Structures, Stabilities and Strain in C60 and C70 Derivatives Fullerenes, Nanotubes and Carbon Nanostructures

The stabilities of a number of small adducts as well as larger hydrides of C-60 and C-70 are reported using semiempirical MO methods. The data are shown to be consistent with the nature of bond alternation in the parent fullerenes and strain effects in the cage systems.

The effect of grain size on the high-strain, high-strain-rate behavior of copper

Copper with four widely differing grain sizes was subjected to high-strain-rate plastic deformation in a special experimental arrangement in which high shear strains of approximately 2 to 7 were generated. The adiabatic plastic deformation produced temperature rises in excess of 300 K, creating conditions favorable for dynamic recrystallization, with an attendant change in the mechanical response. Preshocking of the specimens to an amplitude of 50 GPa generated a high dislocation density; twinning was highly dependent on grain size, being profuse for the 117- and 315-mu m grain-size specimens and virtually absent for the 9.5-mu m grain-size specimens. This has a profound effect on the subsequent mechanical response of the specimens, with the smaller grain-size material undergoing considerably more hardening than the larger grain-size material. A rationale is proposed which leads to a prediction of the shock threshold stress for twinning as a function of grain size. The strain required for localization of plastic deformation was dependent on the combined grain size/shock-induced microstructure, with the large grain-size specimens localizing more readily. The experimental results obtained are rationalized in terms of dynamic recrystallization, and a constitutive equation is applied to the experimental results; it correctly predicts the earlier onset of localization for the large grain-size specimens. It is suggested that the grain-size dependence of shock response can significantly affect the performance of shaped charges.

The role of strain rate response in plane strain abrasion of metals

Titanium flats were scribed by silicon carbide wedges over ranges of temperatures and applied strains and with lubrication. The response of the material to scribing was noted by recording the coefficient of friction, the surface morphology of track and the subsurface deformation. Additional data were obtained from (1) uniaxial compression of titanium, (2) scribing of oxygen-free high conductivity copper and (3) scribing of aluminium under dry and lubricated conditions to analyse and explain the observed variation in response of titanium to scribing with strain, temperature and lubrication.

Evaluation of strain-rate effects in transitional round jets using direct numerical simulation

The coherent flame model uses the strain rate to predict reaction rate per unit flame surface area and some procedure that solves for the dynamics of flame surfaces to predict species distributions. The strainrate formula for the reaction rate is obtained from the analytical solution for a flame in a laminar, plane stagnation point flow. Here, the formula's effectiveness is examined by comparisons with data from a direct numerical simulation (DNS) of a round jetlike flow that undergoes transition to turbulence. Significant differences due to general flow features can be understood qualitatively: Model predictions are good in the braids between vortex rings, which are present in the near field of round jets, as the strain rate is extensional and reaction surfaces are isolated. In several other regions, the strain rate is compressive or flame surfaces are folded close together. There, the predictions are poor as the local flow no longer resembles the model flow. Quantitative comparisons showed some discrepancies. A modified, consistent application of the strain-rate solution did not show significant changes in the prediction of mean reaction rate distributions.

[n]peristylanes and [n]oxa[n]peristylanes (n = 3-6): A theoretical study

Theoretical studies at the HF and Becke3LYP levels using 6-31G* basis sets were carried out on a series of [n]peristylanes and [n]oxa[n]peristylanes (n = 3-6) to understand their structure and energetics. The structures of the [3]- and [4]peristylanes (1, 2) and their era-derivatives (5, 6) were calculated to have the anticipated high symmetry, C-nv. In contrast, a C-s structure (9) at HF/6-31G* and another (25) at the Becke3LYP/6-31G* level were calculated for the [5]oxa[5]peristylane. The energy difference between them is extremely small even though there are major differences in the structures indicating every soft potential energy surface: On the other hand, the potential energy surface of [6]oxa[6]peristylane is not as soft. Similar structures were also calculated for the top rings. Calculations on the seco-compounds 11-14 and 15-19 (Table 4) indicate that there is no unusual strain involved in the formation of 27 from 19. The Li+ interaction energies of the [n]oxa[n]peristylanes are 61.7 (n = 3), 72.8 (n = 4), 84.2 (n = 5) and 91.7 (n = 6) kcal mol(-1) at the Becke3LYP/6-3IG* level. Dramatic differences between the C-C bond lengths obtained from the solid state X-ray diffraction studies and those from the calculations for the [n]oxa[n]peristylanes were also observed.

Stress-strain Curves and Corresponding Structural Parameters in Mulberry and Non-mulberry Silk Fibers

Mulberry fiber (Bivoltine) and non-mulberry fiber (Tassar) were subjected to stress-strain studies and the corresponding samples were examined using wide angle X-ray scattering studies. Here we have two different characteristic stress-strain curves and this has been correlated with changes in crystallite shape ellipsoids in all the fibers. Exclusive crystal structure studies of Tassar fibers show interesting feature of transformation from antiparallel chains to parallel chains.

Oscillatory flow and temperature fields in an open tube with temperature difference across the ends

The oscillating flow and temperature field in an open tube subjected to cryogenic temperature at the cold end and ambient temperature at the hot end is studied numerically. The flow is driven by a time-wise sinusoidally varying pressure at the cold end. The conjugate problem takes into account the interaction of oscillatory flow with the heat conduction in the tube wall. The full set of compressible flow equations with axisymmetry assumption are solved with a pressure correction algorithm. Parametric studies are conducted with frequencies of 5-15 Hz, with one end maintained at 100 K and other end at 300 K. The flow and temperature distributions and the cooldown characteristics are obtained. The frequency and pressure amplitude have negligible effect on the time averaged Nusselt number. Pressure amplitude is an important factor determining the enthalpy flow through the solid wall. The frequency of operation has considerable effect on penetration of temperature into the tube. The density variation has strong influence on property profiles during cooldown. The present study is expected to be of interest in applications such as pulse tube refrigerators and other cryocoolers, where oscillatory flows occur in open tubes. (C) 2011 Elsevier Ltd. All rights reserved.

Difference in spin state and covalence between La1-xSrxCoO3 and La2-xSrxLi0.5Co0.5O4

We present a comparative study of the spin states and electronic properties of La1-xSrxCoO3 and La2-xSrxLi0.5Co0.5O4 using X-ray absorption near-edge structure spectroscopy at both the O-K and Co-L-2.3 thresholds. In the La2-xSrxLi0.5Co0.5O4 system the CoO6 octahedra are isolated, the holes induced by Sr doping are trapped in the isolated Co(IV)O-6 octahedra, and a low-spin state is found for the Co ions, which does not change upon Sr doping. In the La1-xSrxCoO3 system, the interconnected CoO6 octahedra, with a 180degrees Co-O-Co bond angle, give rise to a transition from low-spin to intermediate-spin state with a ferromagnetic alignment of the Co spins. The double-exchange, ferromagnetic coupling between Co ions mediated by the 180degrees bond angle is responsible for suppressing the low spin-state. We find that the branching ratio of spectral intensities at the L-2 and L-3 thresholds in the Co-L-2.3 X-ray absorption spectra is sensitive to the spin state of the Co ions allowing its direct spectroscopic determination. (C) 2002 Published by Elsevier Science B.V.

Influence of temperature and strain rate on the flow stress of an FeAl alloy

The deformation behavior of an FeAl alloy processed by hot extrusion of water atomized powder has been investigated. Compression tests are performed in the temperature range 1073–1423 K and in the strain rate range 0.001–100 s−1 up to a true plastic strain of 0.5. The flow stress has been found to be strongly dependent on temperature as well as strain rate. The stress exponent in the power law rate equation is estimated to be in the range 7.0–4.0, decreasing with temperature. The activation energy for plastic flow in the range 1073–1373 K varies from 430 kJ mol−1 at low stresses to 340 kJ mol−1 at high stresses. However, it is fairly independent of strain rate and strain. The activation area has similarly shown a stress dependence and lies in the range 160–45b2. At 1423 K and at strain rates lower than 0.1 s−1 a strain rate sensitivity of 0.3 is observed with an associated activation energy of 375 kJ mol−1. The plastic flow in the entire range of temperature and strain rate investigated appears to be controlled by a diffusion mechanism. The results have revealed that it is possible to process the alloy by superplastic forming in the range 1373–1423 K at strain rates lower than 0.1 s−1.

Effect of strain rate on tensile and compression behaviour of Al-Si/graphite composite

Effects of strain rate (10(-4)-10(-2) s(-1)) on tensile and compressive strength of the Al-Si alloy and Al-Si/graphite composite are investigated. The strain hardening exponent value of the composite was more than that of the alloy for all strain rates during tensile and compressive loading. The yield stress of the composite was more than that of the ultimate tensile strength of the alloy for all strain rates. Tensile and compressive properties of the alloy and composite are dependent on strain rates. The negative strain rate sensitivity was observed for the composite and alloy at lower strain rates during the compression and tension loading respectively. (C) 2011 Elsevier B.V. All rights reserved.

Biaxial strain induced electrical inhomogenities and phase separation in the ferromagnetic metallic phase in thin films of La0.7Ca0.3MnO3: A scanning tunneling potentiometry/spectroscopy study

We have investigated the effect of biaxial strain on local electrical/electronic properties in thin films of La0.7Ca0.3MnO3 with varying degrees of biaxial strain in them. The local electrical properties were investigated as a function of temperature by scanning tunneling spectroscopy (STS) and scanning tunneling potentiometry (STP), along with the bulk probe like conductance fluctuations.The results indicate a positive correlation between the lattice mismatch biaxial strain and the local electrical/electronic inhomogenities observed in the strained sample. This is plausible since the crystal structure of the manganites interfere rather strongly with the magnetic/electronic degrees of freedom. Thus even a small imbalance (biaxial strain) can induce significant changes in the electrical properties of the system.

The effect of T-stress on plane strain dynamic crack growth in elastic-plastic materials

In this paper, the effects of T -stress on steady, dynamic crack growth in an elastic-plastic material are examined using a modified boundary layer formulation. The analyses are carried out under mode I, plane strain conditions by employing a special finite element procedure based on moving crack tip coordinates. The material is assumed to obey the J (2) flow theory of plasticity with isotropic power law hardening. The results show that the crack opening profile as well as the opening stress at a finite distance from the tip are strongly affected by the magnitude and sign of the T -stress at any given crack speed. Further, it is found that the fracture toughness predicted by the analyses enhances significantly with negative T -stress for both ductile and cleavage mode of crack growth.

Size-dependent and strain rate effects in quantum dot nanostructures with molecular dynamic simulations

Size and strain rate effects are among several factors which play an important role in determining the response of nanostructures, such as their deformations, to the mechanical loadings. The mechanical deformations in nanostructure systems at finite temperatures are intrinsically dynamic processes. Most of the recent works in this context have been focused on nanowires [1, 2], but very little attention has been paid to such low dimensional nanostructures as quantum dots (QDs). In this contribution, molecular dynamics (MD) simulations with an embedded atom potential method(EAM) are carried out to analyse the size and strain rate effects in the silicon (Si) QDs, as an example. We consider various geometries of QDs such as spherical, cylindrical and cubic. We choose Si QDs as an example due to their major applications in solar cells and biosensing. The analysis has also been focused on the variation in the deformation mechanisms with the size and strain rate for Si QD embedded in a matrix of SiO2 [3] (other cases include SiN and SiC matrices).It is observed that the mechanical properties are the functions of the QD size, shape and strain rate as it is in the case for nanowires [2]. We also present the comparative study resulted from the application of different EAM potentials in particular, the Stillinger-Weber (SW) potential, the Tersoff potentials and the environment-dependent interatomic potential (EDIP) [1]. Finally, based on the stabilized structural properties we compute electronic bandstructures of our nanostructures using an envelope function approach and its finite element implementation.