Electronic properties of zinc-blende GaN, AlN, and their alloys Ga1-xAlxN

The electronic properties of wide-energy gap zinc-blende structure GaN, A1N, and their alloys Ga(1-x)A1(x)N are investigated using the empirical pseudopotential method. Electron and hole effective mass parameters, hydrostatic and shear deformation potential constants of the valence band at Gamma and those of the conduction band at Gamma and X are obtained for GaN and AIN, respectively. The energies of Gamma, X, L conduction valleys of Ga(1-x)A1(x)N alloy versus Al fraction x are also calculated. The information will be useful for the design of lattice mismatched heterostructure optoelectronic devices based on these materials in the blue light range application. (C) 1995 American Institute of Physics.

Numerical simulation of a bubble rising in shear-thinning fluids

The motion of a single bubble rising freely in quiescent non-Newtonian viscous fluids was investigated experimentally and computationally. The non-Newtonian effects in the flow of viscous inelastic fluids are modeled by the Carreau theological model. An improved level set approach for computing the incompressible two-phase flow with deformable free interface is used. The control volume formulation with the SIMPLEC algorithm incorporated is used to solve the governing equations on a staggered Eulerian grid. The simulation results demonstrate that the algorithm is robust for shear-thinning liquids with large density (rho(1)/rho(g) up to 10(3)) and high viscosity (eta(1)/eta(g) up to 10(4)). The comparison of the experimental measurements of terminal bubble shape and velocity with the computational results is satisfactory. It is shown that the local change in viscosity around a bubble greatly depends on the bubble shape and the zero-shear viscosity of non-Newtonian shear-thinning liquids. The shear-rate distribution and velocity fields are used to elucidate the formation of a region of large viscosity at the rear of a bubble as a result of the rather stagnant flow behind the bubble. The numerical results provide the basis for further investigations, such as the numerical simulation of viscoelastic fluids. (C) 2010 Elsevier B.V. All rights reserved.

Peeling behavior of a bio-inspired nano-film on a substrate

A peeling model is proposed to analyze the peeling properties of bio-mimetic nano-films using the finite element method (FEM) and theoretical approach. The influences of the nano-film's adhesion length, thickness, elastic modulus, roughness and peeling angle on the peeling force were considered as well as the effect of the viscoelastic behavior. It has been found that the effective adhesion length, at which the peeling force attained maximum, was much smaller than the real length of nano-films; and the shear force dominated in the case of smaller peeling angles, whereas, the normal force dominated at larger peeling angles. The total peeling force decreased with an increasing peeling angle. Two limiting values of the peeling-off force can be found in the viscoelastic model, which corresponds to the smaller and larger loading rate cases. The effects of nano-film thickness and Young's modulus on peeling behaviors were also discussed. The results obtained are helpful for understanding the micro-adhesion mechanisms of biological systems, such as geckos. (C) 2010 Elsevier Ltd. All rights reserved.

A modified criterion for shear band formation in bulk metallic glass under complex stress states

A new criterion for shear band formation in metallic glasses is proposed based on the shear plane criterion proposed by Packard and Schuh [1]. This modified shear plane (MSP) criterion suggests that a shear band is not initiated randomly throughout the entire material under stress but is initiated at the physical boundaries or defects and at locations where the highest normal stress modified maximum shear stress occurs. Moreover, the same as in the shear plan criterion, the shear stress all over the shear band should exceed the shear yield strength of the material. For a complete shear band to form, both requirements need to be fulfilled. The shear yield strength of the material is represented by the shear stress of the point at which the shear band stops. The new criterion agrees very well with experimental results in both the determination of the shear yield strength and the shear band path. (C) 2010 Elsevier B.V. All rights reserved.

Size-Dependent Adhesion Strength of a Single Viscoelastic Fiber

Nano-fibrillar adhesives can adhere strongly to surfaces as a gecko does. The size of each fiber has significant effects on the adhesion enhancement, especially on rough surfaces. In the present study, we report the size effects on the normal and shear strength of adhesion for a single viscoelastic fiber. It is found that there exists a limited region of the critical sizes under which the interfacial normal or tangential tractions uniformly attain the theoretical adhesion strength. The region for a viscoelastic fiber under tension with similar material constants to a gecko's spatula is 135-255 nm and that under torque is 26.5-52 nm. This finding is significant for the development of artificial biomimetic attachment systems.

Quasi-3D Cytoskeletal Dynamics of Osteocytes under Fluid Flow

Osteocytes respond to dynamic fluid shear loading by activating various biochemical pathways, mediating a dynamic process of bone formation and resorption. Whole-cell deformation and regional deformation of the cytoskeleton may be able to directly regulate this process. Attempts to image cellular deformation by conventional microscopy techniques have been hindered by low temporal or spatial resolution. In this study, we developed a quasi-three-dimensional microscopy technique that enabled us to simultaneously visualize an osteocyte's traditional bottom-view profile and a side-view profile at high temporal resolution. Quantitative analysis of the plasma membrane and either the intracellular actin or microtubule (MT) cytoskeletal networks provided characterization of their deformations over time. Although no volumetric dilatation of the whole cell was observed under flow, both the actin and MT networks experienced primarily tensile strains in all measured strain components. Regional heterogeneity in the strain field of normal strains was observed in the actin networks, especially in the leading edge to flow, but not in the MT networks. In contrast, side-view shear strains exhibited similar subcellular distribution patterns in both networks. Disruption of MT networks caused actin normal strains to decrease, whereas actin disruption had little effect on the MT network strains, highlighting the networks' mechanical interactions in osteocytes.

Blends of Polypropylene and Syndiotactic 1,2-Polybutadiene: Morphology, Crystallization Behaviors and Mechanical Properties

Morphologies, crystallization behavior and mechanical properties of polypropylene(PP)/syndiotactic 1,2-polybutadiene(s-1,2 PB) blends were investigated. Morphology observation shows the well dispersed domains of s-1,2 PB in PP matrix with the rather small domain sizes from 0.1 to 0.5 mu m when the s-1,2 PB content increases from 5% to 20% (mass fraction) in the blends, and the phase structure tends to become co-continuous as s-1,2 PB content further increases.

Combination of Carbon Nanotubes with Ni2O3 for Simultaneously Improving the Flame Retardancy and Mechanical Properties of Polyethylene

Effects of multiwalled carbon nanotubes (MWCNTs) and Ni2O3 on the flame retardancy of linear low density polyethylene (LLDPE) have been studied. A combination of MWCNTs and Ni2O3 showed a synergistic effect in improving the flame retardancy of LLDPE compared with LLDPE composites containing MWCNTs or Ni2O3 alone. As a result, the peak value of heat release rate measured by cone calorimeter was obviously decreased in the LLDPE/MWCNTs/Ni2O3 Composites. According to the results from rheological tests, carbonization experiments, and structural characterization of residual char, the improved flame retardancy was partially attributed to the formation of a networklike structure due to the good dispersion of MWCNTs in LLDPE matrix, and partially to the carbonization of degradation products of LLDPE catalyzed by Ni catalyst originated from Ni2O3, More importantly, both viscoelastic characteristics and catalytic carbonization behavior of LLDPE/MWCNTs/Ni2O3 composites acted in concert to result in a synergistic effect in improving the flame retardancy.

Ab initio study on the electronic and mechanical properties of ReB and ReC

The structural, electronic, and mechanical properties of ReB and ReC have been studied by use of the density functional theory. For each compound, six structures are considered, i.e., hexagonal WC, NiAs, wurtzite, cubic NaCl, CsCl, and zinc-blende type structures. The results indicate that for ReB and ReC, WC type structure is energetically the most stable among the considered structures, followed by NiAs type structure. ReB-WC (i.e., ReB in WC type structure) and ReB-NiAs are both thermodynamically and mechanically stable. ReC-WC and ReC-NiAs are mechanically stable and becomes thermodynamically stable above 35 and 55 GPa, respectively. The estimated hardness from shear modulus is 34 GPa for ReB-WC, 28GPa for ReB-NiAs, 35GPa for ReC-WC and 37GPa for ReC-NiAs, indicating that they are potential candidates to be ultra-incompressible and hard materials.

First principles investigation on the structural, mechanical and electronic properties of OsC2

The structural, mechanical and electronic properties Of OsC2 were investigated by use of the density functional theory. Seven structures were considered, i.e., orthorhombic Cmca (No. 12, OsSi2), Pmmn (No. 59, 002) and Pnnm (No. 58, OsN2); tetragonal P4(2)/mnm (No. 136, OsO2) and 14/mmm (No. 139, CaC2); cubic Fm-3m (No. 225, CaF2) and Pa-3 (No. 205, PtN2). The results indicate that Cmca in OsSi2 type structure is energetically the most stable phase among the considered structures. It is also stable mechanically. OsC2 in Pmmn phase has the largest bulk modulus 319 GPa and shear modulus 194 GPa. The elastic anisotropy is discussed. (C) 2009 Elsevier B.V. All rights reserved.

Preparation and Physical Properties of LLDPE Grafted with Novel Nonionic Surfactants

Copolymers of linear low-density polyethylene (LLDPE) grafted with two novel nonionic surfactants, acrylic glycerol monostearate ester (AGMS) and acrylic polyoxyethylenesorbitan monooleate ester (ATW-EEN80), containing hydrophilic and hydrophobic groups and 1-olefin double bond were prepared by using a plasticorder at 190 degrees C. To evaluate the grafting degree, two different approaches based on H-1-NMR data were proposed, and FTIR calibration was showed to validate these methods. The rheological response of the molten polymers, determined under dynamic shear flow at small-amplitude oscillations, indicated that crosslinking formation of the chains could be decreased with increasing the monomer concentration. Their thermal behavior was studied by DSC and polarization microscope (PLM): The crystallization temperature (T-C) of grafted LLDPE shifted to higher temperature compared with neat LLDPE because the grafted chains acted as nucleating agents. Water and glycerol were used to calculate the surface free energy of grafted LLDPE films.

First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os)

The elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os) are investigated via first-principles calculations. The calculated results are in agreement with the experimental and other theoretical data. The high ratios of bulk modulus to shear modulus 2.7, 2.0, and 1.8 for gamma'-Fe4N, RuFe3N, and OsFe3N, respectively, indicate that they have good ductility. gamma'-Fe4N possesses the largest B/C-44 (3.41) ratio, which suggests that it is much prone to shearing. The net magnetic moment per formula unit decreases from 9.90 for gamma'-Fe4N, 7.66 for RuFe3N, to 6.80 mu(B) for OsFe3N.

Online study of the formation of PA6 droplets in PP matrix under shear flow

Breakup process of polyamide 6 (PA6) in polypropylene (PP) matrix under shear flow was online studied by using a Linkam CSS 450 stage equipped with optical microscopy. Both tip streaming and fracture breakup modes of PA6 droplets were observed in this study. It was reported that the droplet would break up by tip streaming model when the radio of the droplet phase viscosity to the matrix phase viscosity (n(r) = n(d)/n(m)) is smaller than 0.1 (Taylor, Proc R Soc London A 1934, 146, 501; Grace, Chem Eng Commun 1982, 14, 225; Bartok and Mason, J Colloid Sci 1959, 14, 13; Rumscheidt and Mason, J Colloid Sci 1961, 16, 238; de Bruijn, Chem Eng Sci 1993, 48, 277). However, the tip streaming model was observed even when the viscosity ratio was much greater than 0.1 (n(r) = 1.9). In this study for the tip streaming mode, small droplets were ruptured from the tip of the mother droplet. On the other hand, the mother droplet was broken into two or more daughter droplets with one or several satellite droplets between them for the fracture mode. It was found that PA6 droplet was much elongated at first, and then broke up via tip streaming or fracture to form daughter droplets or small satellite droplets with the shape of fiber or ellipse.

Effect of annealing on the viscoelastic and viscoplastic responses of low-density polyethylene

Two series of tensile tests with constant crosshead speeds (ranging from 5 to 200 mm/min) and tensile relaxation tests (at strains from 0.03 to 0.09) were performed on low-density polyethylene in the subyield region of deformations at room temperature. Mechanical tests were carried out on nonannealed specimens and on samples annealed for 24 h at the temperatures T = 50, 60, 70, 80, and 100 degreesC. Constitutive equations were derived for the time-dependent response of semicrystalline polymers at isothermal deformations with small strains. A polymer is treated as an equivalent heterogeneous network of chains bridged by temporary junctions (entanglements, physical crosslinks, and lamellar blocks). The network is thought of as an ensemble of mesoregions linked with each other. The viscoelastic behavior of a polymer is modeled as a thermally induced rearrangement of strands (separation of active strands from temporary junctions and merging of dangling strands with the network). The viscoplastic response reflects sliding of junctions in the network with respect to their reference positions driven by macrostrains. Stress-strain relations involve five material constants that were found by fitting the observations.

The viscoelastic and viscoplastic behavior of low-density polyethylene

Three series of tensile tests with constant cross-head speeds (ranging from 5 to 200 mm/min), tensile relaxation tests (at strains from 0.03 to 0.09) and tensile creep tests (at stresses from 2.0 to 6.0 MPa) are performed on low-density polyethylene at room temperature. Constitutive equations are derived for the time-dependent response of semicrystalline polymers at isothermal deformation with small strains. A polymer is treated as an equivalent heterogeneous network of chains bridged by temporary junctions (entanglements, physical cross-links and lamellar blocks). The network is thought of as an ensemble of meso-regions linked with each other. The viscoelastic behavior of a polymer is modelled as thermally-induced rearrangement of strands (separation of active strands from temporary junctions and merging of dangling strands with the network). The viscoplastic response reflects mutual displacement of meso-domains driven by macro-strains. Stress-strain relations for uniaxial deformation are developed by using the laws of thermodynamics. The governing equations involve five material constants that are found by fitting the observations. Fair agreement is demonstrated between the experimental data and the results of numerical simulation.