is still behind in this trend. Some large Danish corporations have instead used foreign corporate bonds...... markets. However, NASDAQ OMX has introduced the First North Bond Market in December 2012 and new regulatory framework came into place in 2014, which may contribute to a Danish based corporate bond market. The purpose of this article is to present the regulatory changes in Denmark in relation to corporate...

  11. Corporate Bonds in Denmark

    DEFF Research Database (Denmark)

    Tell, Michael

    2015-01-01

    Corporate financing is the choice between capital generated by the corporation and capital from external investors. However, since the financial crisis shook the markets in 2007–2008, financing opportunities through the classical means of financing have decreased. As a result, corporations have...... markets. However, NASDAQ OMX has introduced the First North Bond Market in December 2012 and new regulatory framework came into place in 2014, which may contribute to a Danish based corporate bond market. The purpose of this article is to present the regulatory changes in Denmark in relation to corporate...... bonds. The purpose is further to analyse the tax consequences of issuing bonds in both a direct issue of bonds and through securitization....

  12. Intermetallic Pd 3 Pb nanowire networks boost ethanol oxidation and oxygen reduction reactions with significantly improved methanol tolerance

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Qiurong [School of Mechanical and Materials Engineering; Washington State University; Pullman; USA; Zhu, Chengzhou [School of Mechanical and Materials Engineering; Washington State University; Pullman; USA; Key Laboratory of Pesticide and Chemical Biology; Bi, Cuixia [Institute of Crystal Materials; Shandong University; Jinan 250100; P. R. China; Xia, Haibing [Institute of Crystal Materials; Shandong University; Jinan 250100; P. R. China; Engelhard, Mark H. [Environmental Molecular Sciences Laboratory; Pacific Northwest National Laboratory; Richland; USA; Du, Dan [School of Mechanical and Materials Engineering; Washington State University; Pullman; USA; Key Laboratory of Pesticide and Chemical Biology; Lin, Yuehe [School of Mechanical and Materials Engineering; Washington State University; Pullman; USA

    2017-01-01

    Intermetallic nanocrystals are currently receiving extensive attention due to their well-defined crystal structures, highly ordered atomic distribution and superior structural stability that endow them with optimized catalytic activities, stabilities and high selectivity for use as electrocatalysts for fuel cells.

  13. Multifunctional phenomena in rare-earth intermetallic compounds with a laves phase structure: giant magnetostriction and magnetocaloric effect

    Czech Academy of Sciences Publication Activity Database

    Tereshina, I.; Cwik, J.; Tereshina, Evgeniya; Politova, G.; Burkhanov, G.; Chzhan, V.; Ilyushin, A.; Miller, M.; Zaleski, A.; Nenkov, K.; Schultz, L.

    2014-01-01

    Roč. 50, č. 11 (2014), s. 2504604 ISSN 0018-9464 Institutional support: RVO:68378271 Keywords : giant magnetostriction * Laves phase structure * magnetic anisotropy * magnetocaloric effect * rare-earth intermetallic Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.386, year: 2014

  14. The back stresses in creep of a Fe–30Al–4Cr intermetallic alloy with addition of Zr

    Czech Academy of Sciences Publication Activity Database

    Dobeš, Ferdinand

    2008-01-01

    Roč. 59, č. 1 (2008), s. 59-62 ISSN 1359-6462 R&D Projects: GA ČR GA106/05/0409 Institutional research plan: CEZ:AV0Z20410507 Keywords : Intermetallic compound * Dislocation mobility * Mechanical properties Subject RIV: JG - Metallurgy Impact factor: 2.887, year: 2008

  15. Influence of severe plastic deformation on intermetallic particles in Mg-12wt.%Zn alloy investigated using transmission electron microscopy

    Czech Academy of Sciences Publication Activity Database

    Němec, Martin; Gärtnerová, Viera; Jäger, Aleš

    2016-01-01

    Roč. 119, Sep (2016), 129-136 ISSN 1044-5803 R&D Projects: GA ČR GBP108/12/G043 Institutional support: RVO:68378271 Keywords : Mg-Zn * severe plastic deformation * equal channel angular pressing * transmission electron microscopy * microstructure * intermetallic particles Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.714, year: 2016

  16. Enhanced cycling stability of hybrid Li-air batteries enabled by ordered Pd3Fe intermetallic electrocatalyst.

    Science.gov (United States)

    Cui, Zhiming; Li, Longjun; Manthiram, Arumugam; Goodenough, John B

    2015-06-17

    We report an ordered Pd3Fe intermetallic catalyst that exhibits significantly enhanced activity and durability for the oxygen reduction reaction under alkaline conditions. Ordered Pd3Fe enables a hybrid Li-air battery to exhibit the best reported full-cell cycling performance (220 cycles, 880 h).

  17. Microstructure and properties of Ti-Al intermetallic/Al2O3 layers produced on Ti6Al2Mo2Cr titanium alloy by PACVD method

    Science.gov (United States)

    Sitek, R.; Bolek, T.; Mizera, J.

    2018-04-01

    The paper presents investigation of microstructure and corrosion resistance of the multi-component surface layers built of intermetallic phases of the Ti-Al system and an outer Al2O3 ceramic sub-layer. The layers were produced on a two phase (α + β) Ti6Al2Mo2Cr titanium alloy using the PACVD method with the participation of trimethylaluminum vapors. The layers are characterized by a high surface hardness and good corrosion, better than that of these materials in the starting state. In order to find the correlation between their structure and properties, the layers were subjected to examinations using optical microscopy, X-ray diffraction analysis (XRD), surface analysis by XPS, scanning electron microscopy (SEM), and analyses of the chemical composition (EDS). The properties examined included: the corrosion resistance and the hydrogen absorptiveness. Moreover growth of the Al2O3 ceramic layer and its influence on the residual stress distribution was simulated using finite element method [FEM]. The results showed that the produced layer has amorphous-nano-crystalline structure, improved corrosion resistance and reduces the permeability of hydrogen as compared with the base material of Ti6Al2Mo2Cr -titanium alloy.

  18. DIFFUSION BONDING OF TITANIUM ALLOY TI-6AL-4V AND AISI 304 STAINLESS STEEL – AN EXPERIMENTAL INVESTIGATION

    Directory of Open Access Journals (Sweden)

    M. BALASUBRAMANIAN

    2015-10-01

    Full Text Available Titanium alloy Ti-6Al-4V and AISI 304 stainless steel were diffusion bonded at various temperatures and holding times. The experimental investigation of the process parameters of the diffusion bonded coupons was carried out. Lap shear tests were performed to determine the strength of the joint, and hardness measurements were taken to understand the hardness in the diffusion region. Diffusion bonding was performed from the lower temperature to the higher temperature considering melting point of the parent material. Hardness measurement at the diffusion layer is almost equal to the parent material. Optical microscopy examination was carried out to determine the quality of the joint and XRD analysis was carried out to confirm the formation of intermetallic compounds. The highest lap shear strength of 138.3 MPa was obtained at 800˚C at 60min holding time under 5 MPa pressure.

  19. The role of hydrogen bonds in the melting points of sulfonate-based protic organic salts

    DEFF Research Database (Denmark)

    Luo, Jiangshui

    2016-01-01

    there is evidence of bond formation [6]. Hydrogen bonds in the solid state fall into the classification of strong, moderate, and weak hydrogen bonds [7]. In molecular systems like H2O (vs. H2S) or NH3 (vs. PH3), strong hydrogen bonds lead to higher melting points. However, in organic salts, the situation may......There are three main types of interactions inside organic salts - electrostatic interaction, hydrogen bonding and van der Waals force [1-4]. While van der Waals force is relatively weak, it is hydrogen bonding and particularly electrostatic interaction that determine the lattice energies of ionic...

  20. The Bonding Situation in Metalated Ylides.

    Science.gov (United States)

    Scharf, Lennart T; Andrada, Diego M; Frenking, Gernot; Gessner, Viktoria H

    2017-03-28

    Quantum chemical calculations have been carried out to study the electronic structure of metalated ylides particularly in comparison to their neutral analogues, the bisylides. A series of compounds of the general composition Ph 3 P-C-L with L being either a neutral or an anionic ligand were analyzed and the impact of the nature of the substituent L and the total charge on the electronics and bonding situation was studied. The charge at the carbon atom as well as the dissociation energies, bond lengths, and Wiberg bond indices strongly depend on the nature of L. Here, not only the charge of the ligand but also the position of the charge within the ligand backbone plays an important role. Independent of the substitution pattern, the NBO analysis reveals the preference of unsymmetrical bonding situations (P=C-L or P-C=L) for almost all compounds. However, Lewis structures with two lone-pair orbitals at the central carbon atom are equally valid for the description of the bonding situation. This is confirmed by the pronounced lone-pair character of the frontier orbitals. Energy decomposition analysis mostly reveals the preference of several bonding situations, mostly with dative and ylidic electron-sharing bonds (e.g., P→C - -L). In general, the anionic systems show a higher preference of the ylidic bonding situations compared to the neutral analogues. However, in most of the cases different resonance structures have to be considered for the description of the "real" bonding situation. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  1. Strongly Correlated Topological Insulators

    Science.gov (United States)

    2016-02-03

    Strongly Correlated Topological Insulators In the past year, the grant was used for work in the field of topological phases, with emphasis on finding...surface of topological insulators. In the past 3 years, we have started a new direction, that of fractional topological insulators. These are materials...in which a topologically nontrivial quasi-flat band is fractionally filled and then subject to strong interactions. The views, opinions and/or

  2. Strong Cosmic Censorship

    Science.gov (United States)

    Isenberg, James

    2017-01-01

    The Hawking-Penrose theorems tell us that solutions of Einstein's equations are generally singular, in the sense of the incompleteness of causal geodesics (the paths of physical observers). These singularities might be marked by the blowup of curvature and therefore crushing tidal forces, or by the breakdown of physical determinism. Penrose has conjectured (in his `Strong Cosmic Censorship Conjecture`) that it is generically unbounded curvature that causes singularities, rather than causal breakdown. The verification that ``AVTD behavior'' (marked by the domination of time derivatives over space derivatives) is generically present in a family of solutions has proven to be a useful tool for studying model versions of Strong Cosmic Censorship in that family. I discuss some of the history of Strong Cosmic Censorship, and then discuss what is known about AVTD behavior and Strong Cosmic Censorship in families of solutions defined by varying degrees of isometry, and discuss recent results which we believe will extend this knowledge and provide new support for Strong Cosmic Censorship. I also comment on some of the recent work on ``Weak Null Singularities'', and how this relates to Strong Cosmic Censorship.

  3. Electronic structure and magnetic properties of Pr-Co intermetallics: ab initio FP-LAPW calculations and correlation with experiments

    Science.gov (United States)

    Bakkari, Karim; Fersi, Riadh; Kebir Hlil, El; Bessais, Lotfi; Thabet Mliki, Najeh

    2018-03-01

    First-principle calculations combining density functional theory and the full-potential linearized augmented plane wave (FP-LAPW) method are performed to investigate the electronic and magnetic structure of Pr2Co7 in its two polymorphic forms, (2:7 H) and (2:7 R), for the first time. This type of calculation was also performed for PrCo5 and PrCo2 intermetallics. We have computed the valence density of states separately for spin-up and spin-down states in order to investigate the electronic band structure. This is governed by the strong contribution of the partial DOS of 3d-Co bands compared to the partial DOS of the 4f-Pr bands. Such a high ferromagnetic state is discussed in terms of the strong spin polarization observed in the total DOS. The magnetic moments carried by the Co and Pr atoms located in several sites for all compounds are computed. These results mainly indicate that cobalt atoms make a dominant contribution to the magnetic moments. The notable difference in the atomic moments of Pr and Co atoms between different structural slabs is explained in terms of the magnetic characteristics of the PrCo2 and PrCo5 compounds and the local chemical environments of the Pr and Co atoms in different structural slabs of Pr2Co7. From spin-polarized calculations we have simulated the 3d and 4f band population to estimate the local magnetic moments. These results are in accordance with the magnetic moments calculated using the FP-LAPW method. In addition, the exchange interactions J ij are calculated and used as input for M(T) simulations. Involving the data obtained from the electronic structure calculations, the appropriate Padé Table is applied to simulate the magnetization M(T) and to estimate the mean-field Curie temperature. We report a fairly good agreement between the ab initio calculation of magnetization and Curie temperature with the experimental data.

  4. Electrochemical preparation of Al–Sm intermetallic compound whisker in LiCl–KCl Eutectic Melts

    International Nuclear Information System (INIS)

    Ji, De−Bin; Yan, Yong−De; Zhang, Mi−Lin; Li, Xing; Jing, Xiao−Yan; Han, Wei; Xue, Yun; Zhang, Zhi−Jian; Hartmann, Thomas

    2015-01-01

    Highlights: • The reduction process of Sm(III) was investigated in LiCl–KCl melt on an aluminum electrode at 773 K. • Al–Sm alloy with different phase structure (Al 2 Sm and Al 3 Sm) was prepared by potentiostatic electrolysis on an aluminum electrode with the change of electrolytic potentials and time in LiCl–KCl–SmCl 3 melts. • Al − Sm alloy containing whiskers (Al 4 Sm) was obtained by potentiostatic electrolysis (−2.10 V) on an aluminum electrode for 7 hours with the change of electrolytic temperature and cooling rate in LiCl–KCl–SmCl 3 (16.5 wt. %) melts. The results from micro–hardness test and potentiodynamic polarization test show the micro hardness and corrosion property are remarkably improved with the help of Al–Sm intermetallic compound whiskers. - Abstract: This work presents the electrochemical study of Sm(III) on an aluminum electrode in LiCl–KCl melts at 773 K by different electrochemical methods. Three electrochemical signals in cyclic voltammetry, square wave voltammetry, open circuit chronopotentiometry, and cathode polarization curve are attributed to different kinds of Al–Sm intermetallic compounds, Al 2 Sm, Al 3 Sm, and Al 4 Sm, respectively. Al–Sm alloy with different phase structure (Al 2 Sm and Al 3 Sm) could be obtained by the potentiostatic electrolysis with the change of electrolytic potentials and time. Al–Sm alloy containing whiskers (Al 4 Sm) was obtained by potentiostatic electrolysis (−2.10 V) on an aluminum electrode for 7 hours with the change of electrolytic temperature and cooling rate in LiCl–KCl–SmCl 3 (16.5 wt. %) melts. The XRD and SEM&EDS were employed to investigate the phase composition and microstructure of Al–Sm alloy. SEM analysis shows that lots of needle−like precipitates formed in Al–Sm alloy, and their ratios of length to diameter are found to be greater than 10 to 1. The TEM and electron diffraction pattern were performed to investigate the crystal structure of the

  5. Density functional theory, natural bond orbital and quantum theory of ...

    Indian Academy of Sciences (India)

    The sign of Hb depends on which contribution, potential or kinetic, will locally prevail on the BCP. The Lapla- cian is negative if the modulus of the potential energy outweighs two times the kinetic energy, which implies the covalent character of interaction, and it may con- cern covalent bonds as well as very strong H-bonds.

  6. Titanium Alloy Strong Back for IXO Mirror Segments

    Science.gov (United States)

    Byron, Glenn P.; Kai-Wang, Chan

    2011-01-01

    A titanium-alloy mirror-holding fixture called a strong back allows the temporary and permanent bonding of a 50 degree D263 glass x-ray mirror (IXO here stands for International X-ray Observatory). The strong back is used to hold and position a mirror segment so that mounting tabs may be bonded to the mirror with ultra-low distortion of the optical surface. Ti-15%Mo alloy was the material of choice for the strong back and tabs because the coefficient of thermal expansion closely matches that of the D263 glass and the material is relatively easy to machine. This invention has the ability to transfer bonded mounting points from a temporary location on the strong back to a permanent location on the strong back with minimal distortion. Secondly, it converts a single mirror segment into a rigid body with an acceptable amount of distortion of the mirror, and then maneuvers that rigid body into optical alignment such that the mirror segment can be bonded into a housing simulator or mirror module. Key problems are that the mirrors are 0.4-mm thick and have a very low coefficient of thermal expansion (CTE). Because the mirrors are so thin, they are very flexible and are easily distorted. When permanently bonding the mirror, the goal is to achieve a less than 1-micron distortion. Temperature deviations in the lab, which have been measured to be around 1 C, have caused significant distortions in the mirror segment.

  7. Transversely Compressed Bonded Joints

    DEFF Research Database (Denmark)

    Hansen, Christian Skodborg; Schmidt, Jacob Wittrup; Stang, Henrik

    2012-01-01

    The load capacity of bonded joints can be increased if transverse pressure is applied at the interface. The transverse pressure is assumed to introduce a Coulomb-friction contribution to the cohesive law for the interface. Response and load capacity for a bonded single-lap joint was derived using...... non-linear fracture mechanics. The results indicated a good correlation between theory and tests. Furthermore, the model is suggested as theoretical base for determining load capacity of bonded anchorages with transverse pressure, in externally reinforced concrete structures....

  8. Quadrupolar interactions and magneto-elastic effects in rare earth intermetallic compounds. Ch. 1

    International Nuclear Information System (INIS)

    Morin, P.; Schmitt, D.

    1990-01-01

    First the quantum hamiltonian is built, which describes both the one- and two-ion, spin and quadrupole couplings in systems of cubic, tetragonal and hexagonal symmetries. The power of the susceptibility formalism, which allows for independent determinations of the various coefficients, is emphasized. The main experimental evidence of quadrupolar orderings is presented and the quadrupolar consequences on the magnetic properties is given. The experimental techniques, which are based upon the susceptibility formalism, are illustrated, The magneto-elastic and pair interaction coefficients, which have been determined in the rare earth intermetallics, are reveiwed. Due to the anisotropic character of the magneto-elasticity, studies on single crystals are of fundamental importance and these are the only ones considered here. Finally an analysis of all these results from both a macroscopic and a microscopic point of view is given. (author). 282 refs.; 65 figs.; 24 tabs

  9. Intermetallic Cu3Sn Phase Layer on Electrode’s Tip of Galvanized Resistance Spot Welding

    Directory of Open Access Journals (Sweden)

    Muhammad Anis

    2010-10-01

    Full Text Available A resistance spot welding method is commonly used in automotive industries application. In a resistance spot welding method, the copper electrode has a significant role as an electric current carrier for joining thin metal sheet. This research was focused on studying the effect of tin layer at the electrode tip for joining galvanized steel sheet. The main variable of this research is in the thickness of the intermetallic Cu3Sn layer. The result showed that the introduction of tin layer less than 1 μm in thickness on the electrode tip gives a comparable shear strength and nugget diameter distribution with the unplated electrode tip.

  10. Free energy of melts and intermetallic compounds of binary alloys determined by a molecular dynamics approach.

    Science.gov (United States)

    Guerdane, M

    2014-02-01

    We present an atomistic approach aimed at determining the free energy g(liq) of binary alloy liquids, a quantity which governs the thermodynamics of phase transformations and whose evaluation has long been a challenge to modeling methods. Our approach, illustrated here for a metallic system model NiZr, combines two methods: the quasiharmonic approximation, applied for some existing (real or hypothetical) intermetallic compounds, and the liquid-solid coexistence conditions. The underlying equations for g(liq) are solved by means of a subregular-solution approximation. We demonstrate the high reliability of our calculated free energies in determining the phase diagram of a binary system and describing quantitatively the growth kinetics. The latter issue is illustrated by linking molecular dynamics simulations to phase-field modeling with regard to directional solidification and melting in a two-phase system [Ni(x)Zr(1-x)](liq)-Zr(cryst) out of chemical equilibrium.

  11. Effects of surface polishing and annealing on the optical conductivity of intermetallic compounds

    CERN Document Server

    Rhee, J Y

    1999-01-01

    The optical conductivity spectra of several intermetallic compounds were measured by spectroscopic ellipsometry. Three spectra were measured for each compound; just after the sample was mechanically polished, at high temperature, and after the sample was annealed at 110 .deg. C for at least one day and cooled to room temperature. An equiatomic FeTi alloy showed the typical effects of annealing after mechanical polishing of surface. The spectrum after annealing had a larger magnitude and sharper structures than the spectrum before annealing. We also observed shifts of peaks in the spectrum. A relatively low-temperature annealing gave rise to unexpectedly substantial effects, and the effects were explained by recrystallization and/or a disorder -> order transition of the surface of the sample which was damaged and, hence, became highly disordered by mechanical polishing. Similar effects were also observed when the sample temperature was lowered. The observed changes upon annealing could partly be explained by p...

  12. Highly stable carbon coated Mg2Si intermetallic nanoparticles for lithium-ion battery anode

    Science.gov (United States)

    Tamirat, Andebet Gedamu; Hou, Mengyan; Liu, Yao; Bin, Duan; Sun, Yunhe; Fan, Long; Wang, Yonggang; Xia, Yongyao

    2018-04-01

    Silicon is an ideal candidate anode material for Li-ion batteries (LIBs). However, it suffers from rapid capacity fading due to large volume expansion upon lithium insertion. Herein, we design and fabricate highly stable carbon coated porous Mg2Si intermetallic anode material using facile mechano-thermal technique followed by carbon coating using thermal vapour deposition (TVD), toluene as carbon source. The electrode exhibits an excellent first reversible capacity of 726 mAh g-1 at a rate of 100 mA g-1. More importantly, the electrode demonstrates high rate capability (380 mAh g-1 at high rate of 2 A g-1) as well as high cycle stability, with capacity retentions of 65% over 500 cycles. These improvements are attributable to both Mg supporting medium and the uniform carbon coating, which can effectively increase the conductivity and electronic contact of the active material and protects large volume alterations during the electrochemical cycling process.

  13. Application of feal intermetallic phase matrix based alloys in the turbine components of a turbocharger

    Directory of Open Access Journals (Sweden)

    J. Cebulski

    2015-01-01

    Full Text Available This paper presents a possible application of the state-of-the-art alloys based on the FeAl intermetallic phases as materials for the manufacture of heat-proof turbine components in an automobile turbocharger. The research was aimed at determining the resistance to corrosion of Fe40Al5CrTiB alloy in a gaseous environment containing 9 % O2 + 0,2 % HCl + 0,08 % SO2 + N2. First the kinetics of corrosion processes for the considered alloy were determined at the temperatures of 900 °C, 1 000 °C and 1 100 °C, which was followed by validation under operating conditions. To do so, the tests were carried out over a distance of 20 000 km. The last stage involved examination of the surfaces after the test drive. The obtained results are the basis for further research in this field.

  14. Molecular dynamics simulations of radiation damage in D019 Ti3Al intermetallic compound

    International Nuclear Information System (INIS)

    Voskoboinikov, Roman E.

    2013-01-01

    Molecular dynamics (MD) has been applied to simulate the radiation damage created in displacement cascades in D0 19 Ti 3 Al structural intermetallics. Collision cascades formed by the recoil of either Al or Ti primary knock-on atoms (PKA) with energy E PKA = 5, 10, 15 or 20 keV were considered in Ti 3 Al single crystals at T = 100, 300, 600 and 900 K. At least 24 different cascades for each (E PKA , T, PKA type) set were simulated. A comprehensive treatment of the modelling results has been carried out. We have evaluated the number of Frenkel pairs, fraction of Al and Ti vacancies, self-interstitial atoms and anti-sites as a function of (E PKA ,T, PKA type). Preferred formation of both Al vacancies and self-interstitial atoms in D0 19 Ti 3 Al exposed to irradiation has been detected

  15. Electronic structure of new MgCNi sub 3 superconductor and related intermetallic compounds

    CERN Document Server

    Shein, I R; Medvedeva, N I

    2001-01-01

    On the basis of self-congruent FP-LMTO method one investigated into band structure of a new MgCNi sub 3 perovskite-like superconductor. MgCNi sub 3 superconducting properties are linked with occurrence of density intensive peak of Ni3d-states near the Fermi level. Absence of superconductivity for MgC sub 1 sub - sub x Ni sub 3 nonstoichiometric compound is caused by system transition to magnetic state. One discussed possibilities to detect superconductivity for isostructural MgCNi sub 3 of ScBNi sub 3 , InBNi sub 3 , MgCCo sub 3 and MgCCu sub 3 intermetallic compounds

  16. Passivation characteristics of beta-FeAl intermetallic compound in sulphate solutions

    Energy Technology Data Exchange (ETDEWEB)

    Frangini, S.; De Cristofaro, N.; Lascovich, J.C.; Mignone, A. [ENEA, Casaccia (Italy). Dipt. Tecnologie Intersettoriali di Base

    1992-12-31

    The corrosion and passivation behaviour of a Fe-24 wt% Al intermetallic compound was studied in sulphate solutions using cyclic voltammetry and potentiodynamic curves, combined with x-ray photoelectron spectrocopy (XPS). The voltagrams performed in H{sub 2}SO{sub 4} 0.5M show the peak characteristics of the oxidation/reduction process of iron. The comparison of the anodic polarization curve of FeAI in acid solution with those of the pure elements shows the beneficial effect of Al when added to Fe in terms of both passive range and current. At higher pH (6.0 and 13.6), the FeAI passivates spontaneously. Preliminary studies of the passive film grown in air and anodically performed by XPS revealed the co-existence of iron and aluminium oxide, thus explaining the superior corrosion resistance of iron aluminides as compared with iron.

  17. Production of low oxygen contamination orthorhombic Ti-Al-Nb intermetallic foil

    International Nuclear Information System (INIS)

    Gill, S.C.; Peters, J.A.; Blatter, P.; Jaquet, J.C.; Morris, M.A.

    1996-01-01

    Aerospace industries continue the search for high performance materials, and recent years have seen rapid developments being made in the capabilities of Ti-Al based intermetallic alloys. Interest in these alloys is caused by their attractive combination of strength and density, but major drawbacks include brittleness at low temperature and sensitivity to interstitial contamination. Development of a relatively new class of alloys was stimulated in 1988 by the discovery of Banerjee et al. of a Ti-Al-Nb orthorhombic (O) phase based on the Ti 2 AlNb composition. Some important applications for these alloys require the use of foil ( 2 phase and leads to material embrittlement. ELIT (Extra Low Interstitial Transfer) pack-rolling, developed by Sulzer Innotec, offers a technique to avoid oxygen contamination

  18. Formation mechanism of pillar-shaped intermetallic compounds dispersed lead-free solder joint

    Science.gov (United States)

    Nakata, Y.; Hashimoto, T.; Kurasawa, M.; Hayashi, Y.; Shohji, I.

    2017-10-01

    Large area joining between a substrate and a heat sink is desirable for high performance power modules. An intermetallic compounds (IMCs) pillar dispersed solder joint has been developed as a highly durable joint to achieve large area joining. The aim of this study is to clarify the generation and growth mechanism of the IMC pillar during soldering process. The structural characteristic of the IMC pillar was also examined by cross-sectional observation. The area ratio of the IMC pillars in the cross section of the joint increased with increasing the joining temperature. The shape of the IMC pillar became finer when the cooling rate was fast. In addition, the IMC pillar grew along the cooling direction.

  19. Low-temperature thermal expansion of metastable intermetallic Fe-Cr phases

    International Nuclear Information System (INIS)

    Gorbunoff, A.; Levin, A.A.; Meyer, D.C.

    2009-01-01

    The thermal expansion coefficients (TEC) of metastable disordered intermetallic Fe-Cr phases formed in thin Fe-Cr alloy films prepared by an extremely non-equilibrium method of the pulsed laser deposition are studied. The lattice parameters of the alloys calculated from the low-temperature wide-angle X-ray diffraction (WAXRD) patterns show linear temperature dependencies in the temperature range 143-293 K and a deviation from the linearity at lower temperatures. The linear thermal expansion coefficients determined from the slopes of the linear portions of the temperature-lattice parameter dependencies differ significantly from phase to phase and from the values expected for the body-centered cubic (b.c.c.) Fe 1-x Cr x solid solutions. Strain-crystallite size analysis of the samples is performed. Predictions about the Debye temperature and the mechanical properties of the alloys are made.

  20. Crystal structure and electrical resistivity studies of Gd(Fe1-x Cox)2 intermetallics

    International Nuclear Information System (INIS)

    Onak, M.; Guzdek, P.; Stoch, P.; Chmist, J.; Bednarski, M.; Panta, A.; Pszczola, J.

    2007-01-01

    From X-ray analysis (295 K) it was found that the cubic, MgCu 2 -type, Fd3m crystal structure appears across the Gd(Fe 1-x Co x ) 2 series. Electrical resistivity measurements for the Gd(Fe 1-x Co x ) 2 intermetallics were performed in a wide temperature region and the parameters characterizing the resistivity dependence on temperature and composition were determined. The differential of the electrical resistivity against temperature was used to estimate Curie temperatures. The Curie temperature versus x, high and moderately increasing in the iron-rich area, rapidly drops in the cobalt-rich region. The obtained results are compared with the data known for the Dy(Fe 1-x Co x ) 2 series. The Curie temperature is related to both the number of 3d electrons and the de Gennes factor

  1. The creep properties of a low alloy ferritic steel containing an intermetallic precipitate dispersion

    International Nuclear Information System (INIS)

    Batte, A.D.; Murphy, M.C.; Edmonds, D.V.

    1976-01-01

    A good combination of creep rupture ductility and strength together with excellent long term thermal stability, has been obtained from a dispersion of intermetallic Laves phase precipitate in a non-transforming ferritic low alloy steel. The steel is without many of the problems currently associated with the heat affected zone microstructures of low alloy transformable ferritic steels, and can be used as a weld metal. Following suitable development to optimize the composition and heat treatment, such alloys may provide a useful range of weldable creep resistant steels for steam turbine and other high temperature applications. They would offer the unique possibility of easily achievable microstructural uniformity, giving good long term strength and ductility across the entire welded joint

  2. Angle-resolved and resonant photoemission spectroscopy of rare-earth and actinide intermetallics

    Science.gov (United States)

    Reihl, Bruno

    1985-07-01

    In this paper, some aspects of our angle-resolved and resonant photoemission work on rare-earth and actinide intermetallics will be summarized. The systems specifically mentioned are Gd(0001), UIr 3(100), UN(100), UO 2, α-γ- Ce 0.9Th 0.1, U xTh 1- xSb, USb xTe 1- x, UPd 3, UCu xNi 5- x, CeCu 2Si 2, UBe 13, U 2Zn 17 , SmAl 2, EuPd 13, YbBe 13, TmS, Yb xY 1- xAl 2, EuPd 2Si 2, TmSe, and UAs xSe 1- x.

  3. Mechanical Behavior and Fracture Properties of NiAl Intermetallic Alloy with Different Copper Contents

    Directory of Open Access Journals (Sweden)

    Tao-Hsing Chen

    2016-03-01

    Full Text Available The deformation behavior and fracture characteristics of NiAl intermetallic alloy containing 5~7 at% Cu are investigated at room temperature under strain rates ranging from 1 × 10−3 to 5 × 103 s−1. It is shown that the copper contents and strain rate both have a significant effect on the mechanical behavior of the NiAl alloy. Specifically, the flow stress increases with an increasing copper content and strain rate. Moreover, the ductility also improves as the copper content increases. The change in the mechanical response and fracture behavior of the NiAl alloy given a higher copper content is thought to be the result of the precipitation of β-phase (Ni,CuAl and γ'-phase (Ni,Cu3Al in the NiAl matrix.

  4. Phase transition of intermetallic TbPt at high temperature and high pressure

    Science.gov (United States)

    Qin, Fei; Wu, Xiang; Yang, Ke; Qin, Shan

    2018-04-01

    Here we present synchrotron-based x-ray diffraction experiments combined with diamond anvil cell and laser heating techniques on the intermetallic rare earth compound TbPt (Pnma and Z  =  4) up to 32.5 GPa and ~1800 K. The lattice parameters of TbPt exhibit continuous compression behavior up to 18.2 GPa without any evidence of phase transformation. Pressure-volume data were fitted to a third-order Birch-Murnaghan equation of state with V 0  =  175.5(2) Å3, {{K}{{T0}}}   =  110(5) GPa and K{{T0}}\\prime   =  3.8(7). TbPt exhibits anisotropic compression with β a   >  β b   >  β c and the ratio of axial compressibility is 2.50:1.26:1.00. A new monoclinic phase of TbPt assigned to the Pc or P2/c space group was observed at 32.5 GPa after laser heating at ~1800 K. This new phase is stable at high pressure and presented a quenchable property on decompression to ambient conditions. The pressure-volume relationship is well described by the second-order Birch-Murnaghan equation of state, which yields V 0  =  672(4) Å3, {{K}{{T0}}}   =  123(6) GPa, which is about ~14% more compressible than the orthorhombic TbPt. Our results provide more information on the structure and elastic property view, and thus a better understanding of the physical properties related to magnetic structure in some intermetallic rare earth alloys.

  5. The formation of intermetallic compounds during interdiffusion of Mg–Al/Mg–Ce diffusion couples

    International Nuclear Information System (INIS)

    Dai, Jiahong; Jiang, Bin; Li, Xin; Yang, Qingshan; Dong, Hanwu; Xia, Xiangsheng; Pan, Fusheng

    2015-01-01

    Graphical abstract: Al–Ce intermetallic compounds (IMCs) formed in Mg–Al/Mg–Ce diffusion couples. During the whole diffusion process, Al was the dominant diffusing species, and it substituted for Mg atoms of the Mg–Ce substrate. Five Al–Ce IMCs of Al 4 Ce, Al 11 Ce 3 , Al 3 Ce, Al 2 Ce, and AlCe were formed via the reaction of Al and Ce. - Highlights: • Al–Ce IMCs formation in the Mg–Al/Mg–Ce diffusion couples was studied. • Formation of Al 4 Ce as the first phase was rationalized using the Gibbs free energy. • The activation energy for the growth of the diffusion reaction zones was 36.6 kJ/mol. - Abstract: The formation of Al–Ce intermetallic compounds (IMCs) during interdiffusion of Mg–Al/Mg–Ce diffusion couples prepared by solid–liquid contact method was investigated at 623 K, 648 K and 673 K for 24 h, 48 h and 72 h, respectively. During the whole diffusion process, Al was the dominant diffusing species, and it substituted for Mg of the Mg–Ce substrate. Five Al–Ce IMCs of Al 4 Ce, Al 11 Ce 3 , Al 3 Ce, Al 2 Ce and AlCe were formed via the reaction of Al and Ce. The formation of Al 4 Ce as the first kind of IMC was rationalized on the basis of an effective Gibbs free energy model. The activation energy for the growth of the total diffusion reaction layer was 36.6 kJ/mol

  6. Void formation and its impact on Cu−Sn intermetallic compound formation

    International Nuclear Information System (INIS)

    Ross, Glenn; Vuorinen, Vesa; Paulasto-Kröckel, Mervi

    2016-01-01

    Void formation in the Cu−Sn system has been identified as a major reliability issue with small volume electronic interconnects. Voids form during the interdiffusion of electrochemically deposited Cu and Sn, with varying magnitude and density. Electroplating parameters include the electrolytic chemistry composition and the electroplating current density, all of which appear to effect the voiding characteristics of the Cu−Sn system. In addition, interfacial voiding affects the growth kinetics of the Cu 3 Sn and Cu 6 Sn 5 intermetallic compounds of the Cu−Sn system. The aim here is to present voiding data as a function of electroplating chemistry and current density over a duration (up to 72 h) of isothermal annealing at 423 K (150 °C). Voiding data includes the average interfacial void size and average void density. Voids sizes grew proportionally as a function of thermal annealing time, whereas the void density grew initially very quickly but tended to saturate at a fixed density. A morphological evolution analysis called the physicochemical approach is utilised to understand the processes that occur when a voided Cu/Cu 3 Sn interface causes changes to the IMC phase growth. The method is used to simulate the intermetallic thickness growths' response to interfacial voiding. The Cu/Cu 3 Sn interface acts as a Cu diffusion barrier disrupting the diffusion of Cu. This resulted in a reduction in the Cu 3 Sn thickness and an accelerated growth rate of Cu 6 Sn 5 . - Highlights: • Average void size is proportional linearly to thermal annealing time. • Average void density grows initially very rapidly followed by saturation. • Voids located close to the Cu/Cu 3 Sn interface affect IMC growth rates. • Voids act as a diffusion barrier inhibiting Cu diffusion towards Sn. • Voids located at the interface cause Cu 3 Sn to be consumed by Cu 6 Sn 5 .

  7. Ultrafast and Highly Reversible Sodium Storage in Zinc-Antimony Intermetallic Nanomaterials

    KAUST Repository

    Nie, Anmin

    2015-12-17

    The progress on sodium-ion battery technology faces many grand challenges, one of which is the considerably lower rate of sodium insertion/deinsertion in electrode materials due to the larger size of sodium (Na) ions and complicated redox reactions compared to the lithium-ion systems. Here, it is demonstrated that sodium ions can be reversibly stored in Zn-Sb intermetallic nanowires at speeds that can exceed 295 nm s-1. Remarkably, these values are one to three orders of magnitude higher than the sodiation rate of other nanowires electrochemically tested with in situ transmission electron microscopy. It is found that the nanowires display about 161% volume expansion after the first sodiation and then cycle with an 83% reversible volume expansion. Despite their massive expansion, the nanowires can be cycled without any cracking or facture during the ultrafast sodiation/desodiation process. In addition, most of the phases involved in the sodiation/desodiation process possess high electrical conductivity. More specifically, the NaZnSb exhibits a layered structure, which provides channels for fast Na+ diffusion. This observation indicates that Zn-Sb intermetallic nanomaterials offer great promise as high rate and good cycling stability anodic materials for the next generation of sodium-ion batteries. Sodium ions can be stored in Zn4 Sb3 nanowires with a speed of 295.5 nm/s, which is one to three orders of magnitude higher than that of other nanowires electrochemically tested by the same method. Despite their massive expansion, the nanowires can be cycled dozens of times without any internal fracture during the ultrafast sodiation/desodiation process. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Magneto-caloric effect in the pseudo-binary intermetallic YPrFe{sub 17} compound

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Pablo [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Gorria, Pedro, E-mail: pgorria@uniovi.es [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Sanchez Llamazares, Jose L. [Division de Materiales Avanzados, Instituto Potosino de Investigacion Cientifica y Tecnologica, Camino a la presa San Jose 2055, CP 78216, San Luis Potosi (Mexico); Perez, Maria J. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Franco, Victorino [Departamento de Fisica de la Materia Condensada, ICMSE-CSIC, Universidad de Sevilla, P.O. Box 1065, 41080 Sevilla (Spain); Reiffers, Marian; Kovac, Jozef [Institute of Experimental Physics, Watsonova 47, SK-04001 Kosice (Slovakia); Puente-Orench, Ines [Institute Laue Langevin, 6 rue Jules Horowitz, 38042 Grenoble (France); Blanco, Jesus A. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer YPrFe{sub 17} exhibits a broad {Delta}S{sub M}(T) associated with the ferro-to-paramagnetic phase transition (T{sub C} Almost-Equal-To 290 K). Black-Right-Pointing-Pointer We obtain |{Delta}S{sub M}| Almost-Equal-To 2.3 J kg{sup -1} K{sup -1} and RCP Almost-Equal-To 100 J kg{sup -1}for a magnetic field change of 1.5 T. Black-Right-Pointing-Pointer A single master curve for {Delta}S{sub M} is found when compared with other isostructural R{sub 2}Fe{sub 17} binary alloys. - Abstract: We have synthesized the intermetallic YPrFe{sub 17} compound by arc-melting. X-ray and neutron powder diffraction show that the crystal structure is rhombohedral with R3{sup Macron }m space group (Th{sub 2}Zn{sub 17}-type). The investigated compound exhibits a broad isothermal magnetic entropy change {Delta}S{sub M}(T) associated with the ferro-to-paramagnetic phase transition (T{sub C} Almost-Equal-To 290 K). The |{Delta}S{sub M}| ( Almost-Equal-To 2.3 J kg{sup -1} K{sup -1}) and the relative cooling power ( Almost-Equal-To 100 J kg{sup -1}) have been calculated for applied magnetic field changes up to 1.5 T. A single master curve for {Delta}S{sub M} under different values of the magnetic field change can be obtained by a rescaling of the temperature axis. The results are compared and discussed in terms of the magneto-caloric effect in the isostructural R{sub 2}Fe{sub 17} (R = Y, Pr and Nd) binary intermetallic alloys.

  9. Fast diffusion in the intermetallics Ni3Sb and Fe3Si: a neutron scattering study

    International Nuclear Information System (INIS)

    Randl, O.G.

    1994-02-01

    We present the results of neutron scattering experiments designed to elucidate the reason for the extraordinarily fast majority component diffusion in two intermetallic alloys of DO 3 structure, Fe 3 Si and Ni 3 Sb: We have performed diffraction measurements in order to determine the crystal structure and the state of order of both alloys as a function of composition and temperature. The results on Fe 3 Si essentially confirm the classical phase diagram: The alloys of a composition between 16 and 25 at % Si are DO 3 -ordered at room temperature and disorder at high temperatures. The high-temperature phase Ni 3 Sb also crystallizes in the DO 3 structure. Vacancies are created in one Ni sublattice at Sb contents beyond 25 at %. In a second step the diffusion mechanism in Ni 3 Sb has been studied by means of quasielastic neutron scattering. The results are reconcileable with a very simple NN jump model between the two different Ni sublattices. Finally, the lattice dynamics of Fe 3 Si and Ni 3 Sb has been studied by inelastic neutron scattering in dependence of temperature (both alloys) and alloy composition (Fe 3 Si only). The results on Fe 3 Si indicate clearly that phonon enhancement is not the main reason for fast diffusion in this alloy. In Ni 3 Sb no typical signs of phonon-enhanced diffusion have been found either. As a conclusion, fast diffusion in DO 3 intermetallics is explained by extraordinarily high vacancy concentrations (several atomic percent) in the majority component sublattices. (author)

  10. NMR measurements in milled GdCo2 and GdFe2 intermetallic compounds

    International Nuclear Information System (INIS)

    Tribuzy, C.V.B.; Guimaraes, A.P.; Biondo, A.; Larica, C.; Alves, K.M.B.

    1998-12-01

    We have used the nuclear magnetic resonance technique to study the magnetic and structural properties of the Gd-Co and Gd-Fe metallic systems, starting with the C15 laves phase intermetallic compounds, and submitting them to a high energy milling process. This leads to the amorphization of the samples, as determined by the X-ray diffraction spectra. For the Gd-Co system the NMR study used the 59 Co nucleus; in the Gd-Fe system, 155,157 Gd and 57 Fe were used. Both systems showed segregation of the pure elements, after a few hours of milling. In the Gd-Co system, a single line, of increasing width, was observed in the 59 Co spectrum. In the Gd-Fe system, the 155 Gd and 157 Gd resonances show three lines, arising from electrical quadrupole interaction. With increasing milling time, the lines broaden, and extra lines appear attributed to a cubic phase of Gd; this interpretation is supported by the X-ray analysis of the samples. The 57 Fe NMR spectrum of this system also informs on the direction of magnetization of the samples in the early stages of milling. From 1 h to 7 h of milling, a spectrum of α-Fe was observed. The study of the NMR line intensity as a function of radio frequency (r.f.) power in Gd Co 2 suggests the existence of regions of the samples with different degrees of disorder. We have observed the persistence of NMR signals from the original intermetallic compounds in the samples with up to 10 h and 7 h of milling, respectively, for Gd Co 2 and Gd Fe 2 . (author)

  11. Thermal expansion and thermal diffusivity properties of Co-Si solid solutions and intermetallic compounds

    International Nuclear Information System (INIS)

    Ruan, Ying; Li, Liuhui; Gu, Qianqian; Zhou, Kai; Yan, Na; Wei, Bingbo

    2016-01-01

    Highlights: • Length change difference between rapidly and slowly solidified Co-Si alloy occurs at high temperature. • Generally CTE increases with an increasing Si content. • The thermal diffusion abilities are CoSi 2 > Co 95 Si 5 > Co 90 Si 10 > Co 2 Si > CoSi if T exceeds 565 K. • All the CTE and thermal diffusivity variations with T satisfy linear or polynomial relations. - Abstract: The thermal expansion of Co-Si solid solutions and intermetallic compounds was measured via dilatometric method, compared with the results of first-principles calculations, and their thermal diffusivities were investigated using laser flash method. The length changes of rapidly solidified Co-Si alloys are larger than those of slowly solidified alloys when temperature increases to around 1000 K due to the more competitive atom motion. The coefficient of thermal expansion (α) of Co-Si alloy increases with an increasing Si content, except that the coefficient of thermal expansion of Co 95 Si 5 influenced by both metastable structure and allotropic transformation is lower than that of Co 90 Si 10 at a higher temperature. The thermal expansion abilities of Co-Si intermetallic compounds satisfy the relationship of Co 2 Si > CoSi > CoSi 2 , and the differences of the coefficients of thermal expansion between them increase with the rise of temperature. The thermal diffusivity of CoSi 2 is evidently larger than the values of other Co-Si alloys. If temperature exceeds 565 K, their thermal diffusion abilities are CoSi 2 > Co 95 Si 5 > Co 90 Si 10 > Co 2 Si > CoSi. All the coefficient of thermal expansion and thermal diffusivity variations with temperature satisfy linear or polynomial relations.

  12. Application of mechanical alloying to synthesis of intermetallic phases based alloys

    International Nuclear Information System (INIS)

    Dymek, S.

    2001-01-01

    Mechanical alloying is the process of synthesis of powder materials during milling in high energetic mills, usually ball mills. The central event in mechanical alloying is the ball-powder-ball collision. Powder particles are trapped between the colliding balls during milling and undergo deformation and/or fracture. Fractured parts are cold welded. The continued fracture and cold welding results in a uniform size and chemical composition of powder particles. The main applications of mechanical alloying are: processing of ODS alloys, syntheses of intermetallic phases, synthesis of nonequilibrium structures (amorphous alloys, extended solid solutions, nanocrystalline, quasi crystals) and magnetic materials. The present paper deals with application of mechanical alloying to synthesis Ni A l base intermetallic phases as well as phases from the Nb-Al binary system. The alloy were processed from elemental powders. The course of milling was monitored by scanning electron microscopy and X-ray diffraction. After milling, the collected powders were sieved by 45 μm grid and hot pressed (Nb alloys and NiAl) or hot extruded (NiAl). The resulting material was fully dense and exhibited fine grain (< 1 μm) and uniform distribution of oxide dispersoid. The consolidated material was compression and creep tested. The mechanical properties of mechanically alloys were superior to properties of their cast counterparts both in the room and elevated temperatures. Higher strength of mechanically alloyed materials results from their fine grains and from the presence of dispersoid. At elevated temperatures, the Nb-Al alloys have higher compression strength than NiAl-based alloys processed at the same conditions. The minimum creep rates of mechanically alloyed Nb alloys are an order of magnitude lower than analogously processed NiAl-base alloys. (author)

  13. Strong van der Waals attractive forces in nanotechnology

    Science.gov (United States)

    Reimers, Jeffrey

    The Dobson classification scheme for failure of London-like expressions for describing dispersion is reviewed. New ways to measure using STM data and calculate by first principles free energies of organic self-assembly processes from solution will be discussed, considering tetraalkylporphyrins on graphite. How strong van der Waals forces can compete against covalent bonding to produce new molecular isomers and reaction pathways will also be demonstrated, focusing on golds-sulfur bonds for sensors and stabilizing nanoparticles.

  14. Strong Arcwise Connectedness

    OpenAIRE

    Espinoza, Benjamin; Gartside, Paul; Kovan-Bakan, Merve; Mamatelashvili, Ana

    2012-01-01

    A space is `n-strong arc connected' (n-sac) if for any n points in the space there is an arc in the space visiting them in order. A space is omega-strong arc connected (omega-sac) if it is n-sac for all n. We study these properties in finite graphs, regular continua, and rational continua. There are no 4-sac graphs, but there are 3-sac graphs and graphs which are 2-sac but not 3-sac. For every n there is an n-sac regular continuum, but no regular continuum is omega-sac. There is an omega-sac ...

  15. Abortion: Strong's counterexamples fail

    DEFF Research Database (Denmark)

    Di Nucci, Ezio

    2009-01-01

    This paper shows that the counterexamples proposed by Strong in 2008 in the Journal of Medical Ethics to Marquis's argument against abortion fail. Strong's basic idea is that there are cases--for example, terminally ill patients--where killing an adult human being is prima facie seriously morally......'s scenarios have some valuable future or admitted that killing them is not seriously morally wrong. Finally, if "valuable future" is interpreted as referring to objective standards, one ends up with implausible and unpalatable moral claims....

  16. Chemisorption bonding and catalysis

    International Nuclear Information System (INIS)

    Danese, J.B.; Schrieffer, J.R.

    1976-01-01

    The general features of the LCAO--MO, Green's function, and multiple-scattering chi α methods and their applications to surfaces and surface-related problems are discussed. Emphasis is placed on the localization of bonding in surface complexes

  17. Tile-bonding tool

    Science.gov (United States)

    Haynie, C. C.; Holt, J. W.

    1978-01-01

    Device applies uniform, constant, precise pressure to hold tiles in place during bonding. Tool consists of pressure bladders supported by adjustable pole. Pole can accomodate single or multiple bladders. Tiles can be flat or contoured.

  18. Bond markets in Africa

    Directory of Open Access Journals (Sweden)

    Yibin Mu

    2013-07-01

    Full Text Available African bond markets have been steadily growing in recent years, but nonetheless remain undeveloped. African countries would benefit from greater access to financing and deeper financial markets. This paper compiles a unique set of data on government securities and corporate bond markets in Africa. It then applies an econometric model to analyze the key determinants of African government securities market and corporate bond market capitalization. Government securities market capitalization is directly related to better institutions and interest rate volatility, and inversely related to smaller fiscal deficits, higher interest rate spreads, exchange rate volatility, and current and capital account openness. Corporate bond market capitalization is directly linked to economic size, the level of development of the economy and financial markets, better institutions, and interest rate volatility, and inversely related to higher interest rate spreads and current account openness. Policy implications follow.

  19. A strong comeback

    International Nuclear Information System (INIS)

    Marier, D.

    1992-01-01

    This article presents the results of a financial rankings survey which show a strong economic activity in the independent energy industry. The topics of the article include advisor turnover, overseas banks, and the increase in public offerings. The article identifies the top project finance investors for new projects and restructurings and rankings for lenders

  20. Handbook of wafer bonding

    CERN Document Server

    Ramm, Peter; Taklo, Maaike M V

    2011-01-01

    Written by an author and editor team from microsystems companies and industry-near research organizations, this handbook and reference presents dependable, first-hand information on bonding technologies.In the first part, researchers from companies and institutions around the world discuss the most reliable and reproducible technologies for the production of bonded wafers. The second part is devoted to current and emerging applications, including microresonators, biosensors and precise measuring devices.

  1. Diffusion bonding techniques

    International Nuclear Information System (INIS)

    Peters, R.D.

    1978-01-01

    The applications of diffusion bonding at the General Electric Neutron Devices Department are briefly discussed, with particular emphasis on the gold/gold or gold/indium joints made between metallized alumina ceramic parts in the vacuum switch tube and the crystal resonator programs. Fixtures which use the differential expansion of dissimilar metals are described and compared to one that uses hydraulic pressure to apply the necessary bonding force

  2. Application of Box–Behnken design for fabrication of titanium alloy and 304 stainless steel joints with silver interlayer by diffusion bonding

    International Nuclear Information System (INIS)

    Balasubramanian, M.

    2015-01-01

    Highlights: • Diffusion bonding of Ti–6Al–4V to SS304 with silver interlayer was successful. • Hardness and shear strength increased with the increase in the bonding temperature. • Shear strength of 149 MPa and 18% strain to failure were achieved. • Joint efficiency of 80% was obtained for the Ti–6Al–4V and SS304L joints. - Abstract: Direct bonding between titanium (Ti)/titanium alloy(Ti alloy) and stainless steel (SS) promotes the formation of various Fe–Ti and Fe–Cr–Ti intermetallics in the diffusion zone, because the solid solubility of Fe, Cr, Ni and Ti in each other is limited and these intermetallics weaken the mechanical properties of the joint. The present study focuses on the titanium alloy Ti–6Al–4V diffusion bonded to AISI 304 stainless steel with silver foil as an interlayer. The process parameters were chosen appropriately and hence, the bonding is achieved without any defect. Box–Behnken design is used to decide the optimum number of experiments required to do the investigation. Microhardness measurements and the lap shear test were carried out to determine the hardness and strength of the joints respectively. The results show that atomic diffusion and migration between Ti and Fe or C are effectively prevented by adding pure Ag as the interlayer metal. The results from mechanical testing showed that shear strength values have a direct relationship with bonding time. The maximum lap shear strength of 149 MPa and 18% strain to failure was observed for joints obtained with bonding time of 60 min. However, effective bonding was not possible at 850 °C due to incomplete coalescence of mating surfaces

  3. Elemental analysis of the Al-Fe intermetallic prepared by fast solidification; Analisis elemental del intermetalico Al-Fe preparado por solidificacion rapida

    Energy Technology Data Exchange (ETDEWEB)

    Sandoval J, R.A.; Lopez M, J.; Ramirez T, J.J.; Aspiazu F, J.; Villasenor S, P. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

    2003-07-01

    Applying the PIXE technique samples of the Al-Fe intermetallic prepared by fast solidification, obtained starting from Al recycled were analyzed. The concentrations of the found elements are given. (Author)

  4. Surface activated room-temperature bonding in Ar gas ambient for MEMS encapsulation

    Science.gov (United States)

    Takagi, Hideki; Kurashima, Yuichi; Takamizawa, Akifumi; Ikegami, Takeshi; Yanagimachi, Shinya

    2018-02-01

    Surface activated room-temperature bonding of Si and sapphire wafers in high-purity inert gas ambient was examined. Although surface activated bonding has been mainly performed in high vacuum, Si and sapphire wafers were successfully bonded in Ar gas ambient up to 90 kPa, which is almost atmospheric pressure. The dicing test proved that the bonding prepared in Ar gas ambient was strong enough for MEMS packaging, although the bonding strength was slightly decreased compared with that prepared in vacuum. Transmission electron microscope observation revealed that the bonding interface prepared in Ar gas ambient is almost the same as that prepared in vacuum. It means that Ar atoms in the bonding ambient do not hamper the interatomic bond formation at the bonding interface. Room-temperature bonding in gas ambient enables hermetic packaging of MEMS devices, such as inertia sensors, MEMS switches, and Cs vapor cells for MEMS atomic clocks at various pressures.

  5. Strong Electroweak Symmetry Breaking

    CERN Document Server

    Grinstein, Benjamin

    2011-01-01

    Models of spontaneous breaking of electroweak symmetry by a strong interaction do not have fine tuning/hierarchy problem. They are conceptually elegant and use the only mechanism of spontaneous breaking of a gauge symmetry that is known to occur in nature. The simplest model, minimal technicolor with extended technicolor interactions, is appealing because one can calculate by scaling up from QCD. But it is ruled out on many counts: inappropriately low quark and lepton masses (or excessive FCNC), bad electroweak data fits, light scalar and vector states, etc. However, nature may not choose the minimal model and then we are stuck: except possibly through lattice simulations, we are unable to compute and test the models. In the LHC era it therefore makes sense to abandon specific models (of strong EW breaking) and concentrate on generic features that may indicate discovery. The Technicolor Straw Man is not a model but a parametrized search strategy inspired by a remarkable generic feature of walking technicolor,...

  6. Unusual H-Bond Topology and Bifurcated H-bonds in the 2-Fluoroethanol Trimer.

    Science.gov (United States)

    Thomas, Javix; Liu, Xunchen; Jäger, Wolfgang; Xu, Yunjie

    2015-09-28

    By using a combination of rotational spectroscopy and ab initio calculations, an unusual H-bond topology was revealed for the 2-fluoroethanol trimer. The trimer exhibits a strong heterochiral preference and adopts an open OH⋅⋅⋅OH H-bond topology while utilizing two types of bifurcated H-bonds involving organic fluorine. This is in stark contrast to the cyclic OH⋅⋅⋅OH H-bond topology adopted by trimers of water and other simple alcohols. The strengths of different H-bonds in the trimer were analyzed by using the quantum theory of atoms in molecules. The study showcases a remarkable example of a chirality-induced switch in H-bond topology in a simple transient chiral fluoroalcohol. It provides important insight into the H-bond topologies of small fluoroalcohol aggregates, which are proposed to play a key role in protein folding and in enantioselective reactions and separations where fluoroalcohols serve as a (co)solvent. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Plasmons in strong superconductors

    International Nuclear Information System (INIS)

    Baldo, M.; Ducoin, C.

    2011-01-01

    We present a study of the possible plasmon excitations that can occur in systems where strong superconductivity is present. In these systems the plasmon energy is comparable to or smaller than the pairing gap. As a prototype of these systems we consider the proton component of Neutron Star matter just below the crust when electron screening is not taken into account. For the realistic case we consider in detail the different aspects of the elementary excitations when the proton, electron components are considered within the Random-Phase Approximation generalized to the superfluid case, while the influence of the neutron component is considered only at qualitative level. Electron screening plays a major role in modifying the proton spectrum and spectral function. At the same time the electron plasmon is strongly modified and damped by the indirect coupling with the superfluid proton component, even at moderately low values of the gap. The excitation spectrum shows the interplay of the different components and their relevance for each excitation modes. The results are relevant for neutrino physics and thermodynamical processes in neutron stars. If electron screening is neglected, the spectral properties of the proton component show some resemblance with the physical situation in high-T c superconductors, and we briefly discuss similarities and differences in this connection. In a general prospect, the results of the study emphasize the role of Coulomb interaction in strong superconductors.

  8. Transient liquid phase bonding of titanium-, iron- and nickel-based alloys

    Science.gov (United States)

    Rahman, A. H. M. Esfakur

    The operating temperature of land-based gas turbines and jet engines are ever-increasing to increase the efficiency, decrease the emissions and minimize the cost. Within the engines, complex-shaped parts experience extreme temperature, fatigue and corrosion conditions. Ti-based, Ni-based and Fe-based alloys are commonly used in gas turbines and jet engines depending on the temperatures of different sections. Although those alloys have superior mechanical, high temperature and corrosion properties, severe operating conditions cause fast degradation and failure of the components. Repair of these components could reduce lifecycle costs. Unfortunately, conventional fusion welding is not very attractive, because Ti reacts very easily with oxygen and nitrogen at high temperatures, Ni-based superalloys show heat affected zone (HAZ) cracking, and stainless steels show intergranular corrosion and knife-line attack. On the other hand, transient liquid phase (TLP) bonding method has been considered as preferred joining method for those types of alloys. During the initial phase of the current work commercially pure Ti, Fe and Ni were diffusion bonded using commercially available interlayer materials. Commercially pure Ti (Ti-grade 2) has been diffusion bonded using silver and copper interlayers and without any interlayer. With a silver (Ag) interlayer, different intermetallics (AgTi, AgTi2) appeared in the joint centerline microstructure. While with a Cu interlayer eutectic mixtures and Ti-Cu solid solutions appeared in the joint centerline. The maximum tensile strengths achieved were 160 MPa, 502 MPa, and 382 MPa when Ag, Cu and no interlayers were used, respectively. Commercially pure Fe (cp-Fe) was diffusion bonded using Cu (25 m) and Au-12Ge eutectic interlayer (100 microm). Cu diffused predominantly along austenite grain boundaries in all bonding conditions. Residual interlayers appeared at lower bonding temperature and time, however, voids were observed in the joint

  9. 46 CFR Sec. 10 - Bonds.

    Science.gov (United States)

    2010-10-01

    ... open penalty type. (e) No repair voucher (progress or final) where bond coverage is required shall be... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA...) shall be used. (b) In compliance with the perform- ance bond and payment bond requirements of Article 14...

  10. Science and technology of plasma activated direct wafer bonding

    Science.gov (United States)

    Roberds, Brian Edward

    This dissertation studied the kinetics of silicon direct wafer bonding with emphasis on low temperature bonding mechanisms. The project goals were to understand the topological requirements for initial bonding, develop a tensile test to measure the bond strength as a function of time and temperature and, using the kinetic information obtained, develop lower temperature methods of bonding. A reproducible surface metrology metric for bonding was best described by power spectral density derived from atomic force microscopy measurements. From the tensile strength kinetics study it was found that low annealing temperatures could be used to obtain strong bonds, but at the expense of longer annealing times. Three models were developed to describe the kinetics. A diffusion controlled model and a reaction rate controlled model were developed for the higher temperature regimes (T > 600sp°C), and an electric field assisted oxidation model was proposed for the low temperature range. An in situ oxygen plasma treatment was used to further enhance the field-controlled mechanism which resulted in dramatic increases in the low temperature bonding kinetics. Multiple internal transmission Fourier transform infrared spectroscopy (MIT-FTIR) was used to monitor species evolution at the bonded interface and a capacitance-voltage (CV) study was undertaken to investigate charge distribution and surface states resulting from plasma activation. A short, less than a minute, plasma exposure prior to contacting the wafers was found to obtain very strong bonds for hydrophobic silicon wafers at very low temperatures (100sp°C). This novel bonding method may enable new technologies involving heterogeneous material systems or bonding partially fabricated devices to become realities.

  11. Characterization of oxidation products on a ZrFe2-type laves intermetallic exposed to 200degreeC steam

    International Nuclear Information System (INIS)

    Abraham, D. P.; Dietz, N.; Finnegan, N.

    2000-01-01

    The release of radioactive elements from the stainless steel-15 wt% zirconium (SS-15Zr) metal waste form will be governed by the corrosion behavior of ZrFe 2 -type intermetallics phases present in the alloy. In this article, oxidation products that formed on a ZrFe 2 -type intermetallic sample exposed to 200 C steam were characterized by Auger Electron Spectroscopy (AES) and Transmission Electron Microscopy (TEM). The data revealed two oxide layers on the sample surface: an outer crystalline iron-oxide layer and an inner amorphous zirconium-rich layer believed to be zirconium oxide. Thermodynamic considerations indicate that the zirconium-rich layer formed first. The iron-oxide layer appears to have resulted from the diffusion of iron through the zirconium-rich layer to the oxide-vapor interface

  12. Characterization and formation mechanism of nanocrystalline (Fe,Ti){sub 3}Al intermetallic compound prepared by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Rafiei, M. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Enayati, M.H. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)], E-mail: ena78@cc.iut.ac.ir; Karimzadeh, F. [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

    2009-07-08

    The nanocrystalline (Fe,Ti){sub 3}Al intermetallic compound was synthesized by mechanical alloying (MA) of elemental powder with composition Fe{sub 50}Al{sub 25}Ti{sub 25}. The structural changes of powder particles during mechanical alloying were studied by X-ray diffractometry and microhardness measurements. Morphology and cross-sectional microstructure of powder particles were characterized by scanning electron microscopy. It was found that a Fe/Al/Ti layered structure was formed at the early stages of milling followed by the formation of Fe(Ti,Al) solid solution. This structure transformed to (Fe,Ti){sub 3}Al intermetallic compound at longer milling times. Upon heat treatment of (Fe,Ti){sub 3}Al phase the degree of DO{sub 3} ordering was increased. The (Fe,Ti){sub 3}Al compound exhibited high microhardness value of about 1050 Hv.

  13. Strong-coupling approximations

    International Nuclear Information System (INIS)

    Abbott, R.B.

    1984-03-01

    Standard path-integral techniques such as instanton calculations give good answers for weak-coupling problems, but become unreliable for strong-coupling. Here we consider a method of replacing the original potential by a suitably chosen harmonic oscillator potential. Physically this is motivated by the fact that potential barriers below the level of the ground-state energy of a quantum-mechanical system have little effect. Numerically, results are good, both for quantum-mechanical problems and for massive phi 4 field theory in 1 + 1 dimensions. 9 references, 6 figures

  14. Strong interaction and QFD

    International Nuclear Information System (INIS)

    Ebata, T.

    1981-01-01

    With an assumed weak multiplet structure for bosonic hadrons, which is consistent with the ΔI = 1/2 rule, it is shown that the strong interaction effective hamiltonian is compatible with the weak SU(2) x U(1) gauge transformation. Especially the rho-meson transforms as a triplet under SU(2)sub(w), and this is the origin of the rho-photon analogy. It is also shown that the existence of the non-vanishing Cabibbo angle is a necessary condition for the absence of the exotic hadrons. (orig.)

  15. Microstructure and mechanical properties of Ni3Al intermetallics prepared by directional solidification electromagnetic cold crucible technique

    OpenAIRE

    Hong-sheng Ding; Guo-tian Wang; Rui-run Chen

    2017-01-01

    The present work focused on the Ni3Al-based alloy with a high melting point. The aim of the research is to study the effect of withdrawal rate on the microstructures and mechanical properties of directionally solidified Ni-25Al alloy. Ni3Al intermetallics were prepared at different withdrawal rates by directional solidification (DS) in an electromagnetic cold crucible directional solidification furnace. The DS samples contain Ni3Al and NiAl phases. The primary dendritic spacing (λ) decreases ...

  16. Mictomagnetic, ferromagnetic, and antiferromagnetic transitions in La(FexAl1–x)13 intermetallic compounds

    NARCIS (Netherlands)

    Palstra, T.T.M.; Nieuwenhuys, G.J.; Mydosh, J.A.; Buschow, K.H.J.

    1985-01-01

    Cubic La(FexAl1–x)13 intermetallic compounds can be stabilized with iron concentration x between 0.46 and 0.92 in the NaZn13-type structure (D23) with Fm3c (Oh6) space-group symmetry. Here the Fe-Fe coordination number can increase up to 12. At low x values, a mictomagnetic regime occurs with

  17. Features peculiar to the acoustic properties of intermetallic SmFe2 in the spin reorientation region

    International Nuclear Information System (INIS)

    Artma, E.E.; Zinoveva, G.P.; Korolyov, A.V.; Gaviko, V.S.

    1991-01-01

    In polycrystalline specimens of intermetallic SmFe 2 the temperature dependences are measured of the sound velocity and of the sound absorption coefficients. By contrast with earlier investigations, anomalies are detected in the acoustic properties at two spin-reorientation temperatures rather than at one. The temperature dependences are characterized by a hysteresis. Possible causes of the observed anomalies in the acoustic properties of SmFe 2 are discussed. (orig.)

  18. Strong Coupling Holography

    CERN Document Server

    Dvali, Gia

    2009-01-01

    We show that whenever a 4-dimensional theory with N particle species emerges as a consistent low energy description of a 3-brane embedded in an asymptotically-flat (4+d)-dimensional space, the holographic scale of high-dimensional gravity sets the strong coupling scale of the 4D theory. This connection persists in the limit in which gravity can be consistently decoupled. We demonstrate this effect for orbifold planes, as well as for the solitonic branes and string theoretic D-branes. In all cases the emergence of a 4D strong coupling scale from bulk holography is a persistent phenomenon. The effect turns out to be insensitive even to such extreme deformations of the brane action that seemingly shield 4D theory from the bulk gravity effects. A well understood example of such deformation is given by large 4D Einstein term in the 3-brane action, which is known to suppress the strength of 5D gravity at short distances and change the 5D Newton's law into the four-dimensional one. Nevertheless, we observe that the ...

  19. Hydrogen bonded supramolecular materials

    CERN Document Server

    Li, Zhan-Ting

    2015-01-01

    This book is an up-to-date text covering topics in utilizing hydrogen bonding for constructing functional architectures and supramolecular materials. The first chapter addresses the control of photo-induced electron and energy transfer. The second chapter summarizes the formation of nano-porous materials. The following two chapters introduce self-assembled gels, many of which exhibit unique functions. Other chapters cover the advances in supramolecular liquid crystals and the versatility of hydrogen bonding in tuning/improving the properties and performance of materials. This book is designed

  20. Investigation of microstructural evolution and electrical properties for Ni-Sn transient liquid-phase sintering bonding

    Science.gov (United States)

    Feng, Hong-Liang; Huang, Ji-Hua; Yang, Jian; Zhou, Shao-Kun; Zhang, Rong; Wang, Yue; Chen, Shu-Hai

    2017-11-01

    Ni/Ni-Sn/Ni sandwiched simulated package structures were successfully bonded under low temperature and low pressure by Ni-Sn transient liquid-phase sintering bonding. The results show that, after isothermally holding for 240 min at 300 °C and 180 min at 340 °C, Sn was completely transformed into Ni3Sn4 intermetallic compounds. When the Ni3Sn4 phases around Ni particles were pressed together, the porosity of the bonding layer increased, which obviously differed from the normal sintering densification process. With further analysis of this phenomenon, it was found that large volume shrinkage (14.94% at 340 °C) occurred when Ni reacted with Sn to form Ni3Sn4, which caused void formation. A mechanistic model of the microstructural evolution in the bonding layer was proposed. Meanwhile, the resistivity of the bonding layer was measured and analyzed by using the four-probe method; the microstructural evolution was well reflected by the resistivity of the bonding layer. The relationship between the resistivity and microstructure was also discussed in detail.[Figure not available: see fulltext.

  1. LIGO: The strong belief

    CERN Multimedia

    Antonella Del Rosso

    2016-01-01

    Twenty years of designing, building and testing a number of innovative technologies, with the strong belief that the endeavour would lead to a historic breakthrough. The Bulletin publishes an abstract of the Courier’s interview with Barry Barish, one of the founding fathers of LIGO.   The plots show the signals of gravitational waves detected by the twin LIGO observatories at Livingston, Louisiana, and Hanford, Washington. (Image: Caltech/MIT/LIGO Lab) On 11 February, the Laser Interferometer Gravitational-Wave Observatory (LIGO) and Virgo collaborations published a historic paper in which they showed a gravitational signal emitted by the merger of two black holes. These results come after 20 years of hard work by a large collaboration of scientists operating the two LIGO observatories in the US. Barry Barish, Linde Professor of Physics, Emeritus at the California Institute of Technology and former Director of the Global Design Effort for the Internat...

  2. Beneficial Role of Copper in the Enhancement of Durability of Ordered Intermetallic PtFeCu Catalyst for Electrocatalytic Oxygen Reduction.

    Science.gov (United States)

    Arumugam, Balamurugan; Tamaki, Takanori; Yamaguchi, Takeo

    2015-08-05

    Design of Pt alloy catalysts with enhanced activity and durability is a key challenge for polymer electrolyte membrane fuel cells. In the present work, we compare the durability of the ordered intermetallic face-centered tetragonal (fct) PtFeCu catalyst for the oxygen reduction reaction (ORR) relative to its counterpart bimetallic catalysts, i.e., the ordered intermetallic fct-PtFe catalyst and the commercial catalyst from Tanaka Kikinzoku Kogyo, TKK-PtC. Although both fct catalysts initially exhibited an ordered structure and mass activity approximately 2.5 times higher than that of TKK-Pt/C, the presence of Cu at the ordered intermetallic fct-PtFeCu catalyst led to a significant enhancement in durability compared to that of the ordered intermetallic fct-PtFe catalyst. The ordered intermetallic fct-PtFeCu catalyst retained more than 70% of its mass activity and electrochemically active surface area (ECSA) over 10 000 durability cycles carried out at 60 °C. In contrast, the ordered intermetallic fct-PtFe catalyst maintained only about 40% of its activity. The temperature of the durability experiment is also shown to be important: the catalyst was more severely degraded at 60 °C than at room temperature. To obtain insight into the observed enhancement in durability of fct-PtFeCu catalyst, a postmortem analysis of the ordered intermetallic fct-PtFeCu catalyst was carried out using scanning transmission electron microscopy-energy dispersive X-ray spectroscopy (STEM-EDX) line scan. The STEM-EDX line scans of the ordered intermetallic fct-PtFeCu catalyst over 10 000 durability cycles showed a smaller degree of Fe and Cu dissolution from the catalyst. Conversely, large dissolution of Fe was identified in the ordered intermetallic fct-PtFe catalyst, indicating a lesser retention of Fe that causes the destruction of ordered structure and gives rise to poor durability. The enhancement in the durability of the ordered intermetallic fct-PtFeCu catalyst is ascribed to

  3. Cytotoxicity of dentin bonding agents.

    Science.gov (United States)

    Cal, Ebru; Guneri, Pelin; Atay, Ayse; Cetintas, Vildan Bozok

    2014-01-01

    This study sought to evaluate the cytotoxicity of 5 dentin bonding agents (Admira Bond, Adper Single Bond Plus, Clearfil SE Bond, Clearfil S3 Bond, and Heliobond) by XTT assay using human gingival fibroblast cells. Samples of dentin bonding agents were prepared on a black 96-well microplate, and the cytotoxicity of each bonding material was measured every 24 hours for 7 days, then on Days 14, 21, and 28. One-way ANOVA and Bonferroni post hoc tests were used for statistical analyses. All 5 materials were evaluated as severely cytotoxic (P agents showed severe cytotoxicity with viability results exception of Adper Single Bond Plus, toxicity continued to Day 28 for all compounds. The utmost care must be considered during the clinical utilization of dentin bonding agents to keep them within the area of restoration and prevent their contact with adjacent tissues.

  4. Photochemical tissue bonding

    Science.gov (United States)

    Redmond, Robert W [Brookline, MA; Kochevar, Irene E [Charlestown, MA

    2012-01-10

    Photochemical tissue bonding methods include the application of a photosensitizer to a tissue and/or tissue graft, followed by irradiation with electromagnetic energy to produce a tissue seal. The methods are useful for tissue adhesion, such as in wound closure, tissue grafting, skin grafting, musculoskeletal tissue repair, ligament or tendon repair and corneal repair.

  5. First-principles screening of structural properties of intermetallic compounds on martensitic transformation

    Science.gov (United States)

    Lee, Joohwi; Ikeda, Yuji; Tanaka, Isao

    2017-11-01

    Martensitic transformation with good structural compatibility between parent and martensitic phases are required for shape memory alloys (SMAs) in terms of functional stability. In this study, first-principles-based materials screening is systematically performed to investigate the intermetallic compounds with the martensitic phases by focusing on energetic and dynamical stabilities as well as structural compatibility with the parent phase. The B2, D03, and L21 crystal structures are considered as the parent phases, and the 2H and 6M structures are considered as the martensitic phases. In total, 3384 binary and 3243 ternary alloys with stoichiometric composition ratios are investigated. It is found that 187 alloys survive after the screening. Some of the surviving alloys are constituted by the chemical elements already widely used in SMAs, but other various metallic elements are also found in the surviving alloys. The energetic stability of the surviving alloys is further analyzed by comparison with the data in Materials Project Database (MPD) to examine the alloys whose martensitic structures may cause further phase separation or transition to the other structures.

  6. Tensile behavior of directionally solidified Ni3Al intermetallics with different Al contents and solidification rates

    Science.gov (United States)

    Lu, Yun; Gu, Jiho; Kim, Sangshik; Hong, Hyunuk; Choi, Heekyu; Lee, Jehyun

    2014-03-01

    Despite the excellent high temperature mechanical properties of the Ni3Al intermetallic compound, its application is still limited due to its inherently weak grain boundary. Recent research advances have demonstrated that the tensile ductility can be enhanced by controlling the grain morphology using a directional solidification. In this study, a series of directional solidification experiments were carried out to increase both the tensile ductility and the strength of Ni3Al alloys by arraying either the ductile phase of γ-Ni-rich dendrite fibers or the hard phase of β-NiAl dendrite fibers in the γ'-Ni3Al matrix. The dendrite arm spacing could be controlled by the solidification rate, and the volume fraction of the γ or β phase could be altered by the Al content, ranging from 23 at.% to 27 at.%. With an increasing Al content, the γ dendritic microstructure was transformed into the β dendrite in the γ' matrix, thereby reducing the tensile ductility by increasing the volume fraction of brittle β dendrites in the γ' matrix. With an increasing solidification rate, the dendrite arm spacing decreased and the tensile properties of Ni3Al varied in a complex manner. The microstructural evolution affecting the tensile behavior of directionally solidified Ni3Al alloy specimens with different solidification rates and Al contents is discussed.

  7. Microcracking and macroscopic failure in intermetallic titanium aluminides; Mikrorissbildung und makroskopisches Versagen in intermetallischen Titanaluminiden

    Energy Technology Data Exchange (ETDEWEB)

    Wiesand-Valk, B. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Werkstofforschung

    2000-07-01

    This paper deals with the correlations between microstructural disorder, that means statistical distribution of phases and local material properties, and macroscopic failure of disordered multiphase materials. On a microscopic level the microstructural disorder leads to randomly distributed local damage before failure (in brittle materials to microcracks) and eventually to localisation of damage. On a macroscopic level the value and scatter of fracture strength and its dependence on specimen size are essentially determined by the microstructural disorder. The failure behaviour is treated by using the discrete chain-of-bundles-model, which treats the details of the microstructure not explicitly but as locally distributed fluctuations of characteristical material parameters. The model has been verified by comparing with experimental results for four intermetallic titanium aluminides and its validity has been demonstrated. (orig.) [German] Die Arbeit behandelt die Zusammenhaenge zwischen der Stochastizitaet des Gefueges, das heisst, einer statistischen Verteilung von Phasen und lokalen Materialeigenschaften und dem makroskopischen Versagen von ungeordneten mehrphasigen Werkstoffen. Auf mikroskopischer Ebene fuehrt die Stochastizitaet des Gefueges vor dem Versagen zu lokalen Schaedigungen (in sproeden Werkstoffen zu Mikrorissen) und schliesslich (abhaengig vom Grad der Unordnung) zur Lokalisierung des Bruchgeschehens. Makroskopisch werden die Groesse und Streuung von Bruchfestigkeitswerten und ihre Probengroessenabhaengigkeit durch die mikrostrukturelle Unordnung wesentlich bestimmt. Dieses Versagensverhalten wird in dem diskreten Chain-of-Bundles-Modell beschrieben, das die Details der Mikrostruktur nicht explizit sondern als lokale statistische Schwankungen von charakteristischen Werkstoffparametern erfasst. Am Beispiel von vier ausgewaehlten Titan-Aluminiden wird das Modell validiert und verifiziert. (orig.)

  8. Strained lattice with persistent atomic order in Pt3Fe2 intermetallic core-shell nanocatalysts.

    Science.gov (United States)

    Prabhudev, Sagar; Bugnet, Matthieu; Bock, Christina; Botton, Gianluigi A

    2013-07-23

    Fine-tuning nanocatalysts to enhance their catalytic activity and durability is crucial to commercialize proton exchange membrane fuel cells. The structural ordering and time evolution of ordered Pt3Fe2 intermetallic core-shell nanocatalysts for the oxygen reduction reaction that exhibit increased mass activity (228%) and an enhanced catalytic activity (155%) compared to Pt/C has been quantified using aberration-corrected scanning transmission electron microscopy. These catalysts were found to exhibit a static core-dynamic shell regime wherein, despite treating over 10,000 cycles, there is negligible decrease (9%) in catalytic activity and the ordered Pt3Fe2 core remained virtually intact while the Pt shell suffered a continuous enrichment. The existence of this regime was further confirmed by X-ray diffraction and the compositional analyses using energy-dispersive spectroscopy. With atomic-scale two-dimensional (2-D) surface relaxation mapping, we demonstrate that the Pt atoms on the surface are slightly relaxed with respect to bulk. The cycled nanocatalysts were found to exhibit a greater surface relaxation compared to noncycled catalysts. With 2-D lattice strain mapping, we show that the particle was about -3% strained with respect to pure Pt. While the observed enhancement in their activity is ascribed to such a strained lattice, our findings on the degradation kinetics establish that their extended catalytic durability is attributable to a sustained atomic order.

  9. Theoretical study of elastic, mechanical and thermodynamic properties of MgRh intermetallic compound

    Directory of Open Access Journals (Sweden)

    S. Boucetta

    2014-03-01

    Full Text Available In the last years, Magnesium alloys are known to be of great technological importance and high scientific interest. In this work, density functional theory plane-wave pseudo potential method, with local density approximation (LDA and generalized gradient approximation (GGA are used to perform first-principles quantum mechanics calculations in order to investigate the structural, elastic and mechanical properties of the intermetallic compound MgRh with a CsCl-type structure. Comparison of the calculated equilibrium lattice constant and experimental data shows good agreement. The elastic constants were determined from a linear fit of the calculated stress–strain function according to Hooke's law. From the elastic constants, the bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio σ, anisotropy factor A and the ratio B/G for MgRh compound are obtained. The sound velocities and Debye temperature are also predicted from elastic constants. Finally, the linear response method has been used to calculate the thermodynamic properties. The temperature dependence of the enthalpy H, free energy F, entropy S, and heat capacity at constant volume Cv of MgRh crystal in a quasi-harmonic approximation have been obtained from phonon density of states and discussed for the first report. This is the first quantitative theoretical prediction of these properties.

  10. Applications of Ni3Al Based Intermetallic Alloys—Current Stage and Potential Perceptivities

    Science.gov (United States)

    Jozwik, Pawel; Polkowski, Wojciech; Bojar, Zbigniew

    2015-01-01

    The paper presents an overview of current and prospective applications of Ni3Al based intermetallic alloys—modern engineering materials with special properties that are potentially useful for both structural and functional purposes. The bulk components manufactured from these materials are intended mainly for forging dies, furnace assembly, turbocharger components, valves, and piston head of internal combustion engines. The Ni3Al based alloys produced by a directional solidification are also considered as a material for the fabrication of jet engine turbine blades. Moreover, development of composite materials with Ni3Al based alloys as a matrix hardened by, e.g., TiC, ZrO2, WC, SiC and graphene, is also reported. Due to special physical and chemical properties; it is expected that these materials in the form of thin foils and strips should make a significant contribution to the production of high tech devices, e.g., Micro Electro-Mechanical Systems (MEMS) or Microtechnology-based Energy and Chemical Systems (MECS); as well as heat exchangers; microreactors; micro-actuators; components of combustion chambers and gasket of rocket and jet engines as well components of high specific strength systems. Additionally, their catalytic properties may find an application in catalytic converters, air purification systems from chemical and biological toxic agents or in a hydrogen “production” by a decomposition of hydrocarbons.

  11. Applications of Ni3Al Based Intermetallic Alloys—Current Stage and Potential Perceptivities

    Directory of Open Access Journals (Sweden)

    Pawel Jozwik

    2015-05-01

    Full Text Available The paper presents an overview of current and prospective applications of Ni3Al based intermetallic alloys—modern engineering materials with special properties that are potentially useful for both structural and functional purposes. The bulk components manufactured from these materials are intended mainly for forging dies, furnace assembly, turbocharger components, valves, and piston head of internal combustion engines. The Ni3Al based alloys produced by a directional solidification are also considered as a material for the fabrication of jet engine turbine blades. Moreover, development of composite materials with Ni3Al based alloys as a matrix hardened by, e.g., TiC, ZrO2, WC, SiC and graphene, is also reported. Due to special physical and chemical properties; it is expected that these materials in the form of thin foils and strips should make a significant contribution to the production of high tech devices, e.g., Micro Electro-Mechanical Systems (MEMS or Microtechnology-based Energy and Chemical Systems (MECS; as well as heat exchangers; microreactors; micro-actuators; components of combustion chambers and gasket of rocket and jet engines as well components of high specific strength systems. Additionally, their catalytic properties may find an application in catalytic converters, air purification systems from chemical and biological toxic agents or in a hydrogen “production” by a decomposition of hydrocarbons.

  12. Oxidation behavior of plasma sintered beryllium–titanium intermetallic compounds as an advanced neutron multiplier

    International Nuclear Information System (INIS)

    Kim, Jae-Hwan; Nakamichi, Masaru

    2013-01-01

    Beryllium intermetallic compounds (beryllides) such as Be 12 Ti are very promising candidates for advanced neutron multiplier materials in a demonstration fusion power reactor (DEMO). However, beryllides are too brittle to be fabricated either into pebble-type or rod-type shapes via conventional methods (i.e. arc melting and hot isostatic pressing). We have proposed a plasma sintering technique as a new method for beryllide fabrication, and our studies on the properties of plasma sintered beryllides are ongoing. In the present work, the oxidation properties of plasma sintered beryllides were investigated at 1273 K for 24 h in a dry air atmosphere to evaluate the high temperature properties of this material. Thermal gravimetry measurements indicate that specimens with larger fractions of Be 12 Ti phase corresponding to samples that have been sintered for longer time periods, exhibit superior oxidation properties. Our evaluation of the oxidation behavior of each phase in our beryllide samples is as follows: Be 12 Ti and Be 17 Ti 2 both have good oxidation resistance, owing to the formation of dense and protective scales, while the Be and Be 2 Ti phases are mainly responsible for thermal-gravimetry (TG) weight gains, which is indicative of severe oxidation. We attribute the degradation in oxidation resistance specifically to Be 2 Ti that transforms into TiO 2 , and also find this phase to be the cause of deterioration in the mechanical properties of samples, owing to cracks near Be 2 Ti phase conglomerates

  13. Computer modeling of point defects and diffusion in ordered intermetallic compounds

    Science.gov (United States)

    Mishin, Y.

    2003-03-01

    This paper gives an overview of the recent progress in the understanding of diffusion mechanisms in ordered intermetallic compounds, particularly the structural aluminides TiAl and NiAl. The long-range order of the crystal structure imposes selection rules on possible diffusion mechanisms. It favors mechanisms that either do not affect the order or destroy it only locally and temporarily but recover it once the diffusion cycle is complete. Atomistic simulation tools for studying point defects and diffusion in ordered structures are discussed and their applications are demonstrated. The compositional disorder in TiAl is accommodated by antisite defects on both sides of the stoichiometry. Diffusion in TiAl involves sublattice vacancy jumps, inter-sublattice jumps, and three-jump vacancy cycles. NiAl contains antisites on the Al sublattice in Ni-rich compositions and constitutional vacancies on the Ni sublattice in Al-rich compositions. Diffusion in NiAl is governed by several mechanisms operating concurrently, including sublattice diffusion of Ni vacancies, six-jump vacancy cycles, and other processes. Many of the vacancy jumps are collective transitions involving two atoms. The dominant diffusion mechanism depends on the temperature and the degree of off-stoichiometry. The diffusion coefficients obtained by atomistic calculations compare well with experimental data.

  14. Joining of the AMC Composites Reinforced with Ti3Al Intermetallic Particles by Resistance Butt Welding

    Directory of Open Access Journals (Sweden)

    Adamiak M.

    2016-06-01

    Full Text Available The introduction of new reinforcing materials continues to be investigated to improve the final behaviour of AMCs as well as to avoid some drawbacks of using ceramics as reinforcement. The present work investigates the structure, properties and ability of joining aluminium EN-AW 6061 matrix composite materials reinforced with Ti3Al particles by resistance butt welding as well as composite materials produced by mechanical milling, powder metallurgy and hot extrusion techniques. Mechanically milled and extruded composites show finer and better distribution of reinforcement particles, which leads to better mechanical properties of the obtained products. Finer microstructure improves mechanical properties of obtained composites. The hardness increases twice in the case of mechanically milled composites also, a higher reinforcement content results in higher particle dispersion hardening, for 15 wt.% of intermetallics reinforcement concentration composites reach about 400 MPa UTS. Investigation results of joints show that best hardness and tensile properties of joints can be achieved by altering soft conditions of butt welding process e.g. current flow time 1.2 s and current 1400 A. To improve mechanical properties of butt welding joints age hardening techniques can also be used.

  15. Effect on strength of ternary alloying additions in L12 intermetallics

    International Nuclear Information System (INIS)

    Wu Yuanpang.

    1991-01-01

    The thermodynamic properties of {111} antiphase boundaries (APBs) as well as the site preference of ternary additions in an A 3 B intermetallic with L1 2 structure are studied, using a thermodynamic model. A survey of the results from a variety of ternary alloying additions to Ni 3 Al has shown that there is a conflict in the actual role which solid solution strengthening plays in the athermal increment of yield strength. For instance, a good quantitative agreement with linear concentration law is observed only in alloys with stoichiometric compositions but not in the general case of non-stoichiometric alloys. In the light of the possibility that micro-segregation could explain the experimental discrepancy, the author extends the binary solid solution strengthening theory to the ternary system in an L1 2 structure for the four real systems of Ni-Al-Si, Ni-Al-Ti, Ni-Al-Hf, and Ni-Al-V. It is found that ternary site preference plays an important role in the ternary solid solution strengthening theory with L1 2 structure. Good quantitative agreement was found between the calculated and experimentally measured strength for both stoichiometric and nonstoichiometric alloys

  16. Improving of Corrosion Resistance of Aluminum Alloys by Removing Intermetallic Compound

    International Nuclear Information System (INIS)

    Seri, Osami

    2008-01-01

    It is well known that iron is one of the most common impurity elements sound in aluminum and its alloys. Iron in the aluminum forms an intermetallic compounds such as FeAl 3 . The FeAl 3 particles on the aluminum surface are one of the most detrimental phases to the corrosion process and anodizing procedure for aluminum and its alloys. Trial and error surface treatment will be carried out to find the preferential and effective removal of FeAl 3 particles on the surfaces without dissolution of aluminum matrix around the particles. One of the preferable surface treatments for the aim of getting FeAl 3 free surface was an electrochemical treatment such as cathodic current density of -2 kAm -2 in a 20-30 mass% HNO 3 solution for the period of 300s. The corrosion characteristics of aluminum surface with FeAl 3 free particles are examined in a 0.1 kmol/m 3 NaCl solution. It is found that aluminum with free FeAl 3 particles shows higher corrosion resistance than aluminum with FeAl 3 particles

  17. The effect of casting porosities on cavitational erosion of intermetallic alloy FeAl36

    Directory of Open Access Journals (Sweden)

    R. Jasionowski

    2010-07-01

    Full Text Available The machinery and equipment elements operating in a turbulent fluid flow, are exposed to destruction as a result of the impact of thecavitation, corrosion and abrasion processes, among which are hardest to minimize the imploding cavitation bubbles. Repeated cavitationimplosions of bubbles give rise to cracks, material loss, resulting in increased flow resistance and reduction of the efficiency of the device, or even its destruction. In order to prevent or mitigate the cavitation phenomenon and its harmful effects, two basic methods are applied. The first of these is the selection of geometrical parameters and hydraulic machinery and the relevant elements of the streamlined shape and flow channels. The second solution is the selection of engineering plastics with greater resistance to cavitation. In case of materials manufactured with the casting method, a very important role is being played by the quality of manufactured casting having the smallest number of casting defects. The aim of the present study was to examine the effect of casting porosities of an intermetallic alloy FeAl36 on cavitational erosion.

  18. Controlling intermetallic compound formation reaction between Sn and Ni-P by Zn addition

    International Nuclear Information System (INIS)

    Zhang, X.F.; Guo, J.D.; Shang, J.K.

    2009-01-01

    Effects of Zn addition on the interfacial reaction between Sn and Ni(P) were investigated by systematically varying the Zn concentration in the Sn solder. It was found that the typical Ni-Sn reaction product, Ni 3 Sn 4 phase, was changed substantially by adding small amounts of Zn to the Sn. With the Zn addition, the ternary Ni 4 (Sn 1-x ,Zn x ) phase formed at the interface during reflow and aging according to X-ray diffraction analysis. In the Ni 4 (Sn 1-x ,Zn x ) phase, the lattice parameters contracted with increasing Zn content, in agreement with the Vegard's law. Since diffusions of the reactive species through the denser ternary intermetallic compound were more unlikely than through the binary Ni 3 Sn 4 , the Zn-containing solder showed a much slower electroless Ni-P consumption rate than Sn. The decrease in Ni consumption rate increased with the increasing Zn content in Sn. The reason for the decrease was that the growth rate of Ni 4 (Sn 1-x ,Zn x ) phase was directly determined by substitution of Zn atoms into the Sn sublattice.

  19. Intermetallic Nickel-Titanium Alloys for Oil-Lubricated Bearing Applications

    Science.gov (United States)

    DellaCorte, C.; Pepper, S. V.; Noebe, R.; Hull, D. R.; Glennon, G.

    2009-01-01

    An intermetallic nickel-titanium alloy, NITINOL 60 (60NiTi), containing 60 wt% nickel and 40 wt% titanium, is shown to be a promising candidate material for oil-lubricated rolling and sliding contact applications such as bearings and gears. NiTi alloys are well known and normally exploited for their shape memory behavior. When properly processed, however, NITINOL 60 exhibits excellent dimensional stability and useful structural properties. Processed via high temperature, high-pressure powder metallurgy techniques or other means, NITINOL 60 offers a broad combination of physical properties that make it unique among bearing materials. NITINOL 60 is hard, electrically conductive, highly corrosion resistant, less dense than steel, readily machined prior to final heat treatment, nongalling and nonmagnetic. No other bearing alloy, metallic or ceramic encompasses all of these attributes. Further, NITINOL 60 has shown remarkable tribological performance when compared to other aerospace bearing alloys under oil-lubricated conditions. Spiral orbit tribometer (SOT) tests were conducted in vacuum using NITINOL 60 balls loaded between rotating 440C stainless steel disks, lubricated with synthetic hydrocarbon oil. Under conditions considered representative of precision bearings, the performance (life and friction) equaled or exceeded that observed with silicon nitride or titanium carbide coated 440C bearing balls. Based upon this preliminary data, it appears that NITINOL 60, despite its high titanium content, is a promising candidate alloy for advanced mechanical systems requiring superior and intrinsic corrosion resistance, electrical conductivity and nonmagnetic behavior under lubricated contacting conditions.

  20. Characterization of ceramics and intermetallics fabricated by self-propagating high-temperature synthesis

    International Nuclear Information System (INIS)

    Hurst, J.B.

    1989-05-01

    Three efforts aimed at investigating the process of self-propagating high temperature synthesis (SHS) for the fabrication of structural ceramics and intermetallics are summarized. Of special interest was the influence of processing variables such as exothermic dopants, gravity, and green state morphology in materials produced by SHS. In the first effort directed toward the fabrication of SiC, exothermic dopants of yttrium and zirconium were added to SiO2 or SiO2 + NiO plus carbon powder mix and processed by SHS. This approach was unsuccessful since it did not produce the desired product of crystalline SiC. In the second effort, the influence of gravity was investigated by examining Ni-Al microstructures which were produced by SHS combustion waves traveling with and opposite the gravity direction. Although final composition and total porosities of the combusted Ni-Al compounds were found to be gravity independent, larger pores were created in those specimens which were combusted opposite to the gravity force direction. Finally, it was found that green microstructure has a significant effect on the appearance of the combusted piece. Severe pressing laminations were observed to arrest the combustion front for TiC samples

  1. Anisotropic behavior and complex colinear magnetic structures of cerium and actinide intermetallics

    International Nuclear Information System (INIS)

    Cooper, B.R.

    1977-01-01

    A review is given of the experimental situation and degree of theoretical understanding for the occurrence of complex colinear magnetic structures in cerium and actinide intermetallics of NaCl structure. In doing this, emphasis is on the qualitative nature of the anisotropic effects necessary to understand the behavior. With this in mind we focus on the I to IA magnetic structure transition, and indeed more simply, on the occurrence of the IA magnetic structure which appears for CeBi, UAs, and some of the mixed uranium monopnictide-monochalcogenides. We show how the experimental observations involving properties related to the IA magnetic structure indicate important qualitative features of the physical mechanism involved. Through discussion of the possible analogue to the situation in UO 2 , the idea is introduced that magnetoelastic effects involving internal rearrangement modes may play a key role in the occurrence of the IA structure. Internal rearrangement modes are modes where one ionic species remains at its site in the undistorted crystal structure, and the other species is displaced from its position in the undistorted structure. We show that in a very natural way one can anticipate the possible occurrence of an internal rearrangement mode having a four-layer, periodic displacement sequence for planes for one species in the NaCl structure crystals, while the other species remains undisplaced. The presence of such a static lattice mode is susceptible to direct experimental observation. (author)

  2. Physical properties of the GaPd2 intermetallic catalyst in bulk and nanoparticle morphology

    DEFF Research Database (Denmark)

    Wencka, M.; Schwerin, J.; Klanjšek, M.

    2015-01-01

    Intermetallic compound GaPd2 is a highly selective catalyst material for the semi-hydrogenation of acetylene. We have determined anisotropic electronic, thermal and magnetic properties of a GaPd2 monocrystal along three orthogonal orthorhombic directions of the structure. By using 69Ga and 71Ga NMR...... properties of the GaPd2 phase on going from the bulk material to the nanoparticles morphology, we have synthesized GaPd2/SiO2 supported nanoparticles and determined their electronic DOS at εF from the 71Ga NMR spin-lattice relaxation rate. The electronic DOS of the GaPd2 was also studied theoretically from...... spectroscopy, we have determined the electric-field-gradient tensor at the Ga site in the unit cell and the Knight shift, which yields the electronic density of states (DOS) at the Fermi energy εF. The DOS at εF was determined independently also from the specific heat. To see the change of electronic...

  3. Synthesis and characterization of nanocrystalline NiTi intermetallic by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi, T. [Department of Materials Engineering, Isfahan University of Technology (IUT), Isfahan 84156-83111 (Iran, Islamic Republic of); Karimzadeh, F. [Department of Materials Engineering, Isfahan University of Technology (IUT), Isfahan 84156-83111 (Iran, Islamic Republic of)], E-mail: karimzadeh_f@cc.iut.ac.ir; Abbasi, M.H. [Department of Materials Engineering, Isfahan University of Technology (IUT), Isfahan 84156-83111 (Iran, Islamic Republic of)

    2008-07-25

    Mechanical alloying (MA) has been used to produce NiTi intermetallic with nanocrystalline structure from the elemental powders. The product was characterized using X-ray diffraction, scanning electron microscopy and microhardness measurements. The results showed that disordered B2-NiTi phase can be obtained with grain size of 25 nm, particle size of 15 {mu}m, lattice distortion and high microhardness of 1.2% and 922 HV, respectively. The mechanism of NiTi formation was investigated. In the early stages of MA, a composite lamellar structure of components is formed with the dissolution of Ti in Ni at the same time. The resulting solid solution finally leads to the formation of nanocrystalline disordered B2-NiTi phase. Annealing of the milled powder at 1173 K leads to grain growth, decrease of microhardness and transformation of disordered structure to ordered NiTi, with long-range order of 0.94. A small amount of NiTi{sub 2} and Ni{sub 3}Ti phases was also detected.

  4. Influence of low Co substitution on magnetoelastic properties of HoFe11Ti intermetallic compound

    International Nuclear Information System (INIS)

    Motevalizadeh, L.; Tajabor, N.; Sanavi Khoshnoud, D.; Fruchart, D.; Pourarian, F.

    2012-01-01

    The thermal expansion and magnetostriction of HoFe 11−x Co x Ti (x=0, 0.3, 0.7 and 1) intermetallic compounds were measured, using the strain gauge method in the temperature range 77–590 K under applied magnetic fields up to 1.5 T. Results show that for samples with x=0 and 0.3, both linear thermal expansion and linear thermal expansion coefficient exhibit anomalies below the Curie temperature. Below room temperature, the spontaneous volume magnetostriction decreases with Co content. For all compounds studied, the anisotropic magnetostriction shows similar behaviour in the measured temperature range. The magnetostriction compensation occurs above room temperature in all samples. The volume magnetostriction shows a linear dependence on the applied field and by approaching the Curie temperature this trend changes to parastrictive behaviour. The results of the spontaneous magnetostriction are discussed based on the local magnetic moment model. The contribution of magnetostriction attributed to the magnetic sublattices R and T (Fe or Co) is discussed. - Highlights: ► Magnetostriction of HoFe 11−x Co x Ti have been measured by using strain gauge method. ► The measurement was carried in 77–590 K under applied magnetic fields up to 1.5 T. ► Spontaneous volume magnetostriction and Invar effect decrease with Co substitution. ► Ho sublattice has negative contribution to spontaneous volume magnetostriction. ► Absolute values of anisotropic magnetostriction decrease slightly with Co content.

  5. Competition between magnetism and superconductivity in Eu-based intermetallic compounds

    Science.gov (United States)

    Stavinoha, Macy; Green, Lance; Chan, Julia; Morosan, Emilia

    Eu-based intermetallic compounds present a path to discover new correlated electronic behavior in quantum materials. Reports of superconductivity, intermediate valence behavior, and heavy fermions indicate that Eu-based compounds are promising routes to study the relationship between crystallography and electronic properties. The present work is focused on EuGa4, an antiferromagnet with TN = 16 K isostructural with the tetragonal RT2M2 (R = rare earth, T = transition metal, M = metal or metalloid) family that exhibits heavy fermion behavior and unconventional superconductivity. Single crystals of the doped series (Eu1-xLax)Ga4, (Eu1-xCax)Ga4, and Eu(Ga1-xAlx)4 have been grown using the self-flux method and tested for change in unit cell volume and magnetic susceptibility. Results show that doping with Ca (isoelectronic doping) and La (hole doping) reduce TN to 12.4 K and 2.3 K, respectively, for Ca doping up to x = 0.11 and La doping up to x = 0.74 without an associated change in unit cell volume. The series Eu(Ga1-xAlx)4 has shown incommensurate-to-commensurate magnetic transitions. Future studies will aim to further decrease TN and the unit cell volume using physical pressure and chemical pressure through doping. ICAM, Gordon and Betty Moore Foundation.

  6. Launch Load Resistant Spacecraft Mechanism Bearings Made From NiTi Superelastic Intermetallic Materials

    Science.gov (United States)

    DellaCorte, Christopher; Moore, Lewis (Chip) E., III

    2014-01-01

    Compared to conventional bearing materials (tool steel and ceramics), emerging Superelastic Intermetallic Materials (SIMs), such as 60NiTi, have significantly lower elastic modulus and enhanced strain capability. They are also immune to atmospheric corrosion (rusting). This offers the potential for increased resilience and superior ability to withstand static indentation load without damage. In this paper, the static load capacity of hardened 60NiTi 50mm bore ball-bearing races are measured to correlate existing flat-plate indentation load capacity data to an actual bearing geometry through the Hertz stress relations. The results confirmed the validity of using the Hertz stress relations to model 60NiTi contacts; 60NiTi exhibits a static stress capability (3.1GPa) between that of 440C (2.4GPa) and REX20 (3.8GPa) tool steel. When the reduced modulus and extended strain capability are taken into account, 60NiTi is shown to withstand higher loads than other bearing materials. To quantify this effect, a notional space mechanism, a 5kg mass reaction wheel, was modeled with respect to launch load capability when supported on 440C, 60NiTi and REX20 tool steel bearings. For this application, the use of REX20 bearings increased the static load capability of the mechanism by a factor of three while the use of 60NiTi bearings resulted in an order of magnitude improvement compared to the baseline 440C stainless steel bearings.

  7. Density functional investigation on structural, elastic, thermal and mechanical properties of NiTi intermetallic compound

    Science.gov (United States)

    Pagare, Gitanjali

    2017-05-01

    Theoretical study of structural, elastic, mechanical and thermal properties of B2-type binary intermetallic NiTi is performed using full-potential linearized augmented plane wave (FP-LAPW) method. In this approach the generalized gradient approximation and local spin density approximation is used for exchange-correlation (XC) potential. We have calculated the ground state properties using PBE-GGA and LDA approximations respectively such as lattice constant (a0 = 3.0140 Å and 2.9439 Å), bulk modulus (B = 161.58 GPa and 191.92 GPa) and pressure derivative of bulk modulus (B‧ = 4.21 and 4.15) for NiTi. Our calculated lattice constants are in good agreement with the experimental data available. A special attention has been paid to the determination of the second order elastic constants. The second order elastic constants (C11 = 308.58 GPa, C12 = 87.97 GPa and C44 = 57.90 GPa) have been calculated using PBE-GGA at ambient condition. In addition Poisson’s ratio (σ), Young’s Modulus (E), Shear modulus (GH) and the ratio of anisotropy factor (A) are also reported. Ductility/brittleness of this compound is further analyzed by calculating the B/GH ratio and Cauchy pressure (C12-C44). The studied compound is found to be ductile in nature. Sound wave velocities with Debye Temperature (θD) are also investigated.

  8. The Wiedemann–Franz–Lorenz relation for lead-free solder and intermetallic materials

    International Nuclear Information System (INIS)

    Yao, Yao; Fry, Jared; Fine, Morris E.; Keer, Leon M.

    2013-01-01

    Lead-free solders are replacing lead-rich solders in the electronics industry. Due to the limitation of available experimental data for thermal conductivity of lead-free solder and intermetallic compound (IMC) materials, the Wiedemann–Franz–Lorenz (WFL) relation is presented in this paper as a possible solution to predict thermal conductivity with known electrical conductivity. The method is based upon the fact that heat and electrical transport both involve free electrons. The thermal and electrical conductivities of Cu, Ni, Sn and different Sn-rich lead-free solder and IMC materials are studied by employing the WFL relation. Generally, analysis of the experimental data shows that the WFL relation is obeyed in both solder alloy and IMC materials, especially matching close to the relation for Sn, with a positive deviation from the theoretical Lorenz number. Thus, with the available electrical conductivity data, the thermal conductivity of solder and IMC materials can be obtained based on the proper WFL relation, and vice versa. A coupled thermal–electrical three-dimensional finite element analysis is performed to study the behavior of lead-free solder/IMC interconnects. Solder and IMC material properties predicted using the WFL relation are adopted in the computational model. By applying the WFL relation, the number of experiments required to determine the material properties for different lead-free solder/IMC interconnects can be significantly reduced, which can lead to pronounced savings of time and cost

  9. Data on a Laves phase intermetallic matrix composite in situ toughened by ductile precipitates

    Directory of Open Access Journals (Sweden)

    Alexander J. Knowles

    2017-10-01

    Full Text Available The data presented in this article are related to the research article entitled “Laves phase intermetallic matrix composite in situ toughened by ductile precipitates” (Knowles et al. [1]. The composite comprised a Fe2(Mo, Ti matrix with bcc (Mo, Ti precipitated laths produced in situ by an aging heat treatment, which was shown to confer a toughening effect (Knowles et al. [1]. Here, details are given on a focused ion beam (FIB slice and view experiment performed on the composite so as to determine that the 3D morphology of the bcc (Mo, Ti precipitates were laths rather than needles. Scanning transmission electron microscopy (S(TEM micrographs of the microstructure as well as energy dispersive X-ray spectroscopy (EDX maps are presented that identify the elemental partitioning between the C14 Laves matrix and the bcc laths, with Mo rejected from the matrix into laths. A TEM selected area diffraction pattern (SADP and key is provided that was used to validate the orientation relation between the matrix and laths identified in (Knowles et al. [1] along with details of the transformation matrix determined.

  10. Data on a new beta titanium alloy system reinforced with superlattice intermetallic precipitates

    Directory of Open Access Journals (Sweden)

    Alexander J. Knowles

    2018-04-01

    Full Text Available The data presented in this article are related to the research article entitled “a new beta titanium alloy system reinforced with superlattice intermetallic precipitates” (Knowles et al., 2018 [1]. This includes data from the as-cast alloy obtained using scanning electron microscopy (SEM and x-ray diffraction (XRD as well as SEM data in the solution heat treated condition. Transmission electron microscopy (TEM selected area diffraction patterns (SADPs are included from the alloy in the solution heat treated condition, as well as the aged condition that contained < 100 nm B2 TiFe precipitates [1], the latter of which was found to exhibit double diffraction owing to the precipitate and matrix channels being of a similar width to the foil thickness (Williams and Carter, 2009 [2]. Further details are provided on the macroscopic compression testing of small scale cylinders. Of the micropillar deformation experiment performed in [1], SEM micrographs of focused ion beam (FIB prepared 2 µm micropillars are presented alongside those obtained at the end of the in-situ SEM deformation as well as videos of the in-situ deformation. Further, a table is included that lists the Schmidt factors of all the possible slip systems given the crystal orientations and loading axis of the deformed micropillars in the solution heat treated and aged conditions.

  11. Effects of surface polishing and annealing on the optical conductivity of intermetallic compounds

    International Nuclear Information System (INIS)

    Rhee, Joo Yull

    1999-01-01

    The optical conductivity spectra of several intermetallic compounds were measured by spectroscopic ellipsometry. Three spectra were measured for each compound; just after the sample was mechanically polished, at high temperature, and after the sample was annealed at 110 .deg. C for at least one day and cooled to room temperature. An equiatomic FeTi alloy showed the typical effects of annealing after mechanical polishing of surface. The spectrum after annealing had a larger magnitude and sharper structures than the spectrum before annealing. We also observed shifts of peaks in the spectrum. A relatively low-temperature annealing gave rise to unexpectedly substantial effects, and the effects were explained by recrystallization and/or a disorder → order transition of the surface of the sample which was damaged and, hence, became highly disordered by mechanical polishing. Similar effects were also observed when the sample temperature was lowered. The observed changes upon annealing could partly be explained by presumption that the recrystallization would be realized in such a way that the average atomic spacing would be reduced

  12. Cast composites with Al-matrix reinforced with intermetallic carbide phases

    Directory of Open Access Journals (Sweden)

    M. Cholewa

    2010-10-01

    Full Text Available In this work authors presented collected results from studies concerning the manufacturing of metal matrix composites with reinforcement of intermetallic phases, mainly carbides, with use of different casting techniques. For composite matrix different Al-Si alloys were used. Presented results include microstructural studies, quantitative analysis, phases description and their chemical composition. In this part of the work authors characterized the transition zone between the reinforcing particles and metal matrix, showing the possibilities of controlling the properties of the transition zone and type of occurring transition phases.During the studies two casting methods were used: permanent mould casting and lost wax casting. Authors indicated restrictions and possibilities of these methods in dispersive composite elements reinforced with metallic particles. The characteristic feature of such particles is their physical and chemical reactivity, which deteriorates the rheological properties of the liquid dispersion. Selection of technological parameters for manufacturing and casting was aimed on proper filling of the mould with liquid dispersion.Both methods of casting were used for manufacturing of elements which technical application requires special tribological properties, eg. brake discs. Operating properties of all obtained composites were studied and analyzed. Authors showed the analysis of tribological studies connected with the composite structure and type and quantity of the reinforcement used.

  13. John Strong (1941 - 2006)

    CERN Multimedia

    Wickens, F

    Our friend and colleague John Strong was cruelly taken from us by a brain tumour on Monday 31st July, a few days before his 65th birthday John started his career working with a group from Westfield College, under the leadership of Ted Bellamy. He obtained his PhD and spent the early part of his career on experiments at Rutherford Appleton Laboratory (RAL), but after the early 1970s his research was focussed on experiments in CERN. Over the years he made a number of notable contributions to experiments in CERN: The Omega spectrometer adopted a system John had originally developed for experiments at RAL using vidicon cameras to record the sparks in the spark chambers; He contributed to the success of NA1 and NA7, where he became heavily involved in the electronic trigger systems; He was responsible for the second level trigger system for the ALEPH detector and spent five years leading a team that designed and built the system, which ran for twelve years with only minor interventions. Following ALEPH he tur...

  14. Stirring Strongly Coupled Plasma

    CERN Document Server

    Fadafan, Kazem Bitaghsir; Rajagopal, Krishna; Wiedemann, Urs Achim

    2009-01-01

    We determine the energy it takes to move a test quark along a circle of radius L with angular frequency w through the strongly coupled plasma of N=4 supersymmetric Yang-Mills (SYM) theory. We find that for most values of L and w the energy deposited by stirring the plasma in this way is governed either by the drag force acting on a test quark moving through the plasma in a straight line with speed v=Lw or by the energy radiated by a quark in circular motion in the absence of any plasma, whichever is larger. There is a continuous crossover from the drag-dominated regime to the radiation-dominated regime. In the crossover regime we find evidence for significant destructive interference between energy loss due to drag and that due to radiation as if in vacuum. The rotating quark thus serves as a model system in which the relative strength of, and interplay between, two different mechanisms of parton energy loss is accessible via a controlled classical gravity calculation. We close by speculating on the implicati...

  15. Strong-interaction nonuniversality

    International Nuclear Information System (INIS)

    Volkas, R.R.; Foot, R.; He, X.; Joshi, G.C.

    1989-01-01

    The universal QCD color theory is extended to an SU(3) 1 direct product SU(3) 2 direct product SU(3) 3 gauge theory, where quarks of the ith generation transform as triplets under SU(3)/sub i/ and singlets under the other two factors. The usual color group is then identified with the diagonal subgroup, which remains exact after symmetry breaking. The gauge bosons associated with the 16 broken generators then form two massive octets under ordinary color. The interactions between quarks and these heavy gluonlike particles are explicitly nonuniversal and thus an exploration of their physical implications allows us to shed light on the fundamental issue of strong-interaction universality. Nonuniversality and weak flavor mixing are shown to generate heavy-gluon-induced flavor-changing neutral currents. The phenomenology of these processes is studied, as they provide the major experimental constraint on the extended theory. Three symmetry-breaking scenarios are presented. The first has color breaking occurring at the weak scale, while the second and third divorce the two scales. The third model has the interesting feature of radiatively induced off-diagonal Kobayashi-Maskawa matrix elements

  16. Comparison of shear bond strength of the stainless steel metallic brackets bonded by three bonding systems

    Directory of Open Access Journals (Sweden)

    Mehdi Ravadgar

    2013-09-01

    Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP; in the second group, TBXT composite was bonded with the conventional method of acid etching; and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.

  17. Self-propagating reactive Al/Ni nanocomposites for bonding applications

    Science.gov (United States)

    Kremer, Matthias P.; Roshanghias, Ali; Tortschanoff, Andreas

    2017-12-01

    Highly reactive integrated material systems have recently gained attention, as they promise a feasible tool for heterogeneous integration of micro electromechanical systems. As integrated energy sources they can be used to join heterogeneous materials without applying too much thermal stress to the whole device. An alternative approach is proposed, comprising a single layer of a reactive nanocomposite made of intermixed metal nanoparticles, instead of multilayer systems. In this study the development of the reactive nanocomposite from choice of materials through processing steps, handling and application methods are described. Eventually the results of the experiments upon the reactivity of the nanocomposites and the feasibility for bonding applications are presented. Analysis of the composites was performed by phase-analysis using x-ray diffraction and reaction propagation analysis by high-speed imaging. Composition of products was found to vary with initial particle sizes. Beside of other phases, the dominant phase was intermetallic NiAl.

  18. Predictions of glass transition temperature for hydrogen bonding biomaterials.

    Science.gov (United States)

    van der Sman, R G M

    2013-12-19

    We show that the glass transition of a multitude of mixtures containing hydrogen bonding materials correlates strongly with the effective number of hydroxyl groups per molecule, which are available for intermolecular hydrogen bonding. This correlation is in compliance with the topological constraint theory, wherein the intermolecular hydrogen bonds constrain the mobility of the hydrogen bonded network. The finding that the glass transition relates to hydrogen bonding rather than free volume agrees with our recent finding that there is little difference in free volume among carbohydrates and polysaccharides. For binary and ternary mixtures of sugars, polyols, or biopolymers with water, our correlation states that the glass transition temperature is linear with the inverse of the number of effective hydroxyl groups per molecule. Only for dry biopolymer/sugar or sugar/polyol mixtures do we find deviations due to nonideal mixing, imposed by microheterogeneity.

  19. Bond yield curve construction

    Directory of Open Access Journals (Sweden)

    Kožul Nataša

    2014-01-01

    Full Text Available In the broadest sense, yield curve indicates the market's view of the evolution of interest rates over time. However, given that cost of borrowing it closely linked to creditworthiness (ability to repay, different yield curves will apply to different currencies, market sectors, or even individual issuers. As government borrowing is indicative of interest rate levels available to other market players in a particular country, and considering that bond issuance still remains the dominant form of sovereign debt, this paper describes yield curve construction using bonds. The relationship between zero-coupon yield, par yield and yield to maturity is given and their usage in determining curve discount factors is described. Their usage in deriving forward rates and pricing related derivative instruments is also discussed.

  20. Safe and Liquid Mortgage Bonds

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens; Gyntelberg, Jacob; Lund, Jesper

    eliminates credit risk from the investor's perspective. Similar to other safe bonds, funding liquidity becomes the main driver of mortgage bond liquidity and this creates commonality in liquidity across markets and countries. These findings have implications for how to design a robust mortgage bond system...

  1. Stability of molybdenum nanoparticles in Sn-3.8Ag-0.7Cu solder during multiple reflow and their influence on interfacial intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Haseeb, A.S.M.A., E-mail: haseeb@um.edu.my; Arafat, M.M., E-mail: arafat_mahmood@yahoo.com; Johan, Mohd Rafie, E-mail: mrafiej@um.edu.my

    2012-02-15

    This work investigates the effects of molybdenum nanoparticles on the growth of interfacial intermetallic compound between Sn-3.8Ag-0.7Cu solder and copper substrate during multiple reflow. Molybdenum nanoparticles were mixed with Sn-3.8Ag-0.7Cu solder paste by manual mixing. Solder samples were reflowed on a copper substrate in a 250 Degree-Sign C reflow oven up to six times. The molybdenum content of the bulk solder was determined by inductive coupled plasma-optical emission spectrometry. It is found that upon the addition of molybdenum nanoparticles to Sn-3.8Ag-0.7Cu solder, the interfacial intermetallic compound thickness and scallop diameter decreases under all reflow conditions. Molybdenum nanoparticles do not appear to dissolve or react with the solder. They tend to adsorb preferentially at the interface between solder and the intermetallic compound scallops. It is suggested that molybdenum nanoparticles impart their influence on the interfacial intermetallic compound as discrete particles. The intact, discrete nanoparticles, by absorbing preferentially at the interface, hinder the diffusion flux of the substrate and thereby suppress the intermetallic compound growth. - Highlights: Black-Right-Pointing-Pointer Mo nanoparticles do not dissolve or react with the SAC solder during reflow. Black-Right-Pointing-Pointer Addition of Mo nanoparticles results smaller IMC thickness and scallop diameter. Black-Right-Pointing-Pointer Mo nanoparticles influence the interfacial IMC through discrete particle effect.

  2. The chemical bond in inorganic chemistry the bond valence model

    CERN Document Server

    Brown, I David

    2016-01-01

    The bond valence model is a version of the ionic model in which the chemical constraints are expressed in terms of localized chemical bonds formed by the valence charge of the atoms. Theorems derived from the properties of the electrostatic flux predict the rules obeyed by both ionic and covalent bonds. They make quantitative predictions of coordination number, crystal structure, bond lengths and bond angles. Bond stability depends on the matching of the bonding strengths of the atoms, while the conflicting requirements of chemistry and space lead to the structural instabilities responsible for the unusual physical properties displayed by some materials. The model has applications in many fields ranging from mineralogy to molecular biology.

  3. The human-animal bond in academic veterinary medicine.

    Science.gov (United States)

    Rowan, Andrew N

    2008-01-01

    This article outlines the development of academic veterinary interest in the human-animal bond (HAB) and provides short summaries of the various centers currently studying the HAB at North American universities. Although most of these centers are at veterinary schools, the level of involvement by veterinarians is surprisingly low, considering how important a strong HAB is for the average veterinary practitioner (the stronger the bond, the more the client will be willing to pay for veterinary services).

  4. An assessment of bonding characteristics of a newly introduced bonding agent: "beauty ortho bond"

    Directory of Open Access Journals (Sweden)

    Padmashree Veeramachineni

    2010-01-01

    Conclusion: Although Transbond XT had higher bond strength, the BOB and FOLC showed clinically acceptable bond strengths. However, clean-up after debonding would be easier with the two latter materials.

  5. Effect of Electroless Ni–P Plating on the Bonding Strength of Bi–Te-Based Thermoelectric Modules

    Directory of Open Access Journals (Sweden)

    Kim S.S.

    2017-06-01

    Full Text Available In the present study, electroless Ni–P plating was applied to Bi–Te-based thermoelectric materials as a barrier layer and the effect of the Ni–P plating on the bonding strength of the thermoelectric module was investigated. The bonding strength of the n- and p-type modules increased after being subjected to the electroless Ni–P plating treatment. In the case of the thermoelectric module that was not subjected to electroless Ni–P plating, Sn and Te were interdiffused and formed a brittle Sn–Te-based metallic compound. The shearing mostly occurred on the bonding interface where such an intermetallic compound was formed. On the other hands, it was found from the FE-EPMA analysis of the bonding interface of thermoelectric module subjected to electroless Ni-P plating that the electroless Ni-P plating acted as an anti-diffusion layer, preventing the interdiffusion of Sn and Te. Therefore, by forming such an anti-diffusion layer on the surface of the Bi–Te based thermoelectric element, the bonding strength of the thermoelectric module could be increased.

  6. Corrosion Behavior and Strength of Dissimilar Bonding Material between Ti and Mg Alloys Fabricated by Spark Plasma Sintering

    Science.gov (United States)

    Pripanapong, Patchara; Kariya, Shota; Luangvaranunt, Tachai; Umeda, Junko; Tsutsumi, Seiichiro; Takahashi, Makoto; Kondoh, Katsuyoshi

    2016-01-01

    Ti and solution treated Mg alloys such as AZ31B (ST), AZ61 (ST), AZ80 (ST) and AZ91 (ST) were successfully bonded at 475 °C by spark plasma sintering, which is a promising new method in welding field. The formation of Ti3Al intermetallic compound was found to be an important factor in controlling the bonding strength and galvanic corrosion resistance of dissimilar materials. The maximum bonding strength and bonding efficiency at 193 MPa and 96% were obtained from Ti/AZ91 (ST), in which a thick and uniform nano-level Ti3Al layer was observed. This sample also shows the highest galvanic corrosion resistance with a measured galvanic width and depth of 281 and 19 µm, respectively. The corrosion resistance of the matrix on Mg alloy side was controlled by its Al content. AZ91 (ST) exhibited the highest corrosion resistance considered from its corrode surface after corrosion test in Kroll’s etchant. The effect of Al content in Mg alloy on bonding strength and corrosion behavior of Ti/Mg alloy (ST) dissimilar materials is discussed in this work. PMID:28773788

  7. Corrosion Behavior and Strength of Dissimilar Bonding Material between Ti and Mg Alloys Fabricated by Spark Plasma Sintering

    Directory of Open Access Journals (Sweden)

    Patchara Pripanapong

    2016-08-01

    Full Text Available Ti and solution treated Mg alloys such as AZ31B (ST, AZ61 (ST, AZ80 (ST and AZ91 (ST were successfully bonded at 475 °C by spark plasma sintering, which is a promising new method in welding field. The formation of Ti3Al intermetallic compound was found to be an important factor in controlling the bonding strength and galvanic corrosion resistance of dissimilar materials. The maximum bonding strength and bonding efficiency at 193 MPa and 96% were obtained from Ti/AZ91 (ST, in which a thick and uniform nano-level Ti3Al layer was observed. This sample also shows the highest galvanic corrosion resistance with a measured galvanic width and depth of 281 and 19 µm, respectively. The corrosion resistance of the matrix on Mg alloy side was controlled by its Al content. AZ91 (ST exhibited the highest corrosion resistance considered from its corrode surface after corrosion test in Kroll’s etchant. The effect of Al content in Mg alloy on bonding strength and corrosion behavior of Ti/Mg alloy (ST dissimilar materials is discussed in this work.

  8. A study of atomic distribution in the intermetallic compound by AP-FIM

    International Nuclear Information System (INIS)

    Ren, D.G.

    1993-01-01

    This paper reports a study of the atomic distributions in the intermetallic compound by field ion microscope and atom probe (AP-FIM). The samples used in this work had nearly stoichiometry composition of Ni 3 Al with boron and without boron. The samples of TiAl also had nearly stoichiometry composition and adding Zr and Mn. The field ion image of Ni 3 Al without boron displays essentially the ordered f.c.c. crystal structure (Ll 2 ) with the center of (001) face. The field ion image of B-doped Ni 3 Al shows that the extent of ordering is reduced by addition of boron. The results of AP analysis show that the distribution of boron atom in Ni 3 Al is approximately homogeneous for the low boron contents. The atomic arrangements of Ni and Al in Ni 3 Al crystal lattice were changed by addition of boron. It is shown in the probability of consecutive evaporative sequence Al-Al and Ni-Ni is increased with B-doping. The field ion image of TiAl shows two regions with ordered f.c.t crystal structure (r-TiAl) and disordered. The distributions of Ti and Al atoms in the TiAl alloy show that the structure of a lamellar mixture were confirmed by AP profiles. The results of AP analysis show that distributions of Ti, Al, Mn and Zr in the alloy essentially is homogeneous. The results of AP analysis also exhibit that the interface of an oxide exists in the alloys. These interfaces of oxides consist of TiO and AlO in the TiAl, NiO in the Ni 3 Al. The broadness of the oxides interface were estimated about 8-10nm

  9. The atomic structure of low-index surfaces of the intermetallic compound InPd

    Energy Technology Data Exchange (ETDEWEB)

    McGuirk, G. M.; Ledieu, J.; Gaudry, É.; Weerd, M.-C.; Fournée, V. de, E-mail: vincent.fournee@univ-lorraine.fr [Institut Jean Lamour (UMR 7198 CNRS-Université de Lorraine), Parc de Saurupt, F-54011 Nancy Cedex (France); Hahne, M.; Gille, P. [Department of Earth and Environmental Sciences, Crystallography Section, Ludwig-Maximilians-Universität München, Theresienstrasse 41, D-80333 München (Germany); Ivarsson, D. C. A.; Armbrüster, M. [Faculty of Natural Sciences, Institute of Chemistry, Materials for Innovative Energy Concepts, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Ardini, J.; Held, G. [Department of Chemistry, University of Reading, Reading RG6 6AD (United Kingdom); Diamond Light Source Ltd, Didcot OX11 0DE (United Kingdom); Maccherozzi, F. [Diamond Light Source Ltd, Didcot OX11 0DE (United Kingdom); Bayer, A. [Lehrstuhl für Physikalische Chemie II, Universität Erlangen-Nürnberg, Egerlandstraße 3, D-91058 Erlangen (Germany); Lowe, M. [Surface Science Research Centre and Department of Physics, The University of Liverpool, Liverpool L69 3BX (United Kingdom); Pussi, K. [Department of Mathematics and Physics, Lappeenranta University of Technology, P.O. Box 20, FIN-53851 Lappeenranta (Finland); Diehl, R. D. [Department of Physics, Penn State University, University Park, Pennsylvania 16802 (United States)

    2015-08-21

    The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces. The near-surface regions remain slightly Pd-rich until annealing to ∼580 K. A transition occurs between 580 and 660 K where In segregates towards the surface and the near-surface regions become slightly In-rich above ∼660 K. This transition is accompanied by a sharpening of LEED patterns and formation of flat step-terrace morphology, as observed by STM. Several superstructures have been identified for the different surfaces associated with this process. Annealing to higher temperatures (≥750 K) leads to faceting via thermal etching as shown for the (110) surface, with a bulk In composition close to the In-rich limit of the existence domain of the cubic phase. The Pd-rich InPd(111) is found to be consistent with a Pd-terminated bulk truncation model as shown by dynamical LEED analysis while, after annealing at higher temperature, the In-rich InPd(111) is consistent with an In-terminated bulk truncation, in agreement with density functional theory (DFT) calculations of the relative surface energies. More complex surface structures are observed for the (100) surface. Additionally, individual grains of a polycrystalline sample are characterized by micro-spot XPS and LEED as well as low-energy electron microscopy. Results from both individual grains and “global” measurements are interpreted based on comparison to our single crystals findings, DFT calculations and previous literature.

  10. Structural-Phase Low-Stability States of BCC-Intermetallic Compounds with APB Complexes

    Science.gov (United States)

    Potekaev, A. I.; Chaplygina, A. A.; Chaplygin, P. A.; Starostenkov, M. D.; Kulagina, V. V.; Klopotov, A. A.

    2018-02-01

    Using a mono-nickel aluminide (NiAl) as an example, the influence of APB complexes (a pair of shear APBs along the direction and a pair of APBs along the direction) on the low-stability pre-transitional states of BCC-intermetallic compounds is investigated by the Monte Carlo method. It is shown that in the region of the low-stability states of this compound the formation energy of a complex of thermal APBs is higher than that of a complex of shear APBs. The contribution of APBs into disordering is essential up to the structural-phase transformation temperature. The most significant factor for the long-range ordering in the system is the appearance of a defect in the form of an APB itself, while the differences in the APB types and planes of their occurrence do not so essentially affect the long-range order behavior with the temperature variations. A system with structural defects is obviously less ordered compared to a defect-free system. The presence of a defect in the form of an APB promotes disordering of the system at lower temperatures: the degree of ordering starts to decrease in the case of thermal APBs at a lower temperature compared to the case of shear APBs. In the NiAl alloy with a complex of APBs, the first distortions of the structural order invariably appear near the Al-Al boundary. In the alloy with a complex of shear APBs, the distortions of the structural order are observed only in the regions where the boundaries cross. The presence of antiphase boundaries affects the alloy stability during heating. It is shown that the process of disordering is accompanied by smearing of the boundaries and their faceting.

  11. Effects of Metallic Nanoparticles on Interfacial Intermetallic Compounds in Tin-Based Solders for Microelectronic Packaging

    Science.gov (United States)

    Haseeb, A. S. M. A.; Arafat, M. M.; Tay, S. L.; Leong, Y. M.

    2017-10-01

    Tin (Sn)-based solders have established themselves as the main alternative to the traditional lead (Pb)-based solders in many applications. However, the reliability of the Sn-based solders continues to be a concern. In order to make Sn-based solders microstructurally more stable and hence more reliable, researchers are showing great interest in investigating the effects of the incorporation of different nanoparticles into them. This paper gives an overview of the influence of metallic nanoparticles on the characteristics of interfacial intermetallic compounds (IMCs) in Sn-based solder joints on copper substrates during reflow and thermal aging. Nanocomposite solders were prepared by mechanically blending nanoparticles of nickel (Ni), cobalt (Co), zinc (Zn), molybdenum (Mo), manganese (Mn) and titanium (Ti) with Sn-3.8Ag-0.7Cu and Sn-3.5Ag solder pastes. The composite solders were then reflowed and their wetting characteristics and interfacial microstructural evolution were investigated. Through the paste mixing route, Ni, Co, Zn and Mo nanoparticles alter the morphology and thickness of the IMCs in beneficial ways for the performance of solder joints. The thickness of Cu3Sn IMC is decreased with the addition of Ni, Co and Zn nanoparticles. The thickness of total IMC layer is decreased with the addition of Zn and Mo nanoparticles in the solder. The metallic nanoparticles can be divided into two groups. Ni, Co, and Zn nanoparticles undergo reactive dissolution during solder reflow, causing in situ alloying and therefore offering an alternative route of alloy additions to solders. Mo nanoparticles remain intact during reflow and impart their influence as discrete particles. Mechanisms of interactions between different types of metallic nanoparticles and solder are discussed.

  12. BOND: Bayesian Oxygen and Nitrogen abundance Determinations

    Science.gov (United States)

    Vale Asari, N.; Stasinska, G.; Morisset, C.; Cid Fernandes, R.

    2018-01-01

    BOND determines oxygen and nitrogen abundances in giant H II regions by comparison with a large grid of photoionization models. The grid spans a wide range in O/H, N/O and ionization parameter U, and covers different starburst ages and nebular geometries. Unlike other statistical methods, BOND relies on the [Ar III]/[Ne III] emission line ratio to break the oxygen abundance bimodality. By doing so, it can measure oxygen and nitrogen abundances without assuming any a priori relation between N/O and O/H. BOND takes into account changes in the hardness of the ionizing radiation field, which can come about due to the ageing of H II regions or the stochastically sampling of the IMF. The emission line ratio He I/Hβ, in addition to commonly used strong lines, constrains the hardness of the ionizing radiation field. BOND relies on the emission line ratios [O III]/Hβ, [O II]/Hβ and [N II]/Hβ, [Ar III]/Hβ, [Ne III]/Hβ, He I/Hβ as its input parameters, while its output values are the measurements and uncertainties for O/H and N/O.

  13. Optimal Investment in Structured Bonds

    DEFF Research Database (Denmark)

    Jessen, Pernille; Jørgensen, Peter Løchte

    The paper examines the role of structured bonds in the optimal portfolio of a small retail investor. We consider the typical structured bond essentially repacking an exotic option and a zero coupon bond, i.e. an investment with portfolio insurance. The optimal portfolio is found when the investment...... opportunities consist of a risky reference fund, a risk-free asset and a structured bond. Key model elements are the trading strategy and utility function of the investor. Our numerical results indicate structured bonds do have basis for consideration in the optimal portfolio. The product holdings...

  14. Enhanced bonding property of cold-sprayed Zn-Al coating on interstitial-free steel substrate with a nanostructured surface layer

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Y.L. [University of Science and Technology of China, 96 Jinzhai Road, Hefei 230026 (China); Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Advanced Technology Division, Research Institute, Baoshan Iron & Steel Co., Ltd., 655 Fujin Road, Shanghai 201900 (China); Wang, Z.B., E-mail: zbwang@imr.ac.cn [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Zhang, J. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Zhang, J.B. [Advanced Technology Division, Research Institute, Baoshan Iron & Steel Co., Ltd., 655 Fujin Road, Shanghai 201900 (China); Lu, K. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China)

    2016-11-01

    Highlights: • A nanostructured surface layer was produced on hot-rolled interstitial-free steel. • Zn-Al coating was cold-sprayed on the steel plate with nanostructured surface layer. • Bonding strength of the coating on the nanostructured surface increases ∼30%. • Improved bonding property was due to promoted diffusion and hardness in surface layer. • No further increase in bonding property was achieved after annealing at 400 °C. - Abstract: By means of surface mechanical attrition treatment (SMAT), a gradient nanostructured surface layer was fabricated on a hot-rolled interstitial-free steel plate. A Zn-Al coating was subsequently deposited on the SMAT sample by using cold spray process. The bonding property of the coating on the SMAT substrate was compared with that on the coarse-grained (CG) sample. Stud-pull tests showed that the bonding strength in the as-sprayed SMAT sample is ∼30% higher than that in the as-sprayed CG sample. No further improvement in bonding strength was achieved in the coated SMAT sample after annealing at 400 °C, mostly due to the formation of cracks and intermetallic compounds at the coating/substrate interface in an earlier stage (<30 min) and in a final stage (>90 min), respectively. The enhanced bonding property of the Zn-Al coating on the SMAT sample might be related with the promoted atomic diffusion and hardness in the nanostructured surface layer.

  15. The role of Ga in the acetylene adsorption on PdGa intermetallic

    Science.gov (United States)

    Sandoval, M.; Bechthold, P.; Orazi, V.; González, E. A.; Juan, A.; Jasen, P. V.

    2018-03-01

    We performed density functional calculation of the acetylene hydrogenation reaction on the PdGa(110) surface. The reaction C2H2+H2 → C2H4 is modeled and understood in terms of chemical bonding change. The evolution of electronic structure and electron density plot also shed more light on the role of Pd, Ga and C2H2 during the hydrogenation reactions. This new way of looking at a particular chemical reaction includes the changes in bond order in the different reaction steps. As mentioned before the role of Ga is revealed as a part of the active site and not a single spacer.

  16. Enormous Hydrogen Bond Strength Enhancement through π-Conjugation Gain: Implications for Enzyme Catalysis.

    Science.gov (United States)

    Wu, Chia-Hua; Ito, Keigo; Buytendyk, Allyson M; Bowen, K H; Wu, Judy I

    2017-08-22

    Surprisingly large resonance-assistance effects may explain how some enzymes form extremely short, strong hydrogen bonds to stabilize reactive oxyanion intermediates and facilitate catalysis. Computational models for several enzymic residue-substrate interactions reveal that when a π-conjugated, hydrogen bond donor (XH) forms a hydrogen bond to a charged substrate (Y - ), XH can become significantly more π-electron delocalized, and this "extra" stabilization may boost the [XH···Y - ] hydrogen bond strength by ≥15 kcal/mol. This reciprocal relationship departs from the widespread pK a concept (i.e., the idea that short, strong hydrogen bonds form when the interacting moieties have matching pK a values), which has been the rationale for enzymic acid-base reactions. The findings presented here provide new insight into how short, strong hydrogen bonds could form in enzymes.

  17. The effect of graphene on the intermetallic and joint strength of Sn-3.5Ag lead-free solder

    Science.gov (United States)

    Mayappan, R.; Salleh, A.; Andas, J.

    2017-09-01

    Solder has been widely used in electronic industry as interconnection for electronic packaging. European Union and Japan have restricted the use of Sn-Pb solder as it contains lead which can harmful to human health and environment. Due to this, many researches have been done in order to find a suitable replacement for the lead solder. Although many lead-free solders are available, the Sn-3.5Ag solder with the addition of graphene seem to be a suitable candidate. In this study, a 0.07 wt% graphene nanosheet was added into the Sn-3.5Ag solder and this composite solder was prepared under powder metallurgy method. The solder was reacted with copper substrate at 250 °C for one minute. For joint strength analysis, two copper strips were soldered together. The solder joint was aged at temperature 100 °C for 500 hours. Scanning Electron Microscope (SEM) was used to observe the interfacial reaction and Instron machine was used to determine the joint strength. Cu6Sn5 intermetallic layer was formed at the interface between the Cu substrate and the solders. Composite solder showed the retardation of the intermetallic growth compared to the plain solder. The thickness value of the intermetallic was used to calculate the growth rate the IMC. The graphene nanosheets added solder has lower growth rate which is 3.86 × 10-15 cm2/s compared to the plain solder 7.15 × 10-15 cm2/s. Shear strength analysis show that the composite solder has higher joint compared to the plain solder.

  18. Synthesis of Fe-Al-Ti Based Intermetallics with the Use of Laser Engineered Net Shaping (LENS

    Directory of Open Access Journals (Sweden)

    Monika Kwiatkowska

    2015-04-01

    Full Text Available The Laser Engineered Net Shaping (LENS technique was combined with direct synthesis to fabricate L21-ordered Fe-Al-Ti based intermetallic alloys. It was found that ternary Fe-Al-Ti alloys can be synthesized using the LENS technique from a feedstock composed of a pre-alloyed Fe-Al powder and elemental Ti powder. The obtained average compositions of the ternary alloys after the laser deposition and subsequent annealing were quite close to the nominal compositions, but the distributions of the elements in the annealed samples recorded over a large area were inhomogeneous. No traces of pure Ti were observed in the deposited alloys. Macroscopic cracking and porosity were observed in all investigated alloys. The amount of porosity in the samples was less than 1.2 vol. %. It seems that the porosity originates from the porous pre-alloyed Fe-Al powders. Single-phase (L21, two-phase (L21-C14 and multiphase (L21-A2-C14 Fe-Al-Ti intermetallic alloys were obtained from the direct laser synthesis and annealing process. The most prominent feature of the ternary Fe-Al-Ti intermetallics synthesized by the LENS method is their fine-grained structure. The grain size is in the range of 3–5 μm, indicating grain refinement effect through the highly rapid cooling of the LENS process. The Fe-Al-Ti alloys synthesized by LENS and annealed at 1000 °C in the single-phase B2 region were prone to an essential grain growth. In contrast, the alloys annealed at 1000 °C in the two-phase L21-C14 region exhibited almost constant grain size values after the high-temperature annealing.

  19. Additional disulfide bonds in insulin

    DEFF Research Database (Denmark)

    Vinther, Tine N; Pettersson, Ingrid; Huus, Kasper

    2015-01-01

    The structure of insulin, a glucose homeostasis-controlling hormone, is highly conserved in all vertebrates and stabilized by three disulfide bonds. Recently, we designed a novel insulin analogue containing a fourth disulfide bond located between positions A10-B4. The N-terminus of insulin's B......-chain is flexible and can adapt multiple conformations. We examined how well disulfide bond predictions algorithms could identify disulfide bonds in this region of insulin. In order to identify stable insulin analogues with additional disulfide bonds, which could be expressed, the Cβ cut-off distance had...... in comparison to analogues with additional disulfide bonds that were more difficult to predict. In contrast, addition of the fourth disulfide bond rendered all analogues resistant to fibrillation under stress conditions and all stable analogues bound to the insulin receptor with picomolar affinities. Thus...

  20. Oxytocin and mutual communication in mother-infant bonding

    Directory of Open Access Journals (Sweden)

    Miho eNagasawa

    2012-02-01

    Full Text Available Mother-infant bonding is universal to all mammalian species. In this review, we describe the manner in which reciprocal communication between the mother and infant leads to mother-infant bonding in rodents. In rats and mice, mother-infant bond formation is reinforced by various social stimuli, such as tactile stimuli and ultrasonic vocalizations from the pups to the mother, and feeding and tactile stimulation from the mother to the pups. Some evidence suggests that mother and infant can develop a cross-modal sensory recognition of their counterpart during this bonding process. Neurochemically, oxytocin in the neural system plays a pivotal role in each side of the mother-infant bonding process, although the mechanisms underlying bond formation in the brains of infants has not yet been clarified. Impairment of mother-infant bonding, that is, deprivation of social stimuli from the mother, strongly influences offspring sociality, including maternal behavior toward their own offspring in their adulthood, implying a non-genomic transmission of maternal environment, even in rodents. The comparative understanding of cognitive functions between mother and infants, and the biological mechanisms involved in mother-infant bonding may help us understand psychiatric disorders associated with mother-infant relationships.

  1. Fitting the pieces of the puzzle: the δ bond.

    Science.gov (United States)

    Falvello, Larry R; Foxman, Bruce M; Murillo, Carlos A

    2014-09-15

    The development of our understanding of the δ bond and its role in quadruple metal-metal bonding is described in terms of the conceptual advances and experimental and theoretical results achieved through a 50-year period beginning with the seminal report by Cotton and co-workers in 1964. The work behind the original discovery is described, along with the qualitative orbital description of the components of the quadruple bond. The effect of torsion about the metal-metal axis on the metal-metal bond length is described, together with the conclusion that this accords with a progressive loss of the δ component of the metal-metal bond. The important role of photoelectron spectroscopy in characterizing the loss of electrons from the metal-metal bonding orbitals is reviewed, as are the electron paramagnetic resonance results that establish that unpaired electrons, when present, populate metal-based orbitals. Other important results are described: destabilization of the metal-metal bond to produce strong reducing agents, exceptions to the expected orbital ordering, and the use of chiroptical properties to reveal additional information about the electronic structure of the metal-metal bond.

  2. Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

    International Nuclear Information System (INIS)

    Sujan, G.K.; Haseeb, A.S.M.A.; Afifi, A.B.M.

    2014-01-01

    Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticle doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu 6 Sn 5 from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus, doping of flux

  3. Processing, Microstructure and Creep Behavior of Mo-Si-B-Based Intermetallic Alloys for Very High Temperature Structural Applications

    Energy Technology Data Exchange (ETDEWEB)

    Vijay Vasudevan

    2008-03-31

    This research project is concerned with developing a fundamental understanding of the effects of processing and microstructure on the creep behavior of refractory intermetallic alloys based on the Mo-Si-B system. In the first part of this project, the compression creep behavior of a Mo-8.9Si-7.71B (in at.%) alloy, at 1100 and 1200 C was studied, whereas in the second part of the project, the constant strain rate compression behavior at 1200, 1300 and 1400 C of a nominally Mo-20Si-10B (in at.%) alloy, processed such as to yield five different {alpha}-Mo volume fractions ranging from 5 to 46%, was studied. In order to determine the deformation and damage mechanisms and rationalize the creep/high temperature deformation data and parameters, the microstructure of both undeformed and deformed samples was characterized in detail using x-ray diffraction, scanning electron microscopy (SEM) with back scattered electron imaging (BSE) and energy dispersive x-ray spectroscopy (EDS), electron back scattered diffraction (EBSD)/orientation electron microscopy in the SEM and transmission electron microscopy (TEM). The microstructure of both alloys was three-phase, being composed of {alpha}-Mo, Mo{sub 3}Si and T2-Mo{sub 5}SiB{sub 2} phases. The values of stress exponents and activation energies, and their dependence on microstructure were determined. The data suggested the operation of both dislocation as well as diffusional mechanisms, depending on alloy, test temperature, stress level and microstructure. Microstructural observations of post-crept/deformed samples indicated the presence of many voids in the {alpha}-Mo grains and few cracks in the intermetallic particles and along their interfaces with the {alpha}-Mo matrix. TEM observations revealed the presence of recrystallized {alpha}-Mo grains and sub-grain boundaries composed of dislocation arrays within the grains (in Mo-8.9Si-7.71B) or fine sub-grains with a high density of b = 1/2<111> dislocations (in Mo-20Si-10B), which

  4. Preparation and characterization of the Li(17)Pb(83) eutectic alloy and the LiPb intermetallic compound

    International Nuclear Information System (INIS)

    Jauch, U.; Karcher, V.; Schulz, B.

    1986-01-01

    Li(17)Pb(83) and LiPb were prepared from the pure elements in amounts of several hundred grams. The resolidified samples were characterized by melting points (eutectic temperature), chemical analysis and metallography. Using differential thermal analysis the heats of fusion were determined and the behaviour of the intermetallic phase LiPb in vacuum and high purified He was studied. The results from these investigations were applied to characterize Li(17)Pb(83) prepared in high amounts for technical application as a potential liquid breeder material. (orig.)

  5. Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

    Energy Technology Data Exchange (ETDEWEB)

    Sujan, G.K., E-mail: sgkumer@gmail.com; Haseeb, A.S.M.A., E-mail: haseeb@um.edu.my; Afifi, A.B.M., E-mail: amalina@um.edu.my

    2014-11-15

    Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticle doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus, doping

  6. 26 CFR 1.144-1 - Qualified small issue bonds, qualified student loan bonds, and qualified redevelopment bonds.

    Science.gov (United States)

    2010-04-01

    ... student loan bonds, and qualified redevelopment bonds. (a) Overview. Interest on a private activity bond... 26 Internal Revenue 2 2010-04-01 2010-04-01 false Qualified small issue bonds, qualified student loan bonds, and qualified redevelopment bonds. 1.144-1 Section 1.144-1 Internal Revenue INTERNAL...

  7. Fluorine-enhanced low-temperature wafer bonding of native-oxide covered Si wafers

    Science.gov (United States)

    Tong, Q.-Y.; Gan, Q.; Fountain, G.; Enquist, P.; Scholz, R.; Gösele, U.

    2004-10-01

    The bonding energy of bonded native-oxide-covered silicon wafers treated in the HNO3/H2O/HF or the HNO3/HF solution prior to room-temperature contact is significantly higher than bonded standard RCA1 cleaned wafer pairs after low-temperature annealing. The bonding energy reaches over 2000mJ/m2 after annealing at 100 °C. The very slight etching and fluorine in the chemically grown oxide are believed to be the main contributors to the enhanced bonding energy. Transmission-electron-microscopic images have shown that the chemically formed native oxide at bonding interface is embedded with many flake-like cavities. The cavities can absorb the by-products of the interfacial reactions that result in covalent bond formation at low temperatures allowing the strong bond to be retained.

  8. Bonding and nondestructive evaluation of graphite/PEEK composite and titanium adherends with thermoplastic adhesives

    Science.gov (United States)

    Hodges, W. T.; Tyeryar, J. R.; Berry, M.

    1985-01-01

    Bonded single overlap shear specimens were fabricated from Graphite/PEEK (Polyetheretherketone) composite adherends and titanium adherends. Six advanced thermoplastic adhesives were used for the bonding. The specimens were bonded by an electromagnetic induction technique producing high heating rates and high-strength bonds in a few minutes. This contrasts with conventionally heated presses or autoclaves that take hours to process comparable quality bonds. The Graphite/PEEK composites were highly resistant to delamination during the testing. This allowed the specimen to fail exclusively through the bondline, even at very high shear loads. Nondestructive evaluation of bonded specimens was performed ultrasonically by energizing the entire thickness of the material through the bondline and measuring acoustic impedance parameters. Destructive testing confirmed the unique ultrasonic profiles of strong and weak bonds, establishing a standard for predicting relative bond strength in subsequent specimens.

  9. Collision Induced Dissociation Products of Disulfide-Bonded Peptides: Ions Result from the Cleavage of More Than One Bond

    Science.gov (United States)

    Clark, Daniel F.; Go, Eden P.; Toumi, Melinda L.; Desaire, Heather

    2011-03-01

    Disulfide bonds are a post-translational modification (PTM) that can be scrambled or shuffled to non-native bonds during recombinant expression, sample handling, or sample purification. Currently, mapping of disulfide bonds is not easy because of various sample requirements and data analysis difficulties. One step towards facilitating this difficult work is developing a better understanding of how disulfide-bonded peptides fragment during collision induced dissociation (CID). Most automated analysis algorithms function based on the assumption that the preponderance of product ions observed during the dissociation of disulfide-bonded peptides result from the cleavage of just one peptide bond, and in this report we tested that assumption by extensively analyzing the product ions generated when several disulfide-bonded peptides are subjected to CID on a quadrupole time of flight (QTOF) instrument. We found that one of the most common types of product ions generated resulted from two peptide bond cleavages, or a double cleavage. We found that for several of the disulfide-bonded peptides analyzed, the number of double cleavage product ions outnumbered those of single cleavages. The influence of charge state and precursor ion size was investigated, to determine if those parameters dictated the amount of double cleavage product ions formed. It was found in this sample set that no strong correlation existed between the charge state or peptide size and the portion of product ions assigned as double cleavages. These data show that these ions could account for many of the product ions detected in CID data of disulfide bonded peptides. We also showed the utility of double cleavage product ions on a peptide with multiple cysteines present. Double cleavage products were able to fully characterize the bonding pattern of each cysteine where typical single b/ y cleavage products could not.

  10. Investigation of local magnetism in RZn (R = Ce, Gd, Tb, Dy) and GdCu intermetallic compounds using perturbed angular correlation gamma-gamma spectroscopy

    International Nuclear Information System (INIS)

    Santos, Brianna Bosch dos

    2010-01-01

    This work presents, from a microscopic point of view, a systematic study of the local magnetism in RZn (R = Ce, Gd, Tb, Dy) and GdCu intermetallic compounds through measurements of hyperfine interactions using the Perturbed Angular Correlation Gamma- Gamma Spectroscopy technique with 111 In → 111 Cd and 140 La → 140 Ce as probe nuclei. As the magnetism in these compounds originates from the 4f electrons of the rare-earth elements it is interesting to observe in a systematic study of RZn compounds the behavior of the magnetic hyperfine field with the variation of the number of 4f electrons in the R element. The use of probe nuclei 140 La → 140 Ce is interesting because Ce +3 ion posses one 4f electron which may contribute to the total hyperfine field, and the results showed anomalous behavior. The results for 111 Cd probe showed that the temperature dependence of the magnetic hyperfine field follows the Brillouin function, and the magnetic hyperfine field decreases linearly with increase of the atomic number of rare earth when plotted as a function of the rare-earth J spin projection, showing that the main contribution to the magnetic hyperfine field in RZn compounds comes from the polarization of the conduction electrons. The results for the electric field gradient measured with 111 Cd for all compounds showed a strong decrease with the atomic number of the rare-earth element. We have therefore assumed that the major contribution to the electric field gradient originates from the 4f electrons of the rare-earths. The measurements of the electric field gradient for GdCu with 111 Cd, after temperature decreases and increases again showed that two different structures, CsCl-type cubic and FeB-type orthorhombic structures co-exist. Finally, it is the first time that measurements of hyperfine parameters have been carried out with theses two probe nuclei in the studied RZn. (author)

  11. Pair copula constructions to determine the dependence structure of Treasury bond yields

    Directory of Open Access Journals (Sweden)

    Marcelo Brutti Righi

    2015-12-01

    Full Text Available We estimated the dependence structure of US Treasury bonds through a pair copula construction. As a result, we verified that the variability of the yields decreases with a longer time of maturity of the bond. The yields presented strong dependence with past values, strongly positive bivariate associations between the daily variations, and prevalence of the Student's t copula in the relationships between the bonds. Furthermore, in tail associations, we identified relevant values in most of the relationships, which highlights the importance of risk management in the context of bonds diversification.

  12. Long Range Order and Spin-Fluctuations in Strongly Correlated Electron System with Valence Instability

    Science.gov (United States)

    Alekseev, P. A.; Menushenkov, A. P.; Mignot, J.-M.; Nemkovski, K. S.; Yaroslavtsev, A. A.; Kozlenko, D. P.

    Rare-earth based strongly correlated electron systems (SCES) exhibit a large variety of different ground states, ranging from the simple paramagnetism of crystal-field-split f-electron multiplets to highly unconventional Kondo-insulator states with a combination of charge gap, spin gap and valence instability, in which long-range magnetic order can eventually arise from an initially singlet state. The physical background for these properties of the electron subsystem may be clarified by performing detailed neutron scattering experiments, namely magnetic neutron scattering spectroscopy and diffraction. This report reviews the results of the previous and new experimental studies on a number of rare-earth intermetallic compounds, which shed light on peculiar features of those unusual ground states.

  13. DOE-EPSCoR. Exchange interactions in epitaxial intermetallic layered systems

    Energy Technology Data Exchange (ETDEWEB)

    LeClair, Patrick R. [Univ. of Alabama, Tuscaloosa, AL (United States); Gary, Mankey J. [Univ. of Alabama, Tuscaloosa, AL (United States)

    2015-05-25

    The goal of this research is to develop a fundamental understanding of the exchange interactions in epitaxial intermetallic alloy thin films and multilayers, including films and multilayers of Fe-Pt, Co-Pt and Fe-P-Rh alloys deposited on MgO and Al2O3 substrates. Our prior results have revealed that these materials have a rich variety of ferromagnetic, paramagnetic and antiferromagnetic phases which are sensitive functions of composition, substrate symmetry and layer thickness. Epitaxial antiferromagnetic films of FePt alloys exhibit a different phase diagram than bulk alloys. The antiferromagnetism of these materials has both spin ordering transitions and spin orienting transitions. The objectives include the study of exchange-inversion materials and the interface of these materials with ferromagnets. Our aim is to formulate a complete understanding of the magnetic ordering in these materials, as well as developing an understanding of how the spin structure is modified through contact with a ferromagnetic material at the interface. The ultimate goal is to develop the ability to tune the phase diagram of the materials to produce layered structures with tunable magnetic properties. The alloy systems that we will study have a degree of complexity and richness of magnetic phases that requires the use of the advanced tools offered by the DOE-operated national laboratory facilities, such as neutron and x-ray scattering to measure spin ordering, spin orientations, and element-specific magnetic moments. We plan to contribute to DOE’s mission of producing “Materials by Design” with properties determined by alloy composition and crystal structure. We have developed the methods for fabricating and have performed neutron diffraction experiments on some of the most interesting phases, and our work will serve to answer questions raised about the element-specific magnetizations using the magnetic x-ray dichroism techniques and interface magnetism in layered structures

  14. Understanding and Improving High-Temperature Structural Properties of Metal-Silicide Intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Bruce S. Kang

    2005-10-10

    The objective of this project was to understand and improve high-temperature structural properties of metal-silicide intermetallic alloys. Through research collaboration between the research team at West Virginia University (WVU) and Dr. J.H. Schneibel at Oak Ridge National Laboratory (ORNL), molybdenum silicide alloys were developed at ORNL and evaluated at WVU through atomistic modeling analyses, thermo-mechanical tests, and metallurgical studies. In this study, molybdenum-based alloys were ductilized by dispersing MgAl2O4 or MgO spinel particles. The addition of spinel particles is hypothesized to getter impurities such as oxygen and nitrogen from the alloy matrix with the result of ductility improvement. The introduction of fine dispersions has also been postulated to improve ductility by acting as a dislocation source or reducing dislocation pile-ups at grain boundaries. The spinel particles, on the other hand, can also act as local notches or crack initiation sites, which is detrimental to the alloy mechanical properties. Optimization of material processing condition is important to develop the desirable molybdenum alloys with sufficient room-temperature ductility. Atomistic analyses were conducted to further understand the mechanism of ductility improvement of the molybdenum alloys and the results showed that trace amount of residual oxygen may be responsible for the brittle behavior of the as-cast Mo alloys. For the alloys studied, uniaxial tensile tests were conducted at different loading rates, and at room and elevated temperatures. Thermal cycling effect on the mechanical properties was also studied. Tensile tests for specimens subjected to either ten or twenty thermal cycles were conducted. For each test, a follow-up detailed fractography and microstructural analysis were carried out. The test results were correlated to the size, density, distribution of the spinel particles and processing time. Thermal expansion tests were carried out using thermo

  15. A metastable HCP intermetallic phase in Cu-Al bilayer films

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Limei

    2006-07-01

    For the present study, three kinds of layered Cu/Al films have been fabricated. The first kind of samples were multilayered Cu/Al films deposited by sputtering on (001)Si. The individual layer thicknesses were 100 nm, 200 nm and 400 nm, while the total film thickness of 800 nm was kept constant, thus leading to multilayer systems with 8, 4 and 2 layers, respectively. The second type of samples were Cu/Al bilayer films grown on (0001) sapphire by sputtering, with individual layer thicknesses of 400 nm. The third type of samples were bilayer films (100 nm Cu and 100 nm Al) deposited on (0001)sapphire by MBE at room temperature. Applying conventional transmission electron microscopy and X-ray diffraction, different epitaxial growth behaviors were found in these films. All multilayer films from the first type were polycrystalline. The second type of films show a (111) FCC texture and possess intermetallic phases at the interfaces. HRTEM investigations displayed that along [111]FCC, the atomic structure of the interlayer has an ABAB stacking sequence, which is identical with a hexagonal close-packed (HCP) structure in [0001] direction, but not with the ABCABC stacking sequence of Cu and Al in [111]FCC. The lattice parameters of the HCP structure at the interlayer were determined from a model which gave the best agreement between the experimental and simulated images. The parameters are: a=b=0.256 nm, c=0.419 nm, ?=120 , with the space group of P6m2. Furthermore, lattice distortion analysis revealed that the lattice parameters of the HCP phase are increasing from the near-Cu-side to the near-Al-side. The chemical composition of the interlayer was investigated by energy dispersive X-ray spectroscopy (EDS). EDS linescans were performed from pure Al to pure Cu layers. In order to examine the stability of this HCP phase, in-situ heating experiments were performed in the HRTEM at {proportional_to}600 C. Ex-situ heating experiments were performed at different temperatures to

  16. Reaction of intermetallic compounds of the ScT composition (T=Ag, Cu, Zn, Ni) with hydrogen

    International Nuclear Information System (INIS)

    Shilkin, S.P.; Volkova, L.S.; Tarasov, B.P.

    1995-01-01

    Reaction of intermetallic compounds of ScT composition (T=Ag, Cu, Zn, Ni), crystallized in CsCl structural type, with hydrogen at 0.2-10 MPa pressure and 293-673 K temperature is studied by chemical, x-ray phase and complex thermogravimetry analysis methods. It is shown that under such conditions hydrogen absorption by ScAg and ScCu is accompanied by the decay of their source matrices into scandium dihydride and metal silver and copper respectively. For ScZn a fine-dispersion mixture of scandium dihydride with zinc and hydride phase of a new zinc-containing intermetallic compound appears to be the finite reaction product. In case of ScNi a hydride phase of ScNiH 2.6 composition is produced, which is crystallized in a rhombic syngony with the lattice periods: a=0.5281±0.0007, b=0.7393±0.0009 and c=0.3327±0.0004 nm. 9 refs.; 2 tabs

  17. Erosion behavior of HVOF thermal sprayed NiAl intermetallic coatings with different CeO2

    International Nuclear Information System (INIS)

    Wang, Y.; Chen, W.

    2003-01-01

    The influence of CeO 2 and heat treatment on the microstructure, hardness and especially erosion behavior of HVOF thermal sprayed NiAl intermetallic coatings was studied in this investigation. Among the NiAl intermetallic coatings studied, the NiAl coating containing 8 wt.% CeO 2 has the highest erosion rate, while the coating containing 2-5 wt.%CeO 2 exhibits the lowest erosion rate. Erosion surface morphologies showed a combined ductile and brittle feature. Heat treatment at temperatures higher than 600 o C softened the coating materials, leading to an increased erosion rate. Work hardening has occurred during erosion testing, and the highest degree of work hardening occurred in the NiAl coating containing about 5 wt.% CeO 2 . The degree of work hardening of the as-sprayed coating appeared larger than that of coating being heat-treated. Due to work hardening, the erosion rate becomes less discernible at the elongated erosion time among coatings with different hardness values. (author)

  18. PtPb/PtNi Intermetallic Core/Atomic Layer Shell Octahedra for Efficient Oxygen Reduction Electrocatalysis.

    Science.gov (United States)

    Bu, Lingzheng; Shao, Qi; E, Bin; Guo, Jun; Yao, Jianlin; Huang, Xiaoqing

    2017-07-19

    Although explosive studies on pursuing high-performance Pt-based nanomaterials for fuel cell reactions have been carried out, the combined controls of surface composition, exposed facet, and interior structure of the catalyst remains a formidable challenge. We demonstrate herein a facile chemical approach to realize a new class of intermetallic Pt-Pb-Ni octahedra for the first time. Those nanostructures with unique intermetallic core, active surface composition, and the exposed facet enhance oxygen reduction electrocatalysis with the optimized PtPb 1.12 Ni 0.14 octahedra exhibiting superior specific and mass activities (5.16 mA/cm 2 and 1.92 A/mg Pt ) for oxygen reduction reaction (ORR) that are ∼20 and ∼11 times higher than the commercial Pt/C, respectively. Moreover, the PtPb 1.12 Ni 0.14 octahedra can endure at least 15 000 cycles with negligible activity decay, showing a new class of Pt-based electrocatalysts with enhanced performance for fuel cells and beyond.

  19. Determination of the enthalpy of formation of Ni-Al intermetallic compounds using differential scanning calorimetry technique

    International Nuclear Information System (INIS)

    Kubaski, Evaldo Toniolo; Capocchi, Jose Deodoro Trani; Cintho, Osvaldo Mitsuyuki

    2010-01-01

    The compositions Ni20Al80, Ni25Al75, Ni40Al60, Ni50Al50, Ni60Al40 and Ni75Al25 (at. %) were heated in a calibrated thermal analysis equipment. All runs were conducted at a heating rate of 10 deg C/min under a dynamic argon atmosphere. Each composition was heated until the completion of the corresponding exothermic reaction responsible for intermetallic compound formation, and, also heated to 1480 deg C. The products obtained were characterized using X ray diffraction in order to identify the intermetallic compounds that were synthesized. Moreover, the results were evaluated using variance analysis. As a result, enthalpies of formation of Ni 2 Al 3 and Ni 3 Al compounds were determined by means of this methodology. Experimental values were 167 kJ/mol and 93 kJ/mol for Ni 2 Al 3 and Ni 3 Al, respectively. The former is 18% lower than the value found on literature, while the latter is 6% greater. (author)

  20. Microstructural and Material Quality Effects on Rolling Contact Fatigue of Highly Elastic Intermetallic NiTi Ball Bearings

    Science.gov (United States)

    Dellacorte, Christopher; Howard, S. Adam; Thomas, Fransua; Stanford, Malcolm K.

    2017-01-01

    Rolling element bearings made from highly-elastic intermetallic materials (HIM)s, such as 60NiTi, are under development for applications that require superior corrosion and shock resistance. Compared to steel, intermetallics have been shown to have much lower rolling contact fatigue (RCF) stress capability in simplified 3-ball on rod (ASTM STP 771) fatigue tests. In the 3-ball tests, poor material quality and microstructural flaws negatively affect fatigue life but such relationships have not been established for full-scale 60NiTi bearings. In this paper, 3-ball-on-rod fatigue behavior of two quality grades of 60NiTi are compared to the fatigue life of full-scale 50mm bore ball bearings made from the same materials. 60NiTi RCF rods with material or microstructural flaws suffered from infant mortality failures at all tested stress levels while high quality 60NiTi rods exhibited no failures at lower stress levels. Similarly, tests of full-scale bearings made from flawed materials exhibited early surface fatigue and through crack type failures while bearings made from high quality material did not fail even in long-term tests. Though the full-scale bearing test data is yet preliminary, the results suggest that the simplified RCF test is a good qualitative predictor of bearing performance. These results provide guidance for materials development and to establish minimum quality levels required for successful bearing operation and life.