An analysis on overall crack-number-density of short-fatigue-cracks

The evolution of dispersed short-fatigue-cracks is analysed based on the equilibrium of crack-number-density (CND). By separating the mean value and the stochastic fluctuation of local CND, the equilibrium equation of overall CND is derived. Comparing with the mean-field equilibrium equation, the equilibrium equation of overall CND has different forms in the expression of crack-nucleation-rate or crack-growth-rate. The simulation results are compared with experimental measurements showing the stochastic analyses provide consistent tendency with experiments. The discrepancy in simulation results between overall CND and mean-field CND is discussed.

(Ti,Al)N Film On Normalized T8 Carbon Tool Steel Prepared By Pulsed High Energy Density Plasma Technique

Under optimized operating parameters, a hard and wear resistant ( Ti,Al)N film is prepared on a normalized T8 carbon tool steel substrate by using pulsed high energy density plasma technique. Microstructure and composition of the film are analysed by x-ray diffraction, x-ray photoelectron spectroscopy, Auger electron spectroscopy and scanning electron microscopy. Hardness profile and tribological properties of the film are tested with nano-indenter and ring-on-ring wear tester, respectively. The tested results show that the microstructure of the film is dense and uniform and is mainly composed of ( Ti,Al)N and AlN hard phases. A wide transition interface exists between the film and the normalized T8 carbon tool steel substrate. Thickness of the film is about 1000 nm and mean hardness value of the film is about 26GPa. Under dry sliding wear test conditions, relative wear resistance of the ( Ti,Al)N film is approximately 9 times higher than that of the hardened T8 carbon tool steel reference sample. Meanwhile, the ( Ti,Al)N film has low and stable friction coefficient compared with the hardened T8 carbon tool steel reference sample.

Experimental and theoretical study on numerical density evolution of short fatigue cracks

Fatigue testing was performed using a kind of triangular shaped specimen to obtain the characteristics of numerical density evolution for short cracks at the primary stage of fatigue damage. The material concerned is a structural alloy steel. The experimental results show that the numerical density of short cracks reaches the maximum value when crack length is slightly less than the average grain diameter, indicating grain boundary is the main barrier for short crack extension. Based on the experimental observations and related theory, the expressions for growth velocity and nucleation rate of short cracks have been proposed. With the solution to phase space conservation equation, the theoretical results of numerical density evolution for short cracks were obtained, which were in agreement with our experimental measurements.

Influence of suspended particles and particle cover over the density interface

The effect of the particle cover over the density interface between two layers of fluids and of the suspended solid particles in the upper turbulcnt layer on the turbulent entrainment has been studied experimentally. The entrainment distance D is a function of the time of power: D=kt, where =0.200-0.130p. For suspended particles in the upper layer and pure 2-layer fluid is equal to 0.200, but the value of k for the suspended particles is smaller than that for the pure 2-layer fluid. The non-dimensional entrainment velocity is E=KRiln, where n=1.50+0.93 p. It is shown that the particle cover over the interface changes the power of Ril in the entrainment and hinders the turbulent entrainment. The variation rule of E for the suspended particles is the same as that for the pure 2-layer fluid, but the K value of the former is smaller than that of the latter. The turbulent mixing mechanism has been discussed.

Simultaneous measurement of temperature, density and velocity in gas-flows by modulated photoluminescence

A novel possibility to determine the temperature, density and velocity simultaneously in gas flows by measuring the average value, amplitude of modulation and phase shift of the photoluminescence excited by a temporally or spatially modulated light source is investigated. Time-dependent equations taking the flow, diffusion, excitation and decay into account are solved analytically. Different experimental arrangements are proposed. Measurements of velocity with two components, and temporal and spatial resolutions in the measurements are investigated. Numerical examples are given for N z with biacetyl as the seed gas. Practical considerations for the measurements and the relation between this method and some existing methods of lifetime measurement are discussed.

Correcting the systematic error of the density functional theory calculation: the alternate combination approach of genetic algorithm and neural network

The alternate combinational approach of genetic algorithm and neural network (AGANN) has been presented to correct the systematic error of the density functional theory (DFT) calculation. It treats the DFT as a black box and models the error through external statistical information. As a demonstration, the AGANN method has been applied in the correction of the lattice energies from the DFT calculation for 72 metal halides and hydrides. Through the AGANN correction, the mean absolute value of the relative errors of the calculated lattice energies to the experimental values decreases from 4.93% to 1.20% in the testing set. For comparison, the neural network approach reduces the mean value to 2.56%. And for the common combinational approach of genetic algorithm and neural network, the value drops to 2.15%. The multiple linear regression method almost has no correction effect here.

Spin dynamics of electrons in the first excited subband of a high-mobility low-density two-dimensional electron system

We report on time-resolved Kerr rotation measurements of spin coherence of electrons in the first excited subband of a high-mobility low-density two-dimensional electron system in a GaAs/Al0.35Ga0.65As heterostructure. While the transverse spin lifetime (T-2(*)) of electrons decreases monotonically with increasing magnetic field, it has a nonmonotonic dependence on the temperature and reaches a peak value of 596 ps at 36 K, indicating the effect of intersubband electron-electron scattering on the electron-spin relaxation.

Extremely low density InAs quantum dots realized in situ on (100) GaAs

Extremely low density self-assembled InAs quantum dots are grown by a combination technique of in situ annealing for 2 min and pause of substrate rotation during molecular beam epitaxy. The surface morphology and structural characteristics of the quantum dots are scrutinized by atomic force microscopy and photoluminescence spectra. It is found that the quantum dot size and density increase as the InAs deposition amount rises. Quantum dots with a density between 2.5 x 10(7) cm(-2) and 2.2 x 10(8) cm(-2) are 2-5 nm in height and 18-39 nm in diameter. It is believed that as-grown InAs nanodots may be of important value for future single quantum dot research.

Low threading-dislocation-density Ge film on Si grown on a pitting Ge buffer layer

A Ge layer with a pitting surface can be obtained when the growth temperature is lowered to 290 degrees C. On the low temperature Ge buffer layer with pits, high quality Ge layer was grown at 600 degrees C with a threading dislocation density of similar to 1x10(5)cm(-2). According to channeling and random Rutherford backscattering spectrometry spectra, a chi(min) value of 10% and 3.9% was found, respectively, at the Ge/Si interface and immediately under the surface peak. The root-mean-square surface roughness of Ge film was 0.33nm.

A density function theory study on the properties and decomposition of CF3OF

The density function theory was used to calculate the potential energy surface for the decomposition of CF3OF. The geometries, vibrational frequencies and energies of all stationary points were obtained. The calculated harmonic frequencies agreed well with the experimental ones. Three decomposition channels of CF3OF were studied. The calculated reaction enthalpy (29.85 kcal/mol) of the elimination reaction CF3OF --> CF2O + F-2 was in good agreement with the experimental value (27.7 kcal/mol). The O-F bond of CF3OF is broken easily by comparing the energies, while the decomposition channel to yield the CF30 and F radicals is the main reaction path. (C) 2002 Published by Elsevier Science B.V.

Structures and elastic properties of OsN2 investigated via first-principles density functional calculations

The structure, elastic, and electronic properties of OsN2 at various space groups: cubic Fm-3m, Pa-3, and orthorhombic Pnnm were studied by first-principles calculations based on density functional theory. Our calculation indicates that the structure in orthorhombic Pnnm phase is energetically more stable compared with cubic systems. It is metallic, mechanically stable and contains diatomic N-N units with the bond distance 1.418 A. These characters are consistent with experimental facts that OsN2 is orthorhombic and metallic. The calculated bulk modulus 394 GPa is also the highest among the considered space groups, slightly larger than previous value 358 GPa. The calculated elastic anisotropic factors and directional bulk modulus showed that OsN2 possess high elastic anisotropy.

Electronic structures of 5d transition metal monoxides by density functional theory

Bond distances, vibrational frequencies, electron affinities, ionization potentials, and dissociation energies of the diatomic 5d transition metal (except La) monoxides and their positively and negatively charged ions were studied by use of density functional methods B3LYP, BLYP, B3PW91, BPW91, B3P86, BP86, MPW1PW91, PBE1PBE, and SVWN. Our calculation shows that for each individual species, the calculated properties are quite sensitive to the method used. Compared with hybrid density functional method B3PW91 (B3P86), pure density functional method BPW91 (BP86) gives longer bond distance (lower vibrational frequency) from HfO to PtO for neutral species, HfO+ to IrO+ for cationic species, and HfO- to AuO- for anionic species. While for B3LYP and BLYP, the trend was observed for cationic species from HfO+ to IrO+ and anionic species from HfO- to AuO- (except TaO-), but not for neutrals. Pure density function methods BLYP, BPW91, and BP86 give larger dissociation energy compared with hybrid density functional methods B3LYP, B3PW91, and B3P86. SVWN in most cases gives the smallest bond distance, while BLYP gives the largest value. MPW1PW91 and PBE1PBE show the same performance in predicting the spectroscopic constants.

Electronic structures of hafnium dimer and trimer by density functional theory

Equilibrium geometries, vibrational frequencies and dissociation energies of hafnium dimer and trimer were studied by density functional methods B3LYP, BLYP, B3PW91, BHLYP, BP86, B3P86, mPW1PW91 and PBE1PBE. The results indicate that singlet is the ground state both for hafnium dimer and for trimer. For hafnium dimer, the calculated bond distance is less sensitive to the methods used. Except at BHLYP level, the calculated vibrational frequency is comparable to the experimental value. For hafnium trimer, equilateral triangle with D-3h symmetry is slightly favored compared with isosceles triangle with C-2v, symmetry except at BHLYP level. This conclusion is in agreement with experiment in which the ground state of Hf-3 is fluxional and low-spin or closed shell is preferred.

Mechanical and thermal properties of high-density polyethylene toughened with glass beads

Glass beads were used to improve the mechanical and thermal properties of high-density polyethylene (HDPE). HDPE/glass-bead blends were prepared in a Brabender-like apparatus, and this was followed by press molding. Static tensile measurements showed that the modulus of the HDPE/glass-bead blends increased considerably with increasing glass-bead content, whereas the yield stress remained roughly unchanged at first and then decreased slowly with increasing glass-bead content. Izod impact tests at room temperature revealed that the impact strength changed very slowly with increasing glass-bead content up to a critical value; thereafter, it increased sharply with increasing glass-bead content. That is, the lzod impact strength of the blends underwent a sharp transition with increasing glass-bead content. It was calculated that the critical interparticle distance for the HDPE/glass-bead blends at room temperature (25degreesC) was 2.5 mum. Scanning electron microscopy observations indicated that the high impact strength of the HDPE/glass-bead blends resulted from the deformation of the HDPE matrix. Dynamic mechanical analyses and thermogravimetric measurements implied that the heat resistance and heat stability of the blends tended to increase considerably with increasing glass-bead content.

Calculations of cross sections of resonant two-photon transitions to the second excited 4f5d state in Pr3+: Y3Al5O12 using density matrix theory

The density matrix resonant two-photon absorption (TPA) theory applicable to laser crystals doped with rare earth ions is described. Using this theory, resonant TPA cross sections for transitions from the ground state to the second excited state of the 4f5d configuration in cm(4)s Pr3+:Y3Al5O12 are calculated. The peak value of TPA cross section calculated is 2.75 x 10(-50) cm(4)s which is very close to the previous experimental value 4 x 10(-50) cm(4) s. The good agreement of calculated data with measured values demonstrates that the density matrix resonant TPA theory can predict resonant TPA intensity much better than the standard second-order perturbation TPA theory.