The computer modelling of development proposals : a routine part of development control

This paper describes and discusses the aims and practicalities involed in the computer modelling of contentious development applications becoming accepted as a routine part of the processes of development control.  It uses three case studies frawn from the University of Adelaide's work with the City of Adelaide in Australia to delineate the role of 3D computer models of proposed new buildings and their immediate surroundings in the public understanding of the streetscape, neighbourhood context, overshadowing and overlooking implications of the proposals.

Application of GIS-based computer modelling to planning for adaption to climate change in rural areas

A GIS-based computer modelling methodology was developed and applied to identify climate change adaptation issues arising in regional agricultural production systems (including forestry). Agricultural production in Australia is very susceptible to the adverse impacts of climate change due to projected shifts in rainfall and temperature. The methodology integrates land suitability analysis with uncertainty analysis and spatial (regional) optimisation to determine optimal agricultural land use at a regional scale for current and possible future climatic conditions. The approach can be used to recognise regions under threat of productivity decline, identify alternative cropping systems that may be better adapted to likely future conditions, and investigate implementation actions to improve the sub-optimal situations created by climate change. An example of how the methodology may be used is outlined through a case study involving the South West Region of Victoria, Australia. The case study provides information on the tools available to support the formulation of a regional adaptation strategy.

Elucidation of transport mechanism and enhanced alkali ion transference numbers in mixed alkali metal-organic ionic molten salts

Mixed salts of Ionic Liquids (ILs) and alkali metal salts, developed as electrolytes for lithium and sodium batteries, have shown a remarkable ability to facilitate high rate capability for lithium and sodium electrochemical cycling. It has been suggested that this may be due to a high alkali metal ion transference number at concentrations approaching 50 mol% Li(+) or Na(+), relative to lower concentrations. Computational investigations for two IL systems illustrate the formation of extended alkali-anion aggregates as the alkali metal ion concentration increases. This tends to favor the diffusion of alkali metal ions compared with other ionic species in electrolyte solutions; behavior that has recently been reported for Li(+) in a phosphonium ionic liquid, thus an increasing alkali transference number. The mechanism of alkali metal ion diffusion via this extended coordination environment present at high concentrations is explained and compared to the dynamics at lower concentrations. Heterogeneous alkali metal ion dynamics are also evident and, somewhat counter-intuitively, it appears that the faster ions are those that are generally found clustered with the anions. Furthermore these fast alkali metal ions appear to correlate with fastest ionic liquid solvent ions.

Hyaluronic acid–collagen network interactions during the dynamic compression and recovery of cartilage

A compression cell designed to fit inside an NMR spectrometer was used to investigate (i) the in situ dynamic strain response and structural changes of the internal pore network, and (ii) the diffusion and flow of interstitial water, in full thickness cartilage samples as they were mechanically deformed under a constant compressive load (pressure) and then allowed to recover (swell again) when the load was removed. Selective enzymatic digestion of the collagen fibril network and the glycopolysaccharide hyaluronic acid (HA) was performed to mimic some of the structural and compositional changes associated with osteoarthritis. Digestion of collagen gave rise to mechanical ‘dynamic softening’ and—perhaps more importantly—nearly complete loss in the ability to recover through swelling, both effects due to the disruption of the hierarchical structure and fibril interconnectivity in the collagen network which adversely affects its ability to deform reversibly and to properly regulate the pressurization and resulting rate and direction of interstitial fluid flow. In contrast, digestion of HA inside the collagen pore network caused the cartilage to ‘dynamically stiffen’ which is attributed to the decrease in the osmotic (entropic) pressure of the digested HA molecules confined in the cartilage pores that causes the network to contract and thereby become less permeable to flow. These digestioninduced changes in cartilage’s properties reveal a complex relationship between the molecular weight and concentration of the HA in the interstitial fluid, and the structure and properties of the collagen fibril pore network, and provide new insights into how changes in either could influence the onset and progression of osteoarthritis.

Directional fluid transport in thin porous materials and its functional applications

Directional fluid motion driven by the surface property of solid substrate is highly desirable for manipulating microfluidic liquid and collecting water from humid air. Studies on such liquid motion have been confined to dense material surfaces such as flat panels and single filaments. Recently, directional fluid transport through the thickness of thin porous materials has been reported by several research groups. Their studies not only attract fundamental, experimental and theoretical interest but also open novel application opportunities. This review article summarizes research progress in directional fluid transport across thin porous materials. It focuses on the materials preparation, basic properties associated with directional fluid transport in thin porous media, and their application development. The porous substrates, type of transporting fluids, structure-property attributes, and possible directional fluid transport mechanism are discussed. A perspective for future development in this field is proposed.

Application of radial return mapping algorithm for finite strain elastoplasticity in a hybrid finite element and particle-in-cell model

The radial return mapping algorithm within the computational context of a hybrid Finite Element and Particle-In-Cell (FE/PIC) method is constructed to allow a fluid flow FE/PIC code to be applied solid mechanic problems with large displacements and large deformations. The FE/PIC method retains the robustness of an Eulerian mesh and enables tracking of material deformation by a set of Lagrangian particles or material points. In the FE/PIC approach the particle velocities are interpolated from nodal velocities and then the particle position is updated using a suitable integration scheme, such as the 4th order Runge-Kutta scheme[1]. The strain increments are obtained from gradients of the nodal velocities at the material point positions, which are then used to evaluate the stress increment and update history variables. To obtain the stress increment from the strain increment, the nonlinear constitutive equations are solved in an incremental iterative integration scheme based on a radial return mapping algorithm[2]. A plane stress extension of a rectangular shape J2 elastoplastic material with isotropic, kinematic and combined hardening is performed as an example and for validation of the enhanced FE/PIC method. It is shown that the method is suitable for analysis of problems in crystal plasticity and metal forming. The method is specifically suitable for simulation of neighbouring microstructural phases with different constitutive equations in a multiscale material modelling framework.

Modelling and simulation for manufacturing systems : challenges and benefits

Computer modelling and simulation is an indispensable tool of the information age, used extensively in design, analysis, operations, decision-making, optimization, and education and training. Manufacturing, production and design relies upon simulation to develop efficient production systems and factories that produce quality products. Computer simulation allows scientists and engineers to understand and predict three-dimensional and time-dependent phenomena in science and engineering discipline. This talk will focus on challenges associated with modelling and simulation in the manufacturing sector and through a number of case studies highlights the benefits gained through the use of such technologies.

Room temperature fast-ion conduction in imidazolium halide salts

Fast-ion conduction has been observed in the iodide and bromide salts of 1-methyl-3-ethylimidazolium at ambient temperatures. The melting point of these two compounds is above 350 K and even at 273 K the ionic conductivity in the solid-state is greater than 10⁻³S cm⁻¹. Cation diffusion coefficients have been measured using fringe field gradient and/or pulse field gradient ¹H NMR techniques, which indicated cation diffusion coefficients of the order of 10⁻¹⁰ m² s⁻¹ in the solid-state. Remarkably, these values are up to an order of magnitude higher than the cation diffusion coefficient in the supercooled liquid at 293 K. The activation energy for diffusion in the solid-state is extremely small, as is typical of solid-state fast-ion conductors and indicates a change in transport mechanism from the melt to the crystal. The inability to detect an ¹²⁷I signal together with the modelling of the conductivity using the Nernst–Einstein equation suggests that the solid-state conduction is primarily due to cation diffusion. The solid-state fast-ion conduction is most likely related to vacancy diffusion along the cation layers in the crystal. The temperature dependence of the NMR signal intensity indicates that the number of mobile species is increasing with increasing temperature with an activation energy of approximately 20–30 kJ mol⁻¹.

A comparative study of secondary Ion emission from water ice under Ion bombardment by Au+, Au3+, and C60+

Secondary ion emission from water ice has been studied using Au⁺, Au₃⁺, and C₆₀⁺ primary ions. In contrast to the gas phase in which the spectra are dominated by the (H₂O)_nH⁺ series of ions, the spectra from ice using all three primary ions are principally composed of two series of cluster ions (H₂O)_nH⁺ and (H₂O)_n⁺. Dependent on the conditions, the unprotonated series can dominate the spectra. Since in the gas phase (H₂O)_n⁺ is unstable with respect to the formation of the protonated ion series, the presence of the solid must provide a means to stabilize their formation. The cluster ion yields under Au⁺ bombardment are very low and can be understood in terms of sputtering on the borderline between linear cascade and thermal spike behavior. There is a 10⁴ increase in yield across the whole spectrum compared to Au⁺ when Au₃⁺ and C₆₀⁺ species are used as primary ions. The character of the spectra differed between these two primary ions, but insights into the mechanism of secondary ion emission for both is discussed within an energy deposition framework provided by the fluid flow-based mesoscale energy deposition footprint (MEDF) model that predicts a cone-shaped zone of activation and emission. C₆₀⁺ differs from Au^₃+ in that it delivers its energy closer to the surface, and it is argued this has consequences for the cluster ion distribution and yield. Increasing the ion dose by sputtering suppresses the yield of (H₂O)_n⁺ and increases the yield of the protonated ions in the small cluster region, whereas the yield in the large cluster regime is suppressed significantly. The three primary ions show rather different behavior, and this is discussed in the light of the sputtering models. Finally, negative ion spectra including cluster ions have been observed for the first time. C₆₀⁺ delivers the highest yields, but these are less than 10 times the positive ion yields, probably because the O and OH fragment ions on which the clusters are based are easily neutralized by protons.