Search results for "Metallic"
showing 10 items of 813 documents
Investigation of mechanically activated field-activated pressure-assisted synthesis processing parameters for producing dense nanostructured FeAl
2003
The parameters of the mechanically activated field-activated pressure-assisted synthesis (MAFAPAS) process, which were recently developed and patented for producing dense nanostructured materials, were studied in the case of the B2-FeAl intermetallic. Based on x-ray diffraction (XRD) experiments, residual stresses XRD analysis, relative density measurement, and secondary-electron microscopic observations, the optimal synthesis conditions (time, current intensity, and pressure) were studied. Fe + Al powders were comilled in a specially designed planetary mill to obtain a mixture of reactants at the nanoscale without the formation of any product. The milled mixtures were then subjected to a h…
Ferromagnetic dinuclear mixed-valence Mn(II)/Mn(III) complexes: building blocks for the higher nuclearity complexes. structure, magnetic properties, …
2013
A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromag…
Simultaneous IR and time-resolved X-ray diffraction measurements for studying self-sustained reactions.
1998
Self-propagating high-temperature synthesis provides an attractive practical method for producing advanced materials such as ceramics, composites and intermetallics. This kind of reaction has been investigated in situ using time-resolved X-ray diffraction, with an X-ray synchrotron beam (D43 beamline, LURE, Orsay) coupled to simultaneous IR thermography to study structural transformations and thermal evolution. With short acquisition times (30 ms per pattern) it has been possible to observe several steps before obtaining compounds. Two different compound formations have been described: (i) the different steps of reaction, aluminium melting, subsequent temperature increase and fast reaction …
High proton conduction in a chiral ferromagnetic metal-organic quartz-like framework.
2011
A complex-as-ligand strategy to get a multifunctional molecular material led to a metal-organic framework with the formula (NH(4))(4)[MnCr(2)(ox)(6)]·4H(2)O. Single-crystal X-ray diffraction revealed that the anionic bimetallic coordination network adopts a chiral three-dimensional quartz-like architecture. It hosts ammonium cations and water molecules in functionalized channels. In addition to ferromagnetic ordering below T(C) = 3.0 K related to the host network, the material exhibits a very high proton conductivity of 1.1 × 10(-3) S cm(-1) at room temperature due to the guest molecules.
Density Functional Theory Investigation on the Nucleation of Homo- and Heteronuclear Metal Clusters on Defective Graphene
2016
Nucleation of homo- (Ni, Pd, Re, Pt) and heterometallic (Ni–Pd, Re–Pt) clusters on monovacancy sites of a graphene sheet has been investigated by means of periodic density functional theory calculations. It is shown that a vacant site in graphene is an effective nucleation center for both the monometallic and bimetallic clusters, whose characteristics are described in terms of structural distortions, nucleation energetics, affinities between different metal atoms, metal–carbon interactions, and ease of diffusion of metal atoms on graphene.
Ti–Ru bimetallic complexes: catalysts for ring-closing metathesis
2002
The reaction of the titanocene monophosphanes ( 1 – 4 ) with the dimer [( p -cymene)RuCl 2 ] 2 gives the heterobimetallic compounds ( p -cymene)[(η 5 -C 5 H 5 )(μ-η 5 :η 1 -C 5 H 4 (CR 2 ) n PR′ 2 )TiCl 2 ]RuCl 2 ( 5 – 8 ). The structure of 8 , determined by X-ray diffraction, is reported here. A preliminary assessment of the performance of these complexes in ring-closing metathesis (RCM) revealed an excellent Ti–Ru–allenylidene pre-catalyst 12 .
Theory of heterogeneous viscoelasticity
2015
We review a new theory of viscoelasticity of a glass-forming viscous liquid near and below the glass transition. In our model we assume that each point in the material has a specific viscosity, which varies randomly in space according to a fluctuating activation free energy. We include a Maxwellian elastic term and assume that the corresponding shear modulus fluctuates as well with the same distribution as that of the activation barriers. The model is solved in coherent-potential approximation (CPA), for which a derivation is given. The theory predicts an Arrhenius-type temperature dependence of the viscosity in the vanishing-frequency limit, independent of the distribution of the activatio…
Effects of Silver Doping on the Geometric and Electronic Structure and Optical Absorption Spectra of the Au_{25-n}Ag_{n}(SH)_{18}^{-} (n = 1, 2, 4, 6…
2012
The effect of silver doping of the Au25(SH)18– nanoparticle is studied by investigating Au25–nAgn(SH)18– (n = 1, 2, 4, 6, 8, 10, 12) systems using DFT. For n = 1, doping of the icosahedral shell of the metal core is energetically more favorable than doping of the metal–thiolate units or the center of the core. For n ≥ 2, only doping of the core surface is considered, and arrangements where the silver dopants are in close proximity tend to be slightly less favorable. However, energy differences are small, and all conformations are accessible under experimental conditions. Boltzmann-averaged excitation spectra for these systems show similar features to the undoped Au25(SH)18–. The main differ…
Cryogenic 35GHz pulse ENDOR probehead accommodating large sample sizes: Performance and applications.
2009
The construction and performance of a cryogenic 35GHz pulse electron nuclear double resonance (ENDOR) probehead for large samples is presented. The resonator is based on a rectangular TE(102) cavity in which the radio frequency (rf) B(2)-field is generated by a two turn saddle ENDOR coil crossing the resonator along the sample axis with minimal distance to the sample tube. An rf power efficiency factor is used to define the B(2)-field strength per square-root of the transmitted rf power over the frequency range 2-180MHz. The distributions of the microwave B(1)- and E(1)-field, and the rf B(2)-field are investigated by electromagnetic field calculations. All dielectrics, the sample tube, and…
Dissimilar joining of copper to stainless steel and TA6V to stainless steel by high power beams : understanding and modeling of physicochemical pheno…
2010
The present study is dedicated to the comprehension of the mechanism of materials mixing during dissimilar welding by high power beam sources. We have been interested in joining of two couples of metallic materials which present different metallurgical problems: •copper- stainless steel (miscibility gap, important difference in physical properties);•TA6V- stainless steel (oxidation on air, formation of intermetallic phases which made the joint brittle).For the first couple of materials, continuous laser Nd:YAG welding and electron beam welding have been applied. The experimental study of morphology evolution, composition, microstructure and mechanical properties has allowed establishing the…