International Journal of Computational Materials Science and Engineering

This paper focuses on the material characterization of the A356-T6 aluminum alloy wheel, which is mandatory when an experimental correlation is required with respect to the finite element analysis performed. There is always a chance that the finite element analysis results differ from experimental results if the material properties used for analysis are not developed from the component due to variation in the manufacturing processes and chemical compositions. Hence, the procedure for developing material data is presented, and the respective applicable standards are mentioned. The method of generating a stress–strain curve from the specimens extracted from the alloy wheel is presented. Finite element analysis is performed for impact loads using the developed material stress–strain curve and reference material of the same composition and heat treatment process. The finite element results for both the materials are compared to study the variations.

In this paper, a hybrid complex variable element-free Galerkin (HCVEFG) method is proposed for solving three-dimensional (3D) steady convection–diffusion–reaction equations. By introducing the dimension splitting method (DSM), a 3D convection–diffusion–reaction problem is changed into a series of two-dimensional (2D) ones. For each 2D form, the improved complex variable moving least-squares (ICVMLS) method is applied to obtain the required approximation shape functions, and the penalty method is used to apply the essential boundary conditions, thus we can obtain the 2D discretized equations by using the improved complex variable element-free Galerkin (ICVEFG) method. The finite difference method (FDM) is used in one-dimensional splitting direction. Thus, the final solution formula about the numerical solution for 3D convection–diffusion–reaction problem can be obtained. Three numerical examples show that the HCVEFG algorithm can cut down the CPU cost of the improved element-free Galerkin (IEFG) method greatly for solving 3D steady convection–diffusion–reaction problems.

Foundations can be exposed to seismic loads in addition to static loads in seismic active areas. Thus, it might be necessary in this situation to use deep foundations rather than shallow foundations in order to prevent bearing capacity failure, improve the system’s dynamic stiffness, and/or minimize dynamic oscillations. In a seismically active area, the pile designer is expected to obtain at least the maximum earthquake-induced frictional resistance of the pile in order to achieve the necessary strength to ensure the structural integrity of the pipe pile is not compromised. However, determining the frictional resistance of the pipe pile is considered challenging. Therefore, in this study, design charts and new equations have been proposed to provide straightforward means to the designers to predict the frictional resistance of pipe piles embedded in dry and saturated cohesionless soils. The proposed charts and equations are for closed ended (CE) and open ended (OE) pipe piles. The charts have been developed based on the results of a validated three-dimensional finite element analysis. In addition, the equations were developed using regression analysis, where a high coefficient of correlation values is obtained (ranging between 0.94 and 0.98). The proposed predictive tools could assist designers in preliminary checks of the frictional capacity of pipe piles in seismic active areas.

We have done geometry optimization of two conformers of Lantadene series C and D. The fundamental vibrational frequencies with intensity have been done by using B3LYP/6-311G (d, p) method. The complete vibrational assignments of wavenumbers are made on the basis of potential energy distribution (PED). The nonbonding interactions in Lantadenes C and D are calculated by using the same level theory at the bond critical point (BCP). The calculated topological parameters at BCP are utilized to determine the nature and strength of interactions. We have also computed HOMO–LUMO gap and plotted frontier orbital HOMO–LUMO surfaces, molecular electrostatic potential surfaces to explain the reactive nature of Lantadenes C and D. The electronic transition spectra UV–Vis spectra of Lantadenes C and D are calculated by using TDDFT theory. The values of hyperpolarizability show a probable use of these compounds in electro-optical applications. The natural bonding orbital theory is utilized to calculate transition of electron from donor to acceptor which is very useful to describe nonbonding as well as bonding interactions. The calculated value of Log $P$ and Log $S$ for Lantadene C Lantadene D established its pharmaceutical behaviors. The biological activity of Lantadenes C and D is also calculated by using PASS online server for $\mathrm{\text{Pa}}>70\%$. The docking of Lantadene C Lantadene D is also performed by using Auto dock with predicted drug by Swiss dock online server.

Generally, fiber with a large mode area is desired for fiber laser and beam delivery applications. But the use of these fiber types is restricted to linear optical applications due to the lower value of the nonlinear coefficient. This paper investigates a single material-based photonic crystal fiber (PCF) with improved optical characteristics, applicable for linear and nonlinear optics. The light propagation in the structure is explored by applying finite element solver-based COMSOL multiphysics software. Five nonlinear optical materials are utilized as background material to get the optimized material with high performance PCF. Using this PCF, the improved optical properties of PCF such as moderate effective mode area of 115.85 $\mu {\mathrm{\text{m}}}^2$, chromatic dispersion, confinement loss of 10${}^{-6}$ dB/m, the nonlinear coefficient of 543W${}^{-1}$Km${}^{-1}$, splicing loss of 2.013 dB, and numerical aperture are numerically analyzed. This single-mode PCF also shows the low bending loss for the bending radius of 7mm. The amended PCF structure is found to be suitable for high-power fiber laser, supercontinuum generation, wavelength conversion, and slow-light generation.

The excessive deformation of deep-sea sediments caused by the vibration of the mining machine will adversely affect the efficiency and safety of mining. This paper reports the study of coupled thermo-hydro-mechanical problem for saturated porous deep-sea sediments, subjected to the vibration of the mining vehicle. Based on nonlocal Moore–Gibson–Thompson thermoelastic theory and Darcy’s law, the model for thermo-hydro-mechanical dynamic response for saturated porous deep-sea sediments under the vibration of mining vehicle is established. Analytical solutions for vertical displacement, excess pore water pressure, vertical stress, temperature and the change in the volume fraction field have been obtained on implementing the normal mode analysis, and the numerical results have been depicted graphically. The result provides the direction on how the vibration frequency and the loading amplitude can affect the physical quantities of the foundation of the seabed. The influence of nonlocality and memory effect on the seabed is also reported.