Extracting nanobelt mechanical properties from nanoindentation

A three-spring-in-series model is proposed for the nanobelt (NB) indentation test. Compared with the previous two-spring-in-series model, which considers the bending stiffness of atomic force microscope cantilever and the indenter/NB contact stiffness, this model adds a third spring of the NB/substrate contact stiffness. NB is highly flexural due to its large aspect ratio of length to thickness. The bending and lift-off of NB form a localized contact with substrate, which makes the Oliver-Pharr method [W. C. Oliver and G. M. Pharr, J. Mater. Res. 7, 1564 (1992)] and Sneddon method [I. N. Sneddon, Int. J. Eng. Sci. 3, 47 (1965)] inappropriate for NB indentation test. Because the NB/substrate deformation may have significant impact on the force-indentation depth data obtained in experiment, the two-spring-in-series model can lead to erroneous predictions on the NB mechanical properties. NB in indentation test can be susceptible to the adhesion influence because of its large surface area to volume ratio. NB/substrate contact and adhesion can have direct and significant impact on the interpretation of experimental data. Through the three-spring-in-series model, the influence of NB/substrate contact and adhesion is analyzed and methods of reducing such influence are also suggested. (C) 2010 American Institute of Physics. [doi:10.1063/1.3432748]

Mechanical Behavior of Nanometer Ni by Simulating Nanoindentation

An indentation simulation of the crystal Ni is carried out by a molecular dynamics technique (MD) to study the mechanical behavior at nanometer scales. Indenter tips with both sphere shape and conical shape with 60 cone angle are used, and simulation samples with different crystal orientations are adopted. Some defects such as dislocations and point defects are observed. It is found that nucleated defects (dislocations, amorphous atoms) are from the local region near the pin tip or the sample surface. The temperature distribution of the local region is analyzed and it can explain our MD simulation results.

Extracting the Mechanical Properties of 1D Nanostructures from Nanoindentation

<正>The so-called one dimensional(1D) nanostructures or wirelike nanoentities,such as nanowire(NW),nanotube(NT),and nanobelt(NB) have attracted much interest in scientific community because of their remarkable mechanical,electrical,thermal properties and potential applications in wide variety of devices.The mechanical failure of 1D nanostructures can lead to the malfunction or even failure of entire device and 1D nanostructures may also have size-dependent properties. Therefore,an accurate measurement of their mechanical properties is of

Mechanical Behavior of Nanometer Ni by MD Simulation

The indention simulation of the crystal Ni is carried out by molecular dynamics technique (MD) to study the mechanical behavior at nanometer scales, the indenter tips with sphere shape is used. Some defects such as dislocations, point defects are observed. It is found that defects (dislocations, amorphous) nucleated is from local region near the pin tip or the sample surface. The temperature distribution of local region is analyzed and it can explain our MD simulation result.

Fracture behavior of a Zr-metallic glass under dynamic compression

Dynamic planar compressive experiments on a typical tough Zr-BMG (Bulk Metallic Glass) were carried out under impact velocity of 500-600 m/sec and strain rate of 10(6)/s. The fracture surface of samples exhibits different fracture patterns at different parts of the sample. At a corner close to the front loading boundary, fracture patterns from the free edge toward the centre changed from equiaxial veins in microscale to periodic corrugations in nanoscale; in the middle of the sample, the fracture surface contains glazed zones laid out orderly along the same boundary. FEM simulation was performed to investigate the stress distributions in the impacted sample under a short duration impact loading. It has revealed that the fracture patterns changing from the free edge toward the centre were resulted from the fracture modes' changing from the tensile dominant fracture to the shear dominant fracture. Whereas at the middle part of the sample, fracture initiated from several parallel shear bands propagating close to the same boundary is due to a large strain or much higher shear stress in this area.

Numerical simulation of thermal loading produced by shaped high power laser onto engine parts

Recently a new method for simulating the thermal loading on pistons of diesel engines was reported. The spatially shaped high power laser is employed as the heat source, and some preliminary experimental and numerical work was carried out. In this paper, a further effort was made to extend this simulation method to some other important engine parts such as cylinder heads. The incident Gaussian beam was transformed into concentric multi-circular patterns of specific intensity distributions, with the aid of diffractive optical elements (DOEs). By incorporating the appropriate repetitive laser pulses, the designed transient temperature fields and thermal loadings in the engine parts could be simulated. Thermal-structural numerical models for pistons and cylinder heads were built to predict the transient temperature and thermal stress. The models were also employed to find the optimal intensity distributions of the transformed laser beam that could produce the target transient temperature fields. Comparison of experimental and numerical results demonstrated that this systematic approach is effective in simulating the thermal loading on the engine parts. (C) 2009 Elsevier Ltd. All rights reserved.

Quantum-mechanical calculations of vibrationally resolved cross sections for non-dissociative charge transfer of O3+ with H-2

Charge transfer due to collisions of ground state O3+ (2s(2)2p P-2) ions with molecular hydrogen is investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method, and electronic and vibrational state-selective cross sections along with the corresponding differential cross sections are calculated for projectile energies of 100, 500, 1000 and 5000 eV/u at the orientation angles of 25 degrees,45 degrees and 89 degrees. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations were obtained with the spin-coupled valence-bond approach. The infinite order sudden approximation (IOSA) and the vibrational sudden approximation (VSA) are utilized to deal with the rotation of H-2 and the coupling between the electron and the vibration of H-2. It is found that the distribution of vibrationally resolved cross sections with the vibrational quantum number upsilon' of H-2(+) (upsilon') varies with the increment of the projectile energy; and the electronic and vibrational stateselective differential cross sections show similar behaviors: there is a highest platform within a very small scattering angle, beyond which the differential cross sections decrease as the scattering angle increases and lots of oscillating structures appear, where the scattering angle of the first structure decreases as E-P(-1/2) with the increment of the projectile energy E-P; and the structure and amplitude of the differential cross sections are sensitive to the orientation of molecule H-2, which provides a possibility to identify the orientations of molecule H-2 by the vibrational state-selective differential scattering processes.

New parameters of many-body potentials: studying the thermal and mechanical properties of noble metals

New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.

Accurate quantum mechanical calculation for the N+OH reaction

Accurate three-dimensional time-dependent quantum wave packet calculations for the N+OH reaction on the (3)A' potential energy surface [Guadagnini, Schatz, and Walch, J. Chem. Phys. 102, 774 (1995)] have been carried out. The calculations show for the first time that the initial state-selected reaction probabilities are dominated by resonance structures, and the lifetime of the resonance is generally in the subpicosecond time scale. The calculated reaction cross sections indicate that they are a decreasing function of the translational energy, which is in agreement qualitatively with the quasiclassical trajectory calculations. The rate constants obtained from the quantum mechanical calculations are consistent with the quasiclassical trajectory results and the experimental measurements. (C) 2003 American Institute of Physics.

Effects of the transition dipole moment function on the dynamics of ozone photodissociation: an exact 3D quantum mechanical study

The effects of the transition dipole moment function (TDMF) on the dynamics Of O-3 photodissociation in the Hartley band have been exploited by means of exact 3D time-dependent wavepacket method using the SW potential energy surface [J. Chem. Phys. 78 (1983) 7191]. The calculations show that the explicit inclusion of the TDMF results in slight uniform reductions for the intensities of recurrence peaks of the autocorrelation function and a slight broadening of the absorption spectrum, in comparison with the result where the TDMF is assumed to be constant. The pattern of recurrence structures of the autocorrelation function is essentially unaffected. (C) 2001 Elsevier Science B.V. All rights reserved.

Investigation on the microstructure and mechanical properties of a cast Mg–6Zn–5Al–4RE alloy

Mg-6Zn-5Al-4RE (RE = Mischmetal, mass%) alloy was prepared by metal mould casting method. The microstructure and mechanical properties of the as-cast and heat-treated alloys were investigated