Effects of grain sizes, shapes, and distribution on minimum sizes of representative volume elements of cubic polycrystals

In the literature the concept of representative volume element (RVE) was introduced to correlate the effective or macroscopic properties of materials with the properties of the microscopic constituents and microscopic structures of the materials. However, to date little quantitative knowledge is available about minimum RVE sizes of various engineering materials. In our recent paper [J. Mech. Phys. Solids 50 (2002) 881], a new definition of minimum RVE size was introduced based on the concept of nominal modulus. Numerical experiments using the finite element method (FEM) were then carried out for determining the minimum RVE sizes of more than 500 cubic polycrystals in the plane stress problem, under the assumption that all grains in a polycrystal have the same square shape––called the simple polycrystal model. The major finding is that the minimum RVE sizes for effective elastic moduli have a roughly linear dependence on crystal anisotropy degrees. The present paper takes into account the effect of grain sizes, shapes, and distribution on the minimum RVE sizes for real cubic polycrystals that are formed by crystallization processes. Similar roughly linear dependence is found again, with the slope about 19% lower than that in the simple polycrystal model. This finding is interesting and useful because numerical experiments on minimum RVE sizes for a large number of crystals are quite time-consuming and the simple polycrystal model reduces significantly the FEM pre- and post-processing works. This should be particularly true in numerically testing minimum RVE sizes for three-dimensional polycrystals and for nonelastic properties in future works. With a maximum relative error 5%, all the polycrystals tested have a minimum RVE size of 16 or less times the grain size.     

Development of polyurethane elastomer composite materials by addition of milled fiberglass with coupling agent

Polyurethane elastomer composites were developed using milled fiberglass and their mechanical properties were studied. In particular, the organically chemical treatment of the milled fiberglass was investigated in detail. It was demonstrated that both strength and toughness of the resulting elastomer composites were improved considerably with the addition content of fiberglass. Furthermore, it was indicated that the optimal properties can be achieved by the proper addition of milled fiberglass that was chemically treated using coupling agent.     

Highly monomode W1 waveguide square lattice photonic crystal lasers

Lasing of W1 square lattice-based photonic crystal lasers on the substrate approach is analyzed. A second-order distributed feedback highly monomode behavior is observed. A comprehensive two-dimensional and three-dimensional finite-difference time-domain computation analysis shows that this characteristic arises from the lattice geometry. Single-mode lasers can be obtained using this geometry, opening the way to the realization of monomode laser arrays.     

Effects of compressive and tensile stress on the growth mode of epitaxial oxide films

Oxide films were deposited on different substrates by laser molecular beam epitaxy. Reflection high-energy electron diffraction was performed to in situ investigate the change of growth mode and the lattice relaxation during the growth. An asymmetrical phenomenon was found in the two kinds of strain states, compressive stress and tensile stress of heterostructures with different lattice mismatch. In the case of BaTiO₃/SrTiO₃ (2.2%), 2D layer-by-layer growth mode without lattice relaxation can be maintained for a longer period for BTO films on STO with compressive stress, comparing to STO films on BTO with tensile stress. When MgO films were deposited on SrTiO₃ with a large mismatch of 7.8%, compressive stress leads to rapid lattice relaxation with a very thin wet layer, and 3D strained island were observed. As a comparison, SrTiO₃ films on MgO with tensile stress were configured. No RHEED patterns can be observed duo to a large tensile stress.     

Ionothermal synthesis of a three-dimensional zinc phosphate with DFT topology using unstable deep-eutectic solvent as template-delivery agent

A three-dimensional zinc phosphate compound with DFT topology, designated as ZnPO₄-EU1, has been synthesized by an ionothermal approach from the system HF-ZnO–P₂O₅-choline chloride-imidazolidone. Ethylenediamine, derived from decomposition of the imidazolidone component of the deep-eutectic solvent (DES) itself, is delivered to the synthesis and serves as an appropriate template for ZnPO₄-EU1. Experiments in which the synthesis conditions were varied showed that ZnPO₄-EU1 may be prepared over a wide molar ratio of P/Zn = 0.55–13.0. Powder X-ray diffraction patterns have been obtained at intervals to track the crystallization process of this material. The experimental data show that Zn₃(PO₄)₂ · 4H₂O (a dense phase) was first isolated from the DES after reaction for 1 h. Subsequently, the pure phase of ZnPO₄-EU1 was obtained with increasing crystallization time from 12 h to 72 h. The experimental results show that the nucleation and crystallization take place with relatively low levels of solvent degradation, demonstrating that zinc phosphate with a three-dimensional framework can be synthesized by in situ generation of an appropriate template using an unstable DES at high temperatures (150–200 °C).     

Online and Offline Rotary Regression Analysis of Torque Estimator for Switched Reluctance Motor Drives

A new torque estimator for switched reluctance motor (SRM) drives based on 2-D rotary regression analysis is presented in this paper. The proposed torque estimator is composed of a bicubic regressive polynomial as a function of rotor position and input current. The regressive coefficients can be computed offline or online from the torque characteristics acquired either experimentally or from numerical computation. Furthermore, a torque estimation method by taking mutual coupling into consideration is proposed. It can be seen that the estimated and experimentally obtained self-coupling and mutual-coupling torque characteristics are in good agreement with each other. In addition, the dynamic torque waveforms with and without the mutual coupling, estimated by the proposed estimator, are found to be virtually the same as those obtained from the bicubic spline interpolation for SRM drives with single-pulse voltage, hysteresis current chopping, as well as with voltage pulse width modulation control. The success of all the case studies being reported is a good validation of the usefulness and accuracy of the proposed real-time torque estimator that, as described in this paper, can be used to quickly estimate the instantaneous output torque of SRM drives.     

Studies on adsorption equilibrium of xylenes in AEL framework using biased GCMC and energy minimization

The adsorption of xylene isomers in AlPO₄-11 (AEL network) was investigated using biased grand canonical Monte Carlo (GCMC) simulations. Preferential o-xylene adsorption was predicted by the simulations, in agreement with previously reported experimental data. In AlPO₄-11 the selective adsorption behavior comes from the smaller length of the o-xylene molecule along the crystallographic c-axis compared to p-xylene. This is in contrast to AlPO₄-5 and AlPO₄-8, where the ortho-selectivity is caused by the characteristic face-to-face positioning of o-xylene. Energy minimization studies were also performed in a flexible AlPO₄-11 lattice to study the structural changes upon xylene adsorption. The energy minimization study showed that the AlPO₄-11 crystal distorts upon p- and o-xylene adsorption. The distortion mechanism is related to the strong interaction between xylene methyl groups and the sieve oxygen atoms in the O3 position in the wide region of the pore.     

Effect of vibration condition and inter-particle frictions on the packing of uniform spheres

We present a numerical study of the packing of uniform spheres under three-dimensional vibration using the discrete element method (DEM), focusing on the effects of vibration condition (amplitude and frequency) and inter-particle frictions (sliding and rolling frictions). The results are analysed in terms of packing density, coordination number (CN), radial distribution function (RDF) and pore structure. It is shown that increasing either the vibration amplitude or frequency causes packing density to increase initially to a maximum and then decrease. Both vibration frequency and amplitude should be considered to characterize the effect of vibration process on packing structure. The sliding and rolling frictions between particles can decrease packing density since they dissipate energy, although the effect of rolling friction is less significant. In line with the change of packing density, microstructural properties such as CN, RDF and pore distribution also change: a looser packing often corresponds to smaller CN, less peaked RDF and larger but more widely distributed pores.