{X,Y}-Cyclacene Graphs with Next Nearest Neighbor Interactions

Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions.     

Off‐grid DoA estimation method of wideband signals

In this paper, an off‐grid direction of arrival (DoA) estimation method is proposed for wideband signals. This method is based on the sparse representation (SR) of the array covariance matrix. Similar to the time domain DoA estimation methods, the correlation function of the sources was assumed to be the same and known. A new measurement vector is obtained using the lower‐left triangular elements of the covariance matrix. The DoAs are estimated by quantizing the entire range of continuous angle space into discrete grid points. However, the exact DoAs may be located between two grid points; therefore, this estimation has errors. The accuracy of DoA estimation is improved by the minimization of the difference between the new measurement vector and its estimated values. Simulation results revealed that the proposed method can enhance the DoA estimation accuracy of wideband signals.     

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.     

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.     

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.     

Achieving Rich and Active Alkaline Hydrogen Evolution Heterostructures via Interface Engineering on 2D 1T‐MoS2 Quantum Sheets

Large‐scale production of hydrogen from water‐alkali electrolyzers is impeded by the sluggish kinetics of hydrogen evolution reaction (HER) electrocatalysts. The hybridization of an acid‐active HER catalyst with a cocatalyst at the nanoscale helps boost HER kinetics in alkaline media. Here, it is demonstrated that 1T–MoS₂ nanosheet edges (instead of basal planes) decorated by metal hydroxides form highly active ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ heterostructures, which significantly enhance HER performance in alkaline media. Featured with rich ${\text{edge}}_{{\text{1T‐MoS}}_{\text{2}}}$/ ${\text{edge}}_{\text{Ni}{(\text{OH})}_{\text{2}}}$ sites, the fabricated 1T–MoS₂ QS/Ni(OH)₂ hybrid (quantum sized 1T–MoS₂ sheets decorated with Ni(OH)₂ via interface engineering) only requires overpotentials of 57 and 112 mV to drive HER current densities of 10 and 100 mA cm^?2, respectively, and has a low Tafel slope of 30 mV dec^?1 in 1 m KOH. So far, this is the best performance for MoS₂‐based electrocatalysts and the 1T–MoS₂ QS/Ni(OH)₂ hybrid is among the best‐performing non‐Pt alkaline HER electrocatalysts known. The HER process is durable for 100 h at current densities up to 500 mA cm^?2. This work not only provides an active, cost‐effective, and robust alkaline HER electrocatalyst, but also demonstrates a design strategy for preparing high‐performance catalysts based on edge‐rich 2D quantum sheets for other catalytic reactions.