Inverse Analysis Determining Interfacial Properties Between Metal Film And Ceramic Substrate With An Adhesive Layer

In the present study, peel tests and inverse analysis were performed to determine the interfacial mechanical parameters for the metal film/ceramic system with an epoxy interface layer between film and ceramic. Al films with a series of thicknesses between 20 and 250 mu m and three peel angles of 90 degrees, 135 degrees and 180 degrees were considered. A finite element model with the cohesive zone elements was used to simulate the peeling process. The finite element results were taken as the training data of a neural network in the inverse analysis. The interfacial cohesive energy and the separation strength can be determined based on the inverse analysis and peel experimental result.

Effects Of The Length Of A Cylindrical Solid Shield On The Entrainment Of Ambient Air Into Turbulent And Laminar Impinging Argon Plasma Jets

When materials processing is conducted in air surroundings by use of an impinging plasma jet, the ambient air will be entrained into the materials processing region, resulting in unfavorable oxidation of the feedstock metal particles injected into the plasma jet and of metallic substrate material. Using a cylindrical solid shield may avoid the air entrainment if the shield length is suitably selected and this approach has the merit that expensive vacuum chamber and its pumping system are not needed. Modeling study is thus conducted to reveal how the length of the cylindrical solid shield affects the ambient air entrainment when materials processing (spraying, remelting, hardening, etc.) is conducted by use of a turbulent or laminar argon plasma jet impinging normally upon a flat substrate in atmospheric air. It is shown that the mass flow rate of the ambient air entrained into the impinging plasma jet cannot be appreciably reduced unless the cylindrical shield is long enough. In order to completely avoid the air entrainment, the gap between the downstream-end section of the cylindrical solid shield and the substrate surface must be carefully selected, and the suitable size of the gap for the turbulent plasma jet is appreciably larger than that for the laminar one. The overheating of the solid shield or the substrate could become a problem for the turbulent case, and thus additional cooling measure may be needed when the entrainment of ambient air into the turbulent impinging plasma jet is to be completely avoided.

Quantum Monte Carlo study of the CO interaction with a dimer model surface for Cr(110)

The chemisorption of CO on a Cr( 110) surface is investigated using the quantum Monte Carlo method in the diffusion Monte Carlo (DMC) variant and a model Cr2CO cluster. The present results are consistent with the earlier ab initio HF study with this model that showed the tilted/ near-parallel orientation as energetically favoured over the perpendicular arrangement. The DMC energy difference between the two orientations is larger (1.9 eV) than that computed in the previous study. The distribution and reorganization of electrons during CO adsorption on the model surface are analysed using the topological electron localization function method that yields electron populations, charge transfer and clear insight on the chemical bonding that occurs with CO adsorption and dissociation on the model surface.

Determination of interface properties between micron-thick metal film and ceramic substrate using peel test

Peel test measurements have been performed to estimate both the interface toughness and the separation strength between copper thin film and Al2O3 substrate with film thicknesses ranging between 1 and 15 mu m. An inverse analysis based on the artificial neural network method is adopted to determine the interface parameters. The interface parameters are characterized by the cohesive zone (CZ) model. The results of finite element simulations based on the strain gradient plasticity theory are used to train the artificial neural network. Using both the trained neural network and the experimental measurements for one test result, both the interface toughness and the separation strength are determined. Finally, the finite element predictions adopting the determined interface parameters are performed for the other film thickness cases, and are in agreement with the experimental results.

Deformation mechanisms of face-centered-cubic metal nanowires with twin boundaries

This letter addresses the issue of deformation mechanisms and mechanical tensile behavior of the twinned metal nanowires using atomistic simulations. Free surfaces are always the preferential dislocation nucleation sites in the initial inelastic deformation stage, while with further plastic deformation, twin boundary interfaces will act as sources of dislocations with the assistance of the newly formed defects. The smaller the twin boundary spacing, the higher the yielding stresses of the twinned nanowires. Twin boundaries, which serve both as obstacles to dislocation motion and dislocation sources, can lead to hardening effects and contribute to the tensile ductility. This work illustrates that the mechanical properties of metal nanowires could be controlled by tailoring internal growth twin structures. (c) 2007 American Institute of Physics.

The plastic instability behaviour of laser-textured steel sheet

As the production of a new technique that can offer both good formability and high image clarity for texturing metal sheet, laser-textured sheet has attracted the attention of many manufacturers and users. Among the many subjects to be studied, plastic instability behaviour of the laser-textured sheet is one of most important to understand its ability in extending material ductility and to appropriately control this technique. Experimental investigations are carried out in this paper to study the macroscopic behaviour and microstructural mechanism of the laser-textured sheet, and comparison is made with the normal sheet taken from the same coil of metal sheet. It is demonstrated that, the difference in the behaviour of plastic instability obviously shows tendency to delay strain localization and the onset of thickness necking. Shear banding and internal void damage are spread to a much wider region in the sheet being laser-textured. The prestrained microcraters enforced on the surface of the textured sheet act as hardening spots, which are likely to share out deformation and inhibit the increasing rate of voiding, and eventually favouring the ductility of the material used.

A study of the mechanism of consolidating metal-powder under explosive-implosive shock-waves

A study of the two-dimensional flow pattern of particles in consolidation process under explosive-implosive shock waves has been performed to further understand the mechanism of shock-wave consolidation of metal powder, in which bunched low-carbon steel wires were used instead of powder. Pressure in the compact ranges from 6 to 30 GPa. Some wires were electroplated with brass, some pickled. By this means, the flow pattern at particle surfaces was observed. The interparticle bonding and microstructure have been investigated systematically for the consolidated specimens by means of optical and electron microscopy, as well as by microhardness. The experimental results presented here are qualitatively consistent with Williamson's numerical simulation result when particle arrangement is close packed, but yield more extensive information. The effect of surface condition of particle on consolidation quality was also studied in order to explore ways of increasing the strength of the compacts. Based on these experiments, a physical model for metal powder shock consolidation has been established.

Transient Temperature Distribution in a Sheet Metal by Low-Energy Laser Scanning

Low-energy laser-heating techniques are widely used in engineering applications such as, thinfilm deposition, surface treatment, metal forming and micro-structural pattern formation. In this paper,under the conditions of ignoring the thermo-mechanical coupling, a numerical simulation on the spatialand temporal temperature distribution in a sheet metal produced by the laser beam scanning in virtue of thefinite element method is presented. Both the three-dimensional transient temperature field and thetemperature evolution as a function of heat penetrating depth in the metal sheet are calculated. Thetemperature dependence of material properties was taken into account. It was shown that, after taking thetemperature dependence of the material absorbance effect into consideration, the temperature change ratealong the scanning direction and the temperature maximum were both increased.

Numerical Simulation of Pulsed Laser Transformation Hardening

A novel pulsed laser surface processing technology is introduced, which can make use of the spatial and temporal profile of laser pulse to obtain ideal hardening parameters. The intensity distribution of laser pulse is spatially and temporally controlled by using laser shape transformation technology. A 3D numerical model including multi-phase transformations is established to explore material microstructure evolution induced by temperature field evolution. The influences of laser spatial-temporal profiles on hardening parameters are investigated. Different from the continuous laser processing technology, results indicate that spatial and temporal profiles are important factors in determining processing quality during pulsed laser processing method.

QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface

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.

Microstructure Evolution of Laser Pulse processed Ductile Iron Surface

Pulsed laser beam was used to modify surface processing for ductile iron. The microstructures of processed specimen were observed using optical microscope (OM). Nanoindentation and micro-hardness of microstructures were measured from surface to inner of sample. The experimental results show that, modification zone is consisted of light melted zone, phase transformation hardening area and transient area. The light melt area is made up of coarse dendrite crystalline with a thickness less than 20um, phase transformation hardening area mainly of laminal or acicular martensite, retained austenite and graphite, i.e. M+A prime+ G. The cow-eye microstructure around graphite sphere always is formed in phase transformation hardening area zone, which consisting of a variety structure with the distance from the surface. So, it maybe as a obvious sign distinguishing modification zone border. Finally, the microstructures evolution of laser pulse processed ductile iron was analyzed coupling with beam energy distribution in space and laser pulse heating procession characteristics. The analysis shows that energy distribution of laser pulse has an important effect on microstructure during laser pulse modified ductile iron. Multi-scale and interlace arrangement are the important features for laser pulse modified ductile iron. Of microstructure.

Atomistic Simulation On Size-Dependent Yield Strength And Defects Evolution Of Metal Nanowires

A simple derivation based on continuum mechanics is given, which shows the surface stress is critical for yield strength at ultra-small scales. Molecular dynamics (MD) simulations with modified embedded atom method (MEAM) are employed to investigate the mechanical behaviors of single-crystalline metal nanowires under tensile loading. The calculated yield strengths increasing with the decrease of the cross-sectional area of the nanowires are in accordance with the theoretical prediction. Reorientation induced by stacking faults is observed at the nanowire edge. In addition. the mechanism of yielding is discussed in details based on the snapshots of defects evolution. The nanowires in different crystallographic orientations behave differently in stretching deformation. This study on the plastic properties of metal nanowires will be helpful to further understanding of the mechanical properties of nanomaterials. (C) 2009 Elsevier B.V. All rights reserved.

The organometallic chemistry of the Ru(001) surface

The organometallic chemistry of the hexagonally close-packed Ru(001) surface has been studied using electron energy loss spectroscopy and thermal desorption mass spectrometry. The molecules that have been studied are acetylene, formamide and ammonia. The chemistry of acetylene and formamide has also been investigated in the presence of coadsorbed hydrogen and oxygen adatoms.

Acetylene is adsorbed molecularly on Ru(001) below approximately 230 K, with rehybridization of the molecule to nearly sp^3 occurring. The principal decomposition products at higher temperatures are ethylidyne (CCH_3) and acetylide (CCH) between 230 and 350 K, and methylidyne (CH) and surface carbon at higher temperatures. Some methylidyne is stable to approximately 700 K. The preadsorption of hydrogen does not alter the decomposition products of acetylene, but reduces the saturation coverage and also leads to the formation of a small amount of ethylene (via an η^2-CHCH_2 species) which desorbs molecularly near 175 K. Preadsorbed oxygen also reduces the saturation coverage of acetylene but has virtually no effect on the nature of the molecularly chemisorbed acetylene. It does, however, lead to the formation of an sp^2-hybridized vinylidene (CCH_2) species in the decomposition of acetylene, in addition to the decomposition products that are formed on the clean surface. There is no molecular desorption of chemisorbed acetylene from clean Ru(001), hydrogen-presaturated Ru(001), or oxygen-presaturated Ru(001).

The adsorption and decomposition of formamide has been studied on clean Ru(001), hydrogen-presaturated Ru(001), and Ru(001)-p(1x2)-O (oxygen adatom coverage = 0.5). On clean Ru(001), the adsorption of low coverages of formamide at 80 K results in CH bond cleavage and rehybridization of the carbonyl double bond to produce an η^2 (C,O)-NH_2CO species. This species is stable to approximately 250 K at which point it decomposes to yield a mixture of coadsorbed carbon monoxide, ammonia, an NH species and hydrogen adatoms. The decomposition of NH to hydrogen and nitrogen adatoms occurs between 350 and 400 K, and the thermal desorption products are NH_3 (-315 K), H_2 (-420 K), CO (-480 K) and N_2 (-770 K). At higher formamide coverages, some formamide is adsorbed molecularly at 80 K, leading both to molecular desorption and to the formation of a new surface intermediate between 300 and 375 K that is identified tentatively as η^1(N)-NCHO. On Ru(001)- p(1x2)-O and hydrogen-presaturated Ru(001), formamide adsorbs molecularly at 80 K in an η^1(O)- NH_2CHO configuration. On the oxygen-precovered surface, the molecularly adsorbed formamide undergoes competing desorption and decomposition, resulting in the formation of an η^2(N,O)-NHCHO species (analogous to a bidentate formate) at approximately 265 K. This species decomposes near 420 K with the evolution of CO and H_2 into the gas phase. On the hydrogen precovered surface, the Η^1(O)-NH_2CHO converts below 200 K to η^2(C,O)-NH_2CHO and η^2(C,O)-NH^2CO, with some molecular desorption occurring also at high coverage. The η^2(C,O)-bonded species decompose in a manner similar to the decomposition of η^2(C,O)-NH_2CO on the clean surface, although the formation of ammonia is not detected.

Ammonia adsorbs reversibly on Ru(001) at 80 K, with negligible dissociation occurring as the surface is annealed The EEL spectra of ammonia on Ru(001) are very similar to those of ammonia on other metal surfaces. Off-specular EEL spectra of chemisorbed ammonia allow the v(Ru-NH_3) and ρ(NH_3) vibrational loss features to be resolved near 340 and 625 cm^(-1), respectively. The intense δ_g (NH_3) loss feature shifts downward in frequency with increasing ammonia coverage, from approximately 1160 cm^(-1) in the low coverage limit to 1070 cm^(-1) at saturation. In coordination compounds of ammonia, the frequency of this mode shifts downward with decreasing charge on the metal atom, and its downshift on Ru(001) can be correlated with the large work function decrease that the surface has previously been shown to undergo when ammonia is adsorbed. The EELS data are consistent with ammonia adsorption in on-top sites. Second-layer and multilayer ammonia on Ru(001) have also been characterized vibrationally, and the results are similar to those obtained for other metal surfaces.