Implementation of periodic boundary conditions for loading of mechanical metamaterials and other complex geometric microstructures using finite element analysis

The implementation of periodic boundary conditions (PBCs) is one of the most important and difficult steps in the computational analysis of structures and materials. This is especially true in cases such as mechanical metamaterials which typically possess intricate geometries and designs which makes finding and implementing the correct PBCs a difficult challenge. In this work, we analyze one of the most common PBCs implementation technique, as well as implement and validate an alternative generic method which is suitable to simulate any possible 2D microstructural geometry with a quadrilateral unit cell regardless of symmetry and mode of deformation. A detailed schematic of how both these methods can be employed to study 3D systems is also presented.

     

Nonlinear theory of non-uniform torsion of thin-walled open beams

A nonlinear theory of non-uniform torsion based on finite displacements is developed. Expressions for the finite nonlinear strains in Lagrangian coordinates and the Kirchhoff stresses for thin-walled open beams are presented. Using the principle of stationary total potential, the dual forms of the beam equilibrium equations are derived. For conservatively loaded thin-walled open beams a static stability criterion, based on the positive definiteness of the second variation of the total potential, is presented. The criterion developed takes into account the effects of changes in beam geometry such as initial bending curvature, prior to instability.     

Analytical Models and Guidelines for the Ductility Enhancement of Circular Reinforced Concrete Single-Column Bents Using Fiber-Reinforced Polymers

The target displacement ductility requirements for circular RC single-column bridge bents are considered using a proposed multifailure mode algorithm to determine the required thickness of fiber-reinforced polymer wraps (FRPs). The procedure is developed using two in-house computer algorithms, PACCC (plastic analysis of circular concrete columns) and PACCC-FRP, to generate a moment-curvature analysis using circular segment slices and subsequent failure mode predictions in single-column bents for both FRP-wrapped and unwrapped circular RC sections. The results of the study showed good comparison to published experimental tests at the ultimate force-deflection states of RC sections and against three commercial “software test beds.” The study uses PACCC-FRP to show that single columns experiencing a brittle failure may be retrofitted with FRP wraps in order to increase the displacement ductility and satisfy target ductility values within the ductility wrap envelope, or wrap-saturation level, as established herein.     

Composites with needle-like inclusions exhibiting negative thermal expansion: A preliminary investigation

In this work a simple cylindrical structure with a stiff needle-like inclusion embedded within a much softer matrix is presented and analysed with the aim of obtaining a system with tunable thermal expansion properties. It is shown that by the correct combination of the thermal and mechanical properties of the matrix and inclusion, it is possible to design a system which can be tailor-made to exhibit particular values of the coefficient of thermal expansion (CTE) in the radial direction and also negative thermal expansion (NTE). In particular an analytical model to quantify the radial strain with changes in temperature is derived and verified through finite element analysis. The model is used to find correct property combinations which lead to particular values of thermal expansion which could also be negative or zero.     

Effects of SiC nanoparticles with and without Ni on the hydrogen storage properties of MgH2

In this work, MgH₂–SiC–Ni was prepared by magneto-mechanical milling in hydrogen atmosphere. Scanning electron microscope mapping images showed a homogeneous dispersion of both Ni and SiC among MgH₂ particles. Based on the differential scanning calorimetry traces, the temperature of desorption is reduced by doping MgH₂ with SiC and Ni. Hydrogen absorption/desorption behaviour of the samples was investigated by Sievert's method at 300 °C, and the results showed that both capacity and kinetics were improved by adding SiC and Ni. The hydrogen desorption kinetic investigation indicated that for pure MgH₂, the rate-determining step is surface controlled and recombination, while for the MgH₂–SiC–Ni sample it is controlled as described by the Johnson–Mehl–Avrami 3D model (JMA 3D).     

Anodic titania films as anode materials for lithium ion batteries

Titania thin films were prepared through the anodisation of titanium metal in a 1.0 M sulphuric acid solution at 80 °C utilising a series of pulsed dc constant currents of increasing magnitude. Films were then tested as a potential anode material for lithium batteries using a variety of techniques. Electrochemical testing revealed that the films (3.8 cm²) offered good rate capabilities affording a constant capacity of 48 μAh for a constant current of 10 μA which decreased to 25 μAh on increasing the current to 1250 μA. Cyclic voltammetry was conducted over a range of scan rates from which capacitive currents were examined and rate constants, transfer coefficients and diffusion coefficients calculated. Electrochemical impedance spectroscopy was conducted over six potentials in the range 0.1-2.7 V with the experimental data successfully modelled using an equivalent circuit with the notation R(Q(RW))C. TEM observation of focussed ion beam milled cross-sections showed significant structural differences between the as-anodised film and those cycled in a lithium battery. Raman spectroscopy showed that the films had an anatase character that transformed into an unidentified lithium-containing, titanate phase on cycling. Based on a film thickness of 100 nm, and assuming density of 4 g cm⁻³ such films offered a stable capacity of 316 mAh g⁻¹.     

Oxidation of Glycerol Using Supported Gold Catalysts

A series of supported gold catalysts (0.25, 0.5, 1.0 wt% Au/graphite) have been investigated for the oxidation of glycerol and propan-1,2-diol. The 1 wt% Au/graphite catalyst is found to give 100% selectivity to the mono acid product, isolated as the sodium salt, as long as NaOH is present. The catalysts are characterized by TEM and cyclic voltammetry. By TEM, active catalysts all comprise fairly broad-size distributions (5–50 nm diameter) for the gold nanoparticles, although most are ca. 25 nm in diameter. An inactive 1 wt% Au/graphite is shown to have considerably larger particle sizes (>50 nm) and this indicates that there may be an optimum particle size for the desired catalysis. Characterization using cyclic voltammetry of active Au/graphite catalysts carried out in NaOH reveals the presence of an oxide species that may be responsible for the observed catalysis. In contrast, the inactive 1 wt% Au/graphite catalyst shows no oxidation in the cyclic voltammetry experiments.