A multi-scale numerical modelling of crack propagation in a 2D metallic plate

A new multi-scale model of brittle fracture growth in an Ag plate with macroscopic dimensions is proposed in which the crack propagation is identified with the stochastic drift-diffusion motion of the crack-tip atom through the material. The model couples molecular dynamics simulations, based on many-body interatomic potentials, with the continuum-based theories of fracture mechanics. The Ito stochastic differential equation is used to advance the tip position on a macroscopic scale before each nano-scale simulation is performed. Well-known crack characteristics, such as the roughening transitions of the crack surfaces, as well as the macroscopic crack trajectories are obtained.

Computational model for prediction of particle degradation during dilute phase pneumatic conveying: the use of a laboratory scale degradation tester for the determination of degradation propensity

The overall objective of this work is to develop a computational model of particle degradation during dilute-phasepneumatic conveying. A key feature of such a model is the prediction of particle breakage due to particle–wall collisions in pipeline bends. This paper presents a method for calculating particle impact degradation propensity under a range of particle velocities and particle sizes. It is based on interpolation on impact data obtained in a new laboratory-scale degradation tester. The method is tested and validated against experimental results for degradation at 90± impact angle of a full-size distribution sample of granulated sugar. In a subsequent work, the calculation of degradation propensity is coupled with a ow model of the solids and gas phases in the pipeline.

A multi-scale atomistic-continuum modelling of crack propagation in a two-dimensional macroscopic plate

A novel multi-scale seamless model of brittle-crack propagation is proposed and applied to the simulation of fracture growth in a two-dimensional Ag plate with macroscopic dimensions. The model represents the crack propagation at the macroscopic scale as the drift-diffusion motion of the crack tip alone. The diffusive motion is associated with the crack-tip coordinates in the position space, and reflects the oscillations observed in the crack velocity following its critical value. The model couples the crack dynamics at the macroscales and nanoscales via an intermediate mesoscale continuum. The finite-element method is employed to make the transition from the macroscale to the nanoscale by computing the continuum-based displacements of the atoms at the boundary of an atomic lattice embedded within the plate and surrounding the tip. Molecular dynamics (MD) simulation then drives the crack tip forward, producing the tip critical velocity and its diffusion constant. These are then used in the Ito stochastic calculus to make the reverse transition from the nanoscale back to the macroscale. The MD-level modelling is based on the use of a many-body potential. The model successfully reproduces the crack-velocity oscillations, roughening transitions of the crack surfaces, as well as the macroscopic crack trajectory. The implications for a 3-D modelling are discussed.

The airEXODUS evacuation model and its application to evacuation certification, crew training and accident investigation.

Computer based mathematical models describing the aircraft evacuation process have a vital role to play in the design and development of safer aircraft, in the implementation of safer and more rigorous certification criteria, cabin crew training and in post mortuum accident investigation. As the risk of personal injury and costs involved in performing large-scale evacuation experiments for the next generation 'Ultra High Capacity Aircraft' (UHCA) are expected to be high, the development and use of these evacuation modelling tools may become essential if these aircraft are to prove a viable reality. In this paper the capabilities and limitations of the airEXODUS evacuation model are described. Its successful application to the prediction of a recent certification trial, prior to the actual trial taking place, is described. Also described is a newly defined parameter known as OPS which can be used as a measure of evacuation trial optimality. In addition, sample evacuation simulations in the presence of fire atmospheres are described. Finally, the data requiremnets of the airEXODUS evacuation model is discussed along with several projects currently underway at the the Univesity of Greenwich designed to obtain this data. Included in this discussion is a description of the AASK - Aircraft Accident Statistics and Knowledge - data base which contains detailed information from aircraft accident survivors.

The numerical simulation of fire spread within a compartment using an integrated gas and solid phase combustion model

An integrated fire spread model is presented in this study including several sub-models representing different phenomena of gaseous and solid combustion. The integrated model comprises of the following sub-models: a gaseous combustion model, a thermal radiation model that includes the effects of soot, and a pyrolysis model for charring combustible solids. The interaction of the gaseous and solid phases are linked together through the boundary conditions of the governing equations for the flow domain and the solid region respectively. The integrated model is used to simulate a fire spread experiment conducted in a half-scale test compartment. Good qualitative and reasonable quantitative agreement is achieved between the experiment and numerical predictions.

Modelling meso-scale diffusion processes in stochastic fluid bio-membranes

The space–time dynamics of rigid inhomogeneities (inclusions) free to move in a randomly fluctuating fluid bio-membrane is derived and numerically simulated as a function of the membrane shape changes. Both vertically placed (embedded) inclusions and horizontally placed (surface) inclusions are considered. The energetics of the membrane, as a two-dimensional (2D) meso-scale continuum sheet, is described by the Canham–Helfrich Hamiltonian, with the membrane height function treated as a stochastic process. The diffusion parameter of this process acts as the link coupling the membrane shape fluctuations to the kinematics of the inclusions. The latter is described via Ito stochastic differential equation. In addition to stochastic forces, the inclusions also experience membrane-induced deterministic forces. Our aim is to simulate the diffusion-driven aggregation of inclusions and show how the external inclusions arrive at the sites of the embedded inclusions. The model has potential use in such emerging fields as designing a targeted drug delivery system.

Modelling the nano-scale phenomena in condensed matter physics via computer-based numerical simulations

A review of the atomistic modelling of the behaviour of nano-scale structures and processes via molecular dynamics (MD) simulation method of a canonical ensemble is presented. Three areas of application in condensed matter physics are considered. We focus on the adhesive and indentation properties of the solid surfaces in nano-contacts, the nucleation and growth of nano-phase metallic and semi-conducting atomic and molecular films on supporting substrates, and the nano- and multi-scale crack propagation properties of metallic lattices. A set of simulations selected from these fields are discussed, together with a brief introduction to the methodology of the MD simulation. The pertinent inter-atomic potentials that model the energetics of the metallic and semi-conducting systems are also given.

Utilising computational fluid dynamics (CFD) for the modelling of granular material in large-scale engineering processes

In this paper, the framework is described for the modelling of granular material by employing Computational Fluid Dynamics (CFD). This is achieved through the use and implementation in the continuum theory of constitutive relations, which are derived in a granular dynamics framework and parametrise particle interactions that occur at the micro-scale level. The simulation of a process often met in bulk solids handling industrial plants involving granular matter, (i.e. filling of a flat-bottomed bin with a binary material mixture through pneumatic conveying-emptying of the bin in core flow mode-pneumatic conveying of the material coming out of a the bin) is presented. The results of the presented simulation demonstrate the capability of the numerical model to represent successfully key granular processes (i.e. segregation/degradation), the prediction of which is of great importance in the process engineering industry.

A model to predict the life of pneumatic conveyor bends

A new approach to the prediction of bend lifetime in pneumatic conveyors, subject to erosive wear is described. Mathematical modelling is exploited. Commercial Computational Fluid Dynamics (CFD) software is used for the prediction of air flow and particle tracks, and custom code for the modelling of bend erosion and lifetime prediction. The custom code uses a toroidal geometry, and employs a range of empirical data rather than trying to fit classical erosion models to a particular circumstance. The data used was obtained relatively quickly and easily from a gas-blast erosion tester. A full-scale pneumatic conveying rig was used to validate a sample of the bend lifetime predictions, and the results suggest accuracy of within ±65%, using calibration methods. Finally, the work is distilled into user-friendly interactive software that will make erosion lifetime predictions for a wide range of bends under varying conveying conditions. This could be a valuable tool for the pneumatic conveyor design or maintenance engineer.

The development of an advanced ship evacuation simulation software product and associated large scale testing facility for the collection of human shipboard behaviour data

When designing a new passenger ship or modifying an existing design, how do we ensure that the proposed design and crew emergency procedures are safe from an evacuation point of view? In the wake of major maritime disasters such as the Herald of Free Enterprise and the Estonia and in light of the growth in the numbers of high density, high-speed ferries and large capacity cruise ships, issues concerned with the evacuation of passengers and crew at sea are receiving renewed interest. In the maritime industry, ship evacuation models offer the promise to quickly and efficiently bring evacuation considerations into the design phase, while the ship is "on the drawing board". maritimeEXODUS-winner of the BCS, CITIS and RINA awards - is such a model. Features such as the ability to realistically simulate human response to fire, the capability to model human performance in heeled orientations, a virtual reality environment that produces realistic visualisations of the modelled scenarios and with an integrated abandonment model, make maritimeEXODUS a truly unique tool for assessing the evacuation capabilities of all types of vessels under a variety of conditions. This paper describes the maritimeEXODUS model, the SHEBA facility from which data concerning passenger/crew performance in conditions of heel is derived and an example application demonstrating the models use in performing an evacuation analysis for a large passenger ship partially based on the requirements of MSC circular 1033.

Numerical experiments of some Krylov subspace methods for black oil model

This paper discusses preconditioned Krylov subspace methods for solving large scale linear systems that originate from oil reservoir numerical simulations. Two types of preconditioners, one being based on an incomplete LU decomposition and the other being based on iterative algorithms, are used together in a combination strategy in order to achieve an adaptive and efficient preconditioner. Numerical tests show that different Krylov subspace methods combining with appropriate preconditioners are able to achieve optimal performance.

Analysing the evacuation procedures employed on a Thames passenger boat using the maritimeEXODUS evacuation model

On the 19 June 2001, a Thames passenger/tour boat underwent several evacuation trials. This work was conducted in order to collect data for the validation of marine-based computer models. The trials involved 111 participants who were distributed throughout the vessel. The boat had two decks and two points of exit from the lower deck placed on either side of the craft, forward and aft. The boat had a twin set of staircases towards the rear of the craft, just forward of the rear exits. maritimeEXODUS was used to simulate the full-scale evacuation trials conducted. The simulation times generated were compared against the original results and categorised according to the exit point availability. The predictions closely approximate the original results, differing by an average of 6.6% across the comparisons, with numerous qualitative similarities between the predictions and experimental results. The maritimeEXODUS evacuation model was then used to examine the evacuation procedure currently employed on the vessel. This was found to have potential to produce long evacuation times. maritimeEXODUS was used to suggest modifications to the mustering procedures. These theoretical results suggest that it is possible to significantly reduce evacuation times.

The airEXODUS evacuation model and its application to aircraft safety

Computer based mathematical models describing the aircraft evacuation process have a vital role to play in the design and development of safer aircraft, the implementation of safer and more rigorous certification criteria, in cabin crew training and post-mortem accident investigation. As the risk of personal injury and the costs involved in performing full-scale certification trials are high, the development and use of these evacuation modelling tools are essential. Furthermore, evacuation models provide insight into the evacuation process that is impossible to derive from a single certification trial. The airEXODUS evacuation model has been under development since 1989 with support from the UK CAA and the aviation industry. In addition to describing the capabilities of the airEXODUS evacuation model, this paper describes the findings of a recent CAA project aimed at investigating model accuracy in predicting past certification trials. Furthermore, airEXODUS is used to examine issues related to the Blended Wing Body (BWB) and Very Large Transport Aircraft (VLTA). These radical new aircraft concepts pose considerable challenges to designers, operators and certification authorities. BWB concepts involving one or two decks with possibly four or more aisles offer even greater challenges. Can the largest exits currently available cope with passenger flow arising from four or five aisles? Do we need to consider new concepts in exit design? Should the main aisle be made wider to accommodate more passengers? In this paper we discuss various issues evacuation related issues associated VLTA and BWB aircraft and demonstrate how computer based evacuation models can be used to investigage these issues through examination of aisle/exit configurations for BWB cabin layouts.

A comprehensive copper stockpile leach model: background and parameter sensitivity

The design and development of a comprehensive computational model of a copper stockpile leach process is summarized. The computational fluid dynamic software framework PHYSICA+ and various phenomena were used to model transport phenomena, mineral reaction kinetics, bacterial effects, and heat, energy and acid balances for the overall leach process. In this paper, the performance of the model is investigated, in particular its sensitvity to particle size and ore permeability. A combination of literature and laboratory sources was used to parameterize the model. The simulation results from the leach model are compared with closely controlled column pilot scale tests. The main performance characteristics (e.g. copper recovery rate) predicted by the model compare reasonably well with the experimental data and clearly reflect the qualitiative behavior of the process in many respects. The model is used to provide a measure of the sensitivity of ore permeability on leach behavior, and simulation results are examined for several different particle size distributions.

Numerical predictions of particle degradation in industrial-scale pneumatic conveyors

This paper presents an Eulerian-based numerical model of particle degradation in dilute-phase pneumatic conveying systems including bends of different angles. The model shows reasonable agreement with detailed measurements from a pilot-sized pneumatic conveying system and a much larger scale pneumatic conveyor. The potential of the model to predict degradation in a large-scale conveying system from an industrial plant is demonstrated. The importance of the effect of the bend angle on the damage imparted to the particles is discussed.