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  • 1
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Advanced materials research Vol. 26-28 (Oct. 2007), p. 1015-1018 
    ISSN: 1662-8985
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The quality of coatings is directly influenced by the flattening and solidification of manyindividual molten droplets in plasma spray forming, so many properties such as thermal, electrical,mechanical etc are strongly linked to the real contact between the “piled-up” splats. The research onthe transient temperature of impacting droplets and the heat transfer between droplets and substrateplays an important role in improving the quality of coatings. Because of complexity and high cost oftemperature measurement systems for molten droplet during flattening in plasma spray forming atpresent, this paper presents a new kind of simulation measurement system for transient temperature ofspray droplets when impacting on substrate based on LabVIEW, which could display the real-timechanges of the temperature by waveform graph. Finally, the experiments were carried out on Pb-Snalloy molten droplets to reveal the close connection between the impacting droplets temperaturechanges and the coatings quality, and the heat transfer between droplets and substrate was discussed
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Advanced materials research Vol. 33-37 (Mar. 2008), p. 1383-1388 
    ISSN: 1662-8985
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Welding Continuous Cooling Transformation (CCT) graph reflects the relationshipbetween microstructure, hardness of steel heat-affected zone (HAZ), weld and welding cooling ratecontinuous cooling from high temperature, and it is the basic to select welding material, determine theoptimum welding technology, relieve welding cracks and lay down standard of past heat treatment.Welding technological parameters determine welding cooling rate, and the rate determinesmicrostructure, hardness of steel HAZ and weld, therefore we can calculate microstructure accordingto known welding technological parameters and optimum parameters according to wanted propertiesbased on CCT graph. The system combines CAD and welding techniques, the welding CCT graphsare made into drawing blocks at the platform of AutoCAD, the important data of welding CCT aremade into database, they are transferred and managed by Access. Based on Active Automationtechniques using Visual Basic, AutoCAD graph base are transferred and data of welding CCT can beinquired and dynamically added to the base. The system has realized the prediction of weldingstructure and properties and optimizing welding technology
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  • 3
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Applied mechanics and materials Vol. 7-8 (Aug. 2007), p. 49-54 
    ISSN: 1662-7482
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The materials response of a laser beam welded joint from hot rolled DP600 steel plate tothe dynamic loading has been experimentally studied by instrumented Charpy impact testing. Basedon the impact force-displacement curve, Critical Crack Length, i.e. CCL and dynamic crackextension resistance curve, i.e. J-[removed info]a were determined, describing the welding joint’s crackformation toughness and the dynamic crack behavior. It is shown that the difference of crackinitiation and propagation between the HAZ and BM is not significant. In addition, the CCL ofWelding Area, i.e. WA is multiple higher than that of HAZ and BM, which is also less dependent oflow temperature. Moreover, the J-[removed info]a curve of WA consists of two segments, the initial suddenascending with linear feature and the subsequent slow rising. Furthermore, tearing module derivedfrom the slope of J-[removed info]a curve was discussed, indicating the material microstructure mechanismaffected by the thermodynamic process of laser beam welding
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  • 4
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Advanced materials research Vol. 26-28 (Oct. 2007), p. 985-988 
    ISSN: 1662-8985
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The main factors that influence the deposition efficiency and forming quality are the stateof in-flight particles, which are directly effected by process parameter during plasma spray forming.In this study, plasma spraying of ZrO2 powder was employed according to the method of orthogonalexperiments, and the relationship between spray parameters and characteristics of in-flight particles,which were monitored by an optical monitoring system of CCD camera, were investigated. Radialbasis function (RBF) neural network model had been designed to forecast the temperature andvelocity of in-flight particles, and optimized spray parameter. The comparison of the simulationswith the experimental results shows the validity of the model
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 2404-2412 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this work, we explore the applicability of a multiconfiguration version of the time-dependent Hartree approximation in photodissociation dynamics. A two-dimensional model system based on the A-band photodissociation of ICN is used. The propagation of the wave packet, which is expanded on grids, is carried out using pseudospectral methods and a predictor–corrector integrator. It is found that the quantum state resolved quantities, such as the final CN rotational distribution, require many more configurations than averaged quantities like the absorption spectrum. The calculated results from this work agree well with previous quantum calculations. © 1995 American Institute of Physics.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 1944-1954 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The vibrational predissociation of a van der Waals complex (Cl2Ne) is studied using a method based on the multiconfiguration time-dependent Hartree approximation. The three-dimensional wave function is first expanded to the time-independent Cl2 vibrational bases and the Hartree approximation is then imposed on the channel wave functions. The wave packets are propagated for a few picoseconds and five configurations are found to give convergent results. The decay lifetimes, product state distributions and the wave packet dynamics are compared with exact results and the agreement is found to be generally satisfactory. It is found that the decay depends sensitively on the quality of the initial resonance wave function and the single configuration TDH gives only a crude approximation of the dissociation dynamics. © 1995 American Institute of Physics.
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 5831-5840 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A multiconfiguration time-dependent Hartree method is applied to study the photodissociation dynamics of methyl iodide on a MgO surface. The surface is assumed to be rigid and the dissociation is restricted in orientations parallel to the surface normal. Two active mathematical dimensions and two electronic states are included in our model. The dynamics of the fragments (the methyl radical and iodine atom) are complicated by the so-called "chattering effect'' and by nonadiabatic transitions between the two dissociative states of CH3I. It is shown from the comparison with exact calculations that the single configuration time-dependent Hartree approximation fails to give an accurate description of the dynamics. The failure of the Hartree approximation, which is due to the neglect of direct spatial correlations between modes, can be effectively corrected by including a few additional configurations. Our results show that four configurations are sufficient to provide an accurate description of the complex dissociation dynamics of the CH3I/MgO system.
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 1231-1241 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Photodissociation dynamics of HBr adsorbed on a LiF(001) surface are investigated using both exact and time-dependent Hartree (TDH) methods on realistic potential energy surfaces. The dissociation dynamics are restricted in two dimensions and two coupled dissociative states of the adsorbate are included. The wave packets are propagated on numerical grids, and fast Fourier transform (FFT) and discrete variable representation (DVR) are used to calculate the action of the Hamiltonian. In the TDH treatment, each excited electronic state is represented by a single nuclear configuration. Final radial, angular, and momentum distributions of the H fragment are calculated. Comparisons between the exact and TDH results reveal that the agreement between the two is generally reasonable and is better for highly averaged quantities. Results also show that nonadiabatic transition dynamics are correctly reproduced by the TDH approximation. Finally, the calculated results are found consistent with the experimental observations.
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 7051-7063 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Numerical tests are presented for a method that combines the time-dependent self-consistent-field (TDSCF) method with the reaction path Hamiltonian (RPH) derived by Miller, Handy, and Adams [J. Chem. Phys. 72, 99 (1980)]. The theoretical basis for this TDSCF-RPH method was presented in a previous paper. The equations of motion were derived for three different cases: (1) zero coupling matrix (i.e., zero reaction path curvature and zero coupling between the normal modes); (2) zero reaction path curvature and nonzero coupling between the normal modes; and (3) zero coupling between the normal modes and nonzero but small reaction path curvature. For these three cases the dynamics can always be reduced to a one-dimensional numerical time propagation of the reaction coordinate. In this paper the TDSCF-RPH methodology for all three cases is tested by comparing the TDSCF-RPH dynamics to exact quantum dynamics based on the exact Hamiltonian for simple model systems. The remarkable agreement indicates that the TDSCF-RPH method could be useful for the calculation of the real-time quantum dynamics of a wide range of chemical reactions involving polyatomic molecules. © 1998 American Institute of Physics.
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 8933-8939 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The extension of the surface hopping method "molecular dynamics with quantum transitions" (MDQT) to double proton transfer and proton-coupled electron transfer reactions is tested by comparison to fully quantum dynamical calculations for simple model systems. These model systems each include four potential energy surfaces and three or four avoided curve crossings. The agreement between the MDQT and fully quantum dynamical calculations provides validation for the application of MDQT to these biologically important processes. © 1997 American Institute of Physics.
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