228 resultados para vanadium, nickel, chlorine, sulfur


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Internal friction of nanocrystalline nickel is investigated by mechanical spectroscopy from 360 K to 120 K. Two relaxation peaks are found when nanocrystalline nickel is bent up to 10% strain at room temperature and fast cooling. However, these two peaks disappear when the sample is annealed at room temperature in vacuum for ten days. The occurrence and disappearance of the two relaxation peaks can be explained by the interactions of partial dislocations and point defects in nanocrystalline materials.

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Experiments of laser welding cast nickel-based superalloy K418 were conducted. Microstructure of the welded seam was characterized by optical microscopy (OM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy dispersive spectrometer (EDS). Mechanical properties of the welded seam were evaluated by microhardness. The corresponding mechanisms were discussed in detail. Results show that the laser welded seam have non-equilibrium solidified microstructures consisting of Cr-Ni-Fe-C austenite solid solution dendrites as the dominant and some fine and dispersed Ni-3(Al,Ti) gamma' phase as well as little amount of MC needle carbides and particles enriched in Nb, Ti and Mo distributed in the interdendritic regions, cracks originated from the liquation of the low melting points eutectics in the HAZ grain boundary are observed, the average microhardness of the welded seam and HAZ is higher than that of the base metal due to alloy elements' redistribution of the strengthening phase gamma'. (C) 2008 Elsevier B.V. All rights reserved.

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Based on detailed x-ray diffraction and transmission electron microscopy we have found body-centered-cubic (bcc) Ni upon room-temperature rolling of nanocrystalline (nc) face-centered-cubic (fcc) Ni. The bcc phase forms via the Kurdjumov-Sachs (KS) martensitic transformation mechanism when the von Mises equivalent strain exceeds similar to 0.3, much higher than accessible in tensile testing. The fcc and bcc phases keep either the KS or the Nishiyama-Wasserman orientation relationship. Our results provide insights into the deformation physics in nc Ni, namely, the fcc-to-bcc phase transformation can also accommodate plasticity at large plastic strains. (C) 2008 American Institute of Physics.

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We present the analysis of uniaxial deformation of nickel nanowires using molecular dynamics simulations, and address the strain rate effects on mechanical responses and deformation behavior. The applied strain rate is ranging from 1 x 10(8) s(-1) to 1.4 x 10(11) s(-1). The results show that two critical strain rates, i.e., 5 x 10(9) s(-1) and 8 x 10(10) s(-1), are observed to play a pivotal role in switching between plastic deformation modes. At strain rate below 5 x 10(9) s(-1), Ni nanowire maintains its crystalline structure with neck occurring at the end of loading, and the plastic deformation is characterized by {111} slippages associated with Shockley partial dislocations and rearrangements of atoms close to necking region. At strain rate above 8x10(10) s(-1), Ni nanowire transforms from a fcc crystal into a completely amorphous state once beyond the yield point, and hereafter it deforms uniformly without obvious necking until the end of simulation. For strain rate between 5 x 10(9) s(-1) and 8 x 10(10) s(-1), only part of the nanowire exhibits amorphous state after yielding while the other part remains crystalline state. Both the {111} slippages in ordered region and homogenous deformation in amorphous region contribute to the plastic deformation. (C) 2007 Published by Elsevier B.V.

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The melting process of nickel nanowires are simulated by using molecular dynamics with the quantum Sutten-Chen many-body force field. The wires studied were approximately cylindrical in cross-section and periodic boundary conditions were applied along their length; the atoms were arranged initially in a face-centred cubic structure with the [0 0 1] direction parallel to the long axis of the wire. The size effects of the nanowires on the melting temperatures are investigated. We find that for the nanoscale regime, the melting temperatures of Ni nanowires are much lower than that of the bulk and are linear with the reciprocal of the diameter of the nanowire. When a nanowire is heated up above the melting temperature, the neck of the nanowire begins to arise and the diameter of neck decreases rapidly with the equilibrated running time. Finally, the breaking of nanowire arises, which leads to the formation of the spherical clusters. (C) 2004 Elsevier B.V. All rights reserved.

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We report large scale molecular dynamics simulations of dynamic cyclic uniaxial tensile deformation of pure, fully dense nanocrystalline Ni, to reveal the crack initiation, and consequently intergranular fracture is the result of coalescence of nanovoids by breaking atomic bonds at grain boundaries and triple junctions. The results indicate that the brittle fracture behavior accounts for the transition from plastic deformation governed by dislocation to one that is grain-boundary dominant when the grain size reduces to the nanoscale. The grain-boundary mediated plasticity is also manifested by the new grain formation and growth induced by stress-assisted grain-boundary diffusion observed in this work. This work illustrates that grain-boundary decohesion is one of the fundamental deformation mechanisms in nanocrystalline Ni.

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The optoacoustic signal generated by pulsed 10.6 c infrared radiation incident upon a test cell filled with gaseous SF6 has been analyzed in detail. The effects ofm icroscopic energy transfer from the absorbing vibrational degrees of freedom, spontaneous emission, thermal conduction, and acoustic wave propagation are included. This complete treatment explains the experimental observations including a negative pressure response following irradiation at low gas pressure.

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The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treated as QM part calculated by "GAMESS", and the rest atoms are treated as MM part calculated by "TINKER". The integrated molecular orbital/molecular mechanics (IMOMM) method is used to deal with the QM part with the transitional metal. By using the QM/MM method, we optimize the structure of the synthetic peptide chelating with a Ni ion. Different chelate structures are considered. The geometry parameters of the QM subsystem we obtained by QM/MM calculation are consistent with the available experimental results. We also perform a classical molecular dynamics (MD) simulation with the experimental parameters for the synthetic peptide adsorption on a neutral Ni(100) surface. We find that half of the His-tags are almost parallel with the substrate, which enhance the binding strength. Peeling of the peptide from the Ni substrate is simulated in the aqueous solvent and in vacuum, respectively. The critical peeling forces in the two environments are obtained. The results show that the in-tidazole rings are attached to the substrate more tightly than other bases in this peptide.

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The mechanism of fatigue crack nucleation for nanocrystalline (nc) nickel was experimentally investigated in this paper. The samples of electrodeposited ne nickel were loaded cyclically by using a three point bending instrument at first. Then, atomic force microscopy (AFM) was used to scanning the sample surface after fatigue testing. The results indicated that, after fatigue testing, there are vortex-like cells with an average size of 108nm appeared along the crack on nc nickel sample. And, the roughness of sample surface increased with the maximum stress at the surface.

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A high-resolution electron microscopy study has uncovered the plastic behavior of accommodating large strains in nanocrystalline (NC) Ni subject to cold rolling at liquid nitrogen temperature. The activation of grain-boundary-mediated-plasticity is evidenced in NC-Ni, including twinning and formation of stacking fault via partial dislocation slips from the grain boundary. The formation and storage of 60A degrees full dislocations are observed inside NC-grains. The grain/twin boundaries act as the barriers of dislocation slips, leading to dislocation pile-up, severe lattice distortion, and formation of sub-grain boundary. The vicinity of grain/twin boundary is where defects preferentially accumulate and likely the favorable place for onset of plastic deformation. The present results indicate the heterogeneous and multiple natures of accommodating plastic strains in NC-grains.

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The cyclic deformation behavior Of ultrafine-grained (UFG) Ni samples synthesized by the electrodeposition method was studied. Different from those made by severely plastic deformation, the UFG samples used in this study are characterized by large-angle grain boundaries. Behaviors from nanocrystalline Ni and coarse-grained Ni samples were compared with that Of Ultrafine-grained Ni. With in situ neutron diffraction. unusual evolutions of residual lattice strains as well as cyclic hardening and softening behavior were demonstrated during the cyclic deformation. The microstructural changes investigated by TEM are discussed with respect to the unusual lattice strain and cyclic hardening/softening. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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Mechanical spectroscopy measurement is performed to study the internal friction of nanocrystalline ( NC) nickel with an average grain size of 23 nm from room temperature to 610 K. An internal friction peak is observed at about 550 K, which corresponds to the Curie transition process of the NC nickel according to the result of magnetization test. Moreover, the fact that the Curie temperature of NC nickel is lower than that of coarse-grained nickel is explained by an analytical model based on the weakening of cohesive energy.

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Low strain hardening has hitherto been considered an intrinsic behavior for most nanocrystalline (NC) metals, due to their perceived inability to accumulate dislocations. In this Letter, we show strong strain hardening in NC nickel with a grain size of 20 nm under large plastic strains. Contrary to common belief, we have observed significant dislocation accumulation in the grain interior. This is enabled primarily by Lomer-Cottrell locks, which pin the lock-forming dislocations and obstruct islocation. motion. These observations may help with developing strong and ductile NC metals and alloys.

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Deformation twinning has been observed in room-temperature rolled nanocrystalline Ni. The growth of the deformation twins via the emission of partial dislocations from a grain boundary has been examined in detail. Partial dislocations on neighboring slip planes may migrate for different distances and then remain in the grain interior, leading to the formation of a steplike twin boundary TB . With continued twin growth, the TBs become gradually distorted and lose their coherent character due to accumulated high stresses. Moreover, we propose that microtwins may form near such TBs due to the emission of partial dislocations from the TB.

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The influence of HCl on CO and NO emissions was experimentally investigated in an entrained flow reactor (EFR) and an internally circulating fluidized bed (ICFB). The results in EFR show the addition of HCl inhibits CO oxidation and NO formation at 1073 K and 1123 K. At the lower temperature (1073 K) the inhibition of HCl becomes more obvious. In ICFB, chlorine-containing plastic (PVC) was added to increase the concentration of HCl during the combustion of coal or coke. Results show that HCl is likely to enhance the reduction of NO and N2O. HCl greatly increases CO and CH4 emission in the flue gas. A detailed mechanism of CO/NO/HCl/SO2 system was used to model the effect of HCl in combustion. The results indicate that HCl not only promotes the recombination of radicals O, H, and OH, but also accelerates the chemical equilibration of radicals. The influence of HCl on the radicals mainly occurs at 800-1200 K. (C) 2009 Elsevier Ltd. All rights reserved.