Modeling fatigue crack growth in crystalline solids with discrete dislocation plasticity

Analyses of crack growth under cyclic loading conditions are discussed where plastic flow arises from the motion of large numbers of discrete dislocations and the fracture properties are embedded in a cohesive surface constitutive relation. The formulation is the same as used to analyse crack growth under monotonic loading conditions, differing only in the remote loading being a cyclic function of time. Fatigue, i.e. crack growth in cyclic loading at a driving force for which the crack would have arrested under monotonic loading, emerges in the simulations as a consequence of the evolution of internal stresses associated with the irreversibility of the dislocation motion. A fatigue threshold, Paris law behaviour, striations, the accelerated growth of short cracks and the scaling with material properties are outcomes of the calculations. Results for single crystals and polycrystals will be discussed.

Concentration dependence of the Er3+ visible and infrared luminescence in Y2-x Erx O3 thin films on Si

Y2-x Erx O3 thin films, with x varying between 0 and 0.72, have been successfully grown on crystalline silicon (c-Si) substrates by radio-frequency magnetron cosputtering of Y2 O 3 and Er2 O3 targets. As-deposited films are polycrystalline, showing the body-centered cubic structure of Y2 O3, and show only a slight lattice parameter contraction when x is increased, owing to the insertion of Er ions. All the films exhibit intense Er-related optical emission at room temperature both in the visible and infrared regions. By studying the optical properties for different excitation conditions and for different Er contents, all the mechanisms (i.e., cross relaxations, up-conversions, and energy transfers to impurities) responsible for the photoluminescence (PL) emission have been identified, and the existence of two different well-defined Er concentration regimes has been demonstrated. In the low concentration regime (x up to 0.05, Er-doped regime), the visible PL emission reaches its highest intensity, owing to the influence of up-conversions, thus giving the possibility of using Y2-x Er x O3 films as an up-converting layer in the rear of silicon solar cells. However, most of the excited Er ions populate the first two excited levels 4I11/2 and 4I13/2, and above a certain excitation flux a population inversion condition between the former and the latter is achieved, opening the route for the realization of amplifiers at 2.75 μm. Instead, in the high concentration regime (Er-compound regime), an increase in the nonradiative decay rates is observed, owing to the occurrence of cross relaxations or energy transfers to impurities. As a consequence, the PL emission at 1.54 μm becomes the most intense, thus determining possible applications for Y2-x Erx O 3 as an infrared emitting material. © 2009 American Institute of Physics.

Hydrogen-induced morphotropic phase transformation of single-crystalline vanadium dioxide nanobeams.

We report a morphotropic phase transformation in vanadium dioxide (VO2) nanobeams annealed in a high-pressure hydrogen gas, which leads to the stabilization of metallic phases. Structural analyses show that the annealed VO2 nanobeams are hexagonal-close-packed structures with roughened surfaces at room temperature, unlike as-grown VO2 nanobeams with the monoclinic structure and with clean surfaces. Quantitative chemical examination reveals that the hydrogen significantly reduces oxygen in the nanobeams with characteristic nonlinear reduction kinetics which depend on the annealing time. Surprisingly, the work function and the electrical resistance of the reduced nanobeams follow a similar trend to the compositional variation due mainly to the oxygen-deficiency-related defects formed at the roughened surfaces. The electronic transport characteristics indicate that the reduced nanobeams are metallic over a large range of temperatures (room temperature to 383 K). Our results demonstrate the interplay between oxygen deficiency and structural/electronic phase transitions, with implications for engineering electronic properties in vanadium oxide systems.

Elastic properties of crystalline-amorphous core-shell silicon nanowires

The pressure behavior of Raman frequencies and line widths of crystalline core-amorphous shell silicon nanowires (SiNWs) with two different core-to-shell ratio thicknesses was studied at pressures up to 8 GPa. The obtained isothermal compressibility (bulk modulus) of SiNWs with a core-to-shell ratio of about 1.8 is ∼20% higher (lower) than reported values for bulk Si. For SiNWs with smaller core-to-shell ratios, a plastic deformation of the shell was observed together with a strain relaxation. A significant increase in the full width at half-maximum of the Raman LTO-peak due to phonon decay was used to determine the critical pressure at which LTO-phonons decay into LO + TA phonons. Our results reveal that this critical pressure in strained core-shell SiNWs (∼4 GPa) is different from the reported value for bulk Si (∼7 GPa), whereas no change is observed for relaxed core-shell SiNWs. © 2013 American Chemical Society.

Liquid crystalline chromophores for photonic band-edge laser devices

We present results on laser action from liquid crystal compounds whereby one sub-unit of the molecular structure consists of the cyano-substituted chromophore, {phenylene-bis (2-cyanopropene)}, similar to the basic unit of the semiconducting polymer structure poly(cyanoterephthalylidene). These compounds were found to exhibit nematic liquid crystal phases. In addition, by virtue of the liquid crystalline properties, the compounds were found to be highly miscible in wide temperature range commercial nematogen mixtures. When optically excited at λ = 355 nm, laser emission was observed in the blue/green region of the visible spectrum (480-530 nm) and at larger concentrations by weight than is achievable using conventional laser dyes. Upon increasing the concentration of dye from 2 to 5 wt.% the threshold was found to increase from Eth = 0.42 ± 0.02 μJ/pulse (≈20 mJ/cm2) to Eth = 0.66 ± 0.03 μJ/pulse (≈34 mJ/cm2). Laser emission was also observed at concentrations of 10 wt.% but was less stable than that observed for lower concentrations of the chromophore. © 2012 Elsevier B.V. All rights reserved.

Computational analysis of liquid crystalline elastomer membranes: Changing Gaussian curvature without stretch energy

Liquid crystalline elastomers (LCEs) can undergo extremely large reversible shape changes when exposed to external stimuli, such as mechanical deformations, heating or illumination. The deformation of LCEs result from a combination of directional reorientation of the nematic director and entropic elasticity. In this paper, we study the energetics of initially flat, thin LCE membranes by stress driven reorientation of the nematic director. The energy functional used in the variational formulation includes contributions depending on the deformation gradient and the second gradient of the deformation. The deformation gradient models the in-plane stretching of the membrane. The second gradient regularises the non-convex membrane energy functional so that infinitely fine in-plane microstructures and infinitely fine out-of-plane membrane wrinkling are penalised. For a specific example, our computational results show that a non-developable surface can be generated from an initially flat sheet at cost of only energy terms resulting from the second gradients. That is, Gaussian curvature can be generated in LCE membranes without the cost of stretch energy in contrast to conventional materials. © 2013 Elsevier Ltd. All rights reserved.

The effect of cationic, non-ionic and amphiphilic surfactants on the intercalation of bentonite

Surfactant-clay interactions are key for the development of new clay applications and inorganic-organic nanocomposites. Bentonite, with montmorillonite as the principal clay mineral constituent, was modified with varying concentrations of hexadecethyltrimethylammonium chloride (HDTMA), as a reference cationic surfactant, polypropylene glycol (PPG) 1200 and 2000, as non-ionic surfactants, and lecithin and Topcithin®, as amphiphilic phospholipid surfactants, according to the cation exchange capacity (CEC). The modified bentonites were characterised by X-ray diffraction, thermogravimetric analysis (TGA), Fourier transform infrared (FTIR) spectrometry, specific surface area and pore volume. Three intercalation regions have been identified depending on the surfactant. The non-ionic surfactant caused only a crystalline expansion of bentonite interlayers, while the cationic surfactant induced an osmotic intercalation. The amphiphilic lecithin derivatives intercalated more extensively with the bentonite matrix. The TGA and the FTIR spectra showed that, at lower concentrations, the PPGs and HDTMA adopted a disordered conformation that required more energy to degrade, while at higher concentrations, the surfactants were ordered in the interlayer space of the bentonite. The lecithin derivative surfactant had a greater thermal and conformation stability. The specific surface area reduced with increasing surfactant concentrations. This study highlights the effect of surfactant type on the interlayer space of montmorillonite in the perspective of developing novel clay functions. © 2013.

Ni(Pt)-silicide contacts on CMOS devices: Impact of substrate nature and Pt concentration on the phase formation

Ni silicides used as contacts in source/drain and gate of advanced CMOS devices were analyzed by atom probe tomography (APT) at atomic scale. These measurements were performed on 45 nm nMOS after standard self-aligned silicide (salicide) process using Ni(5 at.% Pt) alloy. After the first annealing (RTA1), δ-Ni2Si was the only phase formed on gate and source/drain while, after the second annealing (RTA2), two different Ni silicides have been formed: NiSi on the gate and δ-Ni2Si on the source and drain. This difference between source/drain and gate regions in nMOS devices has been related to the Si substrate nature (poly or mono-crystalline) and to the size of the contact. In fact, NiSi seems to have difficulties to nucleate in the narrow source/drain contact on mono-crystalline Si. The results have been compared to analysis performed on 28 nm nMOS where the Pt concentration is higher (10 at.% Pt). In this case, θ-Ni2Si is the first phase to form after RTA1 and NiSi is then formed at the same time on source (or drain) and gate after RTA2. The absence of the formation of NiSi from δ-Ni 2Si/Si(1 0 0) interface compared to θ-Ni2Si/Si(1 0 0) interface could be related to the difference of the interface energies. The redistributions of As and Pt in different silicides and interfaces were measured and discussed. In particular, it has been evidenced that Pt redistributions obtained on both 45 and 28 nm MOS transistors correspond to respective Pt distributions measured on blanket wafers. © 2013 Elsevier B.V. All rights reserved.

Enlarging regions of stable running with segmented legs

In human and animal running spring-like leg behavior is found, and similar concepts have been demonstrated by various robotic systems in the past. In general, a spring-mass model provides self-stabilizing characteristics against external perturbations originated in leg-ground interactions and motor control. Although most of these systems made use of linear spring-like legs. The question addressed in this paper is the influence of leg segmentation (i.e. the use of rotational joint and two limb-segments) to the self-stability of running, as it appears to be a common design principle in nature. This paper shows that, with the leg segmentation, the system is able to perform self-stable running behavior in significantly broader ranges of running speed and control parameters (e.g. control of angle of attack at touchdown, and adjustment of spring stiffness) by exploiting a nonlinear relationship between leg force and leg compression. The concept is investigated by using a two-segment leg model and a robotic platform, which demonstrate the plausibility in the real world. ©2008 IEEE.