Revisiting rock classification to estimate rock mass properties

This paper presents the results of ongoing research carried out by the author exploring methods to provide a more robust estimate of rock mass properties specifically for use in tunnel design. Data from various large-scale rock mass failures are introduced, including coal pillars. The damage-initiation,spalling-limit approach is compared to the coal pillar database. New comparisons of estimating the geological strength index(GSI) and relationships to estimate the Hoeke Brown failure criterion parameters, mb, s and a, are presented.     

Stochastic free vibration analyses of composite shallow doubly curved shells – A Kriging model approach

This paper presents the Kriging model approach for stochastic free vibration analysis of composite shallow doubly curved shells. The finite element formulation is carried out considering rotary inertia and transverse shear deformation based on Mindlin’s theory. The stochastic natural frequencies are expressed in terms of Kriging surrogate models. The influence of random variation of different input parameters on the output natural frequencies is addressed. The sampling size and computational cost is reduced by employing the present method compared to direct Monte Carlo simulation. The convergence studies and error analysis are carried out to ensure the accuracy of present approach. The stochastic mode shapes and frequency response function are also depicted for a typical laminate configuration. Statistical analysis is presented to illustrate the results using Kriging model and its performance.     

Earliness–tardiness minimization on scheduling a batch processing machine with non-identical job sizes

This paper considers the scheduling problem of minimizing earliness–tardiness (E/T) on a single batch processing machine with a common due date. The problem is extended to the environment of non-identical job sizes. First, a mathematical model is formulated, which is tested effectively under IBM ILOG CPLEX using the constraint programming solver. Then several optimal properties are given to schedule batches effectively, and by introducing the concept of ARB (Attribute Ratio of Batch), it is proven that the ARB of each batch should be made as small as possible in order to minimize the objective, designed as the heuristic information for assigning jobs into batches. Based on these properties, a heuristic algorithm MARB (Minimum Attribute Ratio of Batch) for batch forming is proposed, and a hybrid genetic algorithm is developed for the problem under study by combining GA (genetic algorithm) with MARB. Experimental results demonstrate that the proposed algorithm outperforms other algorithms in the literature, both for small and large problem instances.     

Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system

The total energies of Laves phases in the Cr–Nb and Zr–Cr systems have been calculated by the pseudo-potential VASP code with a full relaxation of all structural parameters. The special quasirandom structures (SQSs) have been constructed and their total energies have been calculated by the VASP code to predict the enthalpies of mixing for bcc and hcp solid solution phases. The phonon calculations for the C14 and C15 Laves phases have been performed to analyze the phase stability at elevated temperatures. The experimental study on the Zr–Cr system has been carried out at different temperatures to determine the phase boundaries. Based on these results, thermodynamic models of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr systems have been developed in this work by using the CALPHAD approach.     

Microwave assisted-in situ synthesis of porous titanium/calcium phosphate composites and their in vitro apatite-forming capability

Microwave irradiation has been proven to be an effective heating source in synthetic chemistry, and can accelerate the reaction rate, provide more uniform heating and help in developing better synthetic routes for the fabrication of bone-grafting implant materials. In this study, a new technique, which comprises microwave heating and powder metallurgy for in situ synthesis of Ti/CaP composites by using Ti powders, calcium carbonate (CaCO₃) powders and dicalcium phosphate dihydrate (CaHPO₄·2H₂O) powders, has been developed. Three different compositions of Ti:CaCO₃:CaHPO₄·2H₂O powdered mixture were employed to investigate the effect of the starting atomic ratio of the CaCO₃ to CaHPO₄·2H₂O on the phase, microstructural formation and compressive properties of the microwave synthesized composites. When the starting atomic ratio reaches 1.67, composites containing mainly alpha-titanium (α-Ti), hydroxyapatite (HA), beta-tricalcium phosphate (β-TCP) and calcium titanate (CaTiO₃) with porosity of 26%, pore size up to 152 μm, compressive strength of 212 MPa and compressive modulus of 12 GPa were formed. The in vitro apatite-forming capability of the composite was evaluated by immersing the composite into a simulated body fluid (SBF) for up to 14 days. The results showed that biodissolution occurred, followed by apatite precipitation after immersion in the SBF, suggesting that the composites are suitable for bone implant applications as apatite is an essential intermediate layer for bone cells attachment. The quantity and size of the apatite globules increased over the immersion time. After 14 days of immersion, the composite surface was fully covered by an apatite layer with a Ca/P atomic ratio approximately of 1.68, which is similar to the bone-like apatite appearing in human hard tissue. The results suggested that the microwave assisted-in situ synthesis technique can be used as an alternative to traditional powder metallurgy for the fabrication of Ti/CaP biocomposites.     

Electronic structure and absolute band edge position of tetragonal AgInS2 photocatalyst: A hybrid density functional study

Energy bands, effective mass of carriers, absolute band edge positions and optical properties of tetragonal AgInS₂ were calculated using a first-principles approach with the exchange correlation described by B3LYP hybrid functional. The results indicate that tetragonal AgInS₂ has a direct band gap of 1.93 eV, which reproduce well experimental value. Calculated effective masses of electrons and holes are both small which are beneficial to separation and migration of electron and hole pairs. This implies that AgInS₂ has good photocatalytic performance. The calculated optical characteristics indicate that AgInS₂ has a slight anisotropy for both the real and imaginary parts of the dielectric function and exhibits large optical absorption in the visible light region. Furthermore, the calculated band edge positions in (100), (010) and (001) surfaces indicate that tetragonal AgInS₂ is beneficial to the reduction and oxidation of water to hydrogen and oxygen under visible light irradiation.     

Novel Bi-Doped Amorphous SnOx Nanoshells for Efficient Electrochemical CO2 Reduction into Formate at Low Overpotentials

Engineering novel Sn-based bimetallic materials could provide intriguing catalytic properties to boost the electrochemical CO₂ reduction. Herein, the first synthesis of homogeneous Sn_1−xBi_x alloy nanoparticles (x up to 0.20) with native Bi-doped amorphous SnO_x shells for efficient CO₂ reduction is reported. The Bi-SnO_x nanoshells boost the production of formate with high Faradaic efficiencies (>90%) over a wide potential window (−0.67 to −0.92 V vs RHE) with low overpotentials, outperforming current tin oxide catalysts. The state-of-the-art Bi-SnO_x nanoshells derived from Sn_0.80Bi_0.20 alloy nanoparticles exhibit a great partial current density of 74.6 mA cm⁻² and high Faradaic efficiency of 95.8%. The detailed electrocatalytic analyses and corresponding density functional theory calculations simultaneously reveal that the incorporation of Bi atoms into Sn species facilitates formate production by suppressing the formation of H₂ and CO.     

Output-relevant Variational autoencoder for Just-in-time soft sensor modeling with missing data

Main challenges for developing data-based models lie in the existence of high-dimensional and possibly missing observations that exist in stored data from industry process. Variational autoencoder (VAE) as one of the deep learning methods has been applied for extracting useful information or features from high-dimensional dataset. Considering that existing VAE is unsupervised, an output-relevant VAE is proposed for extracting output-relevant features in this work. By using correlation between process variables, different weight is correspondingly assigned to each input variable. With symmetric Kullback–Leibler (SKL) divergence, the similarity is evaluated between the stored samples and a query sample. According to the values of the SKL divergence, data relevant for modeling are selected. Subsequently, Gaussian process regression (GPR) is utilized to establish a model between the input and the corresponding output at the query sample. In addition, owing to the common existence of missing data in output data set, the parameters and missing data in the GPR are estimated simultaneously. A practical debutanizer industrial process is utilized to illustrate the effectiveness of the proposed method.     

Annealing temperature dependent structural and optical properties of electrodeposited CdSe thin films

Cadmium selenide films were synthesized using simple electrodeposition method on indium tin oxide coated glass substrates. The synthesized films were post annealed at 200 °C, 300 °C and 400 °C. X-ray diffraction of the films showed the hexagonal structure with crystallite size <3 nm for as deposited films and 3–25 nm for annealed films. The surface morphology of films using field emission scanning electron microscopy showed granular surface. The high resolution transmission electron microscopy of a crystallite of the film revealed lattice fringes which measured lattice spacing of 3.13 Å corresponding to (002) plane, indicating the lattice contraction effect, due to small size of CdSe nanocrystallite. The calculation of optical band gap using UV–visible absorption spectrum showed strong red-shift with increase in crystallite size, indicating to the charge confinement in CdSe nanocrystallite.