Correction to: Investigating Energy Flow in Water-Energy Storage for Hydropower Generation in Water Distribution Systems

Water Resources Management - The original version of this article unfortunately contains mistake introduced during the publishing process. The author name “M. Fayzul” should be deleted...     

Pharmacophore and docking-based combined in-silico study of KDR inhibitors

The growth and metastasis of solid tumors is dependent on angiogenesis. The vascular endothelial growth factor (VEGF) and its cell surface receptor in human KDR (kinase domain containing receptor or VEGFR-2) have particular interest because of their importance in angiogenesis. The development of novel inhibitors of VEGFR-2 would be helpful to check the growth of tumors. Quantitative structure activity relationship (QSAR) analyses used to understand the structural factors affecting inhibitory potency of thiazole-substituted pyrazolone derivatives. Several pharmacophore-based models indicated the importance of steric, hydrophobic and hydrogen bond acceptor groups to inhibitory activity. The comparative molecular field analyses (CoMFA) and comparative molecular similarity indices analyses (CoMSIA) based 3D-QSAR models were derived using pharmacophore-based alignment. Both CoMFA (q² = 0.70, r² = 0.97 and ) and CoMSIA (q² = 0.54, r² = 0.82 and ) gave reasonable results. The molecular docking (receptor-guided technique) with a recently reported receptor structure (PDB = 1YWN) were performed. The docked alignment was subsequently used for 3D-QSAR (CoMFA; q² = 0.56, r² = 0.97, , CoMSIA; q² = 0.58 r² = 0.91, ). The overall both studies were indicated, steric, electrostatic and hydrogen bond acceptor effects contribute to the inhibitory activity. CoMFA and CoMSIA models suggested that a positive bulk with hydrophobic effect is desirable around position 4 and 5 and hydrogen bond acceptor groups around pyrazolones ring will be helpful.     

Computational Parametric Analysis of Cellular Solids with the Miura-Ori Metamaterial Geometry under Quasistatic Compressive Loads

Origami-based metamaterials have widespread application prospects in various industries including aerospace, automotive, flexible electronics, and civil engineering structures. Among the wide range of origami patterns, the fourfold tessellation known as Miura-ori is of particular attraction to engineers and designers. More specifically, researchers have proposed different 3D structures and metamaterials based on the geometric characteristics of this classic origami pattern. Herein, a computational modeling approach for the design and evaluation of 3D cellular solids with the Miura-ori metamaterial geometry which can be of zero or nonzero thicknesses is presented. To this end, first, a range of design alternatives generated based on a numerical parametric model is designed. Next, their mechanical properties and failure behavior under quasistatic axial compressive loads along three perpendicular directions are analyzed. Then, the effects of various geometric parameters on their energy absorption behavior under compression in the most appropriate direction are investigated. The findings of this study provide a basis for future experimental investigations and the potential application of such cellular solids for energy-absorbing purposes.     

On Space Efficient Two Dimensional Range Minimum Data Structures

The two dimensional range minimum query problem is to preprocess a static m by n matrix (two dimensional array) A of size N=m⋅n, such that subsequent queries, asking for the position of the minimum element in a rectangular range within A, can be answered efficiently. We study the trade-off between the space and query time of the problem. We show that every algorithm enabled to access A during the query and using a data structure of size O(N/c) bits requires Ω(c) query time, for any c where 1≤c≤N. This lower bound holds for arrays of any dimension. In particular, for the one dimensional version of the problem, the lower bound is tight up to a constant factor. In two dimensions, we complement the lower bound with an indexing data structure of size O(N/c) bits which can be preprocessed in O(N) time to support O(clog ² c) query time. For c=O(1), this is the first O(1) query time algorithm using a data structure of optimal size O(N) bits. For the case where queries can not probe A, we give a data structure of size O(N⋅min {m,log n}) bits with O(1) query time, assuming m≤n. This leaves a gap to the space lower bound of Ω(Nlog m) bits for this version of the problem.     

A linear model of elasto-plastic and adhesive contact deformation

Rigorous non-linear models of elasto-plastic contact deformation are time-consuming in numerical calculations for the distinct element method (DEM) and quite often unnecessary to represent the actual contact deformation of common particulate systems. In this work a simple linear elasto-plastic and adhesive contact model for spherical particles is proposed. Plastic deformation of contacts during loading and elastic unloading, accompanied by adhesion are considered, for which the pull-off force increases with plastic deformation. Considering the collision of a spherical cohesive body with a rigid flat target, the critical sticking velocity and coefficient of restitution in the proposed model are found to be very similar to those of Thornton and Ning’s model. Sensitivity analyses of the model parameters such as plastic, elastic, plastic-adhesive stiffnesses and pull-off force on work of compaction are carried out. It is found that by increasing the ratio of elastic to plastic stiffness, the plastic component of the total work increases and the elastic component decreases. By increasing the interface energy, the plastic work increases, but the elastic work does not change. The model can be used to efficiently represent the force-displacement of a wide range of particles, thus enabling fast numerical simulations of particle assemblies by the DEM.     

Sterilizing tissue-materials using pulsed power plasma

This paper investigates the potential of pulsed power to sterilize hard and soft tissues and its impact on their physico-mechanical properties. It hypothesizes that pulsed plasma can sterilize both vascular and avascular tissues and the transitive layers in between without deleterious effects on their functional characteristics. Cartilage/bone laminate was chosen as a model to demonstrate the concept, treated at low temperature, at atmospheric pressure, in short durations and in buffered environment using a purposed-built pulsed power unit. Input voltage and time of exposure were assigned as controlling parameters in a full factorial design of experiment to determine physical and mechanical alteration pre- and post-treatment. The results demonstrated that, discharges of 11 kV sterilized samples in 45 s, reducing intrinsic elastic modules from 1.4 ± 0.9 to 0.9 ± 0.6 MPa. There was a decrease of 14.1 % in stiffness and 27.8 % in elastic-strain energy for the top quartile. Mechanical impairment was directly proportional to input voltage (P value < 0.05). Bacterial inactivation was proportional to treatment time for input voltages above 32 V (P < 0.001; R _Sq  = 0.98). Thermal analysis revealed that helix-coil transition decelerated with exposure time and collagen fibrils were destabilized as denaturation enthalpy reduced by 200 μV. We concluded by presenting a safe operating threshold for pulsed power plasma as a feasible protocol for effective sterilization of connective tissues with varying level of loss in mechanical robustness which we argue to be acceptable in certain medical and tissue engineering application.     

Graphene oxide reinforced polyvinyl alcohol/polyethylene glycol blend composites as high-performance dielectric material

Novel flexible dielectric composites composed of polyvinyl alcohol (PVA), polyethylene glycol (PEG), and graphene oxide (GO) with high dielectric constant and low dielectric loss have been developed using facile and eco-friendly colloidal processing technique. The structure and morphology of the PVA/PEG/GO composites were evaluated using Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, UV-vis spectroscopy (UV-vis), X-ray diffraction (XRD), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The dielectric behavior of PVA/PEG/GO composites was investigated in the wide range of frequencies from 50 Hz to 20 MHz and temperature in the range 40 to 150 °C using impedance spectroscopy. The dielectric constant for PVA and PVA/PEG (50/50) blend film was found to be 10.71 (50 Hz, 150 °C) and 31.22 (50 Hz, 150 °C), respectively. The dielectric constant for PVA/PEG/GO composite with 3 wt% GO was found to be 644.39 (50 Hz, 150 °C) which is 60 times greater than the dielectric constant of PVA and 20 times greater than the dielectric constant of PVA/PEG (50/50) blend film. The PVA/PEG/GO composites not only show high dielectric constant but also show low dielectric loss which is highly attractive for practical applications. These findings underline the possibilities of using PVA/PEG/GO composites as a flexible dielectric material for high-performance energy storage applications such as embedded capacitors.     

Dielectric properties and electromagnetic interference shielding studies of nickel oxide and tungsten oxide reinforced polyvinylchloride nanocomposites

ABSTRACT

Polyvinylchloride (PVC)/nickel oxide (NiO)/tungsten oxide (WO₃) nanocomposite films were prepared via solution casting technique. The crystallinity, morphology, and the analysis of dispersion state of PVC/NiO/WO₃ nanocomposite was carried out using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The dielectric studies of nanocomposite films were investigated and a maximum dielectric constant of 2.3 with dielectric loss (tan δ) of 2.4 was attained. The EMI shielding studies were carried out in the X and Ku-band frequency range (8 GHz-18 GHz). The maximum SE of 15.78 dB in X-band and 12.05 dB in Ku-band was achieved for 75/20/5 compositions of the PVC/NiO/WO₃ nanocomposite.     

DOE applied to multi-response optimisation study on performance,combustion and emission characteristics of a VCR diesel engine

There are various parameters which may influence the IC engine performance. The trial and error method is a technique used to identify the best parameters. However, this method demands extensive experimental work and results in a great waste of time and resources. Thus, the design of experiments (DOEs) developed by Taguchi is employed. The multi-responses which need to be maximised are brake thermal efficiency, mechanical efficiency, cylinder pressure and cumulative heat release rate, whereas the responses which are to be minimised are specific fuel consumption, oxides of nitrogen and carbon monoxide. In the present study, an optimised DOE(L9) orthogonal array based on the Taguchi statistical method was formulated and a series of experiments were conducted under controlled supervision by considering three different injection operating pressures (IOPs) (200, 220 and 240 bar) and three different compression ratios (CRs) (16.5, 17.5 and 18.5). The main objective of this paper is to find the best suited IOP and CR values which obtain higher performance, better combustion and lower emissions.