Case-based retrieval of 3-dimensional shapes for the design of metal castings

This paper describes research into retrieval based on 3-dimensional shapes for use in the metal casting industry. The purpose of the system is to advise a casting engineer on the design aspects of a new casting by reference to similar castings which have been prototyped and tested in the past. The key aspects of the system are the orientation of the shape within the mould, the positions of feeders and chills, and particular advice concerning special problems and solutions, and possible redesign. The main focus of this research is the effectiveness of similarity measures based on 3-dimensional shapes. The approach adopted here is to construct similarity measures based on a graphical representation deriving from a shape decomposition used extensively by experienced casting design engineers. The paper explains the graphical representation and discusses similarity measures based on it. Performance measures for the CBR system are given, and the results for trials of the system are presented. The competence of the current case-base is discussed, with reference to a representation of cases as points in an n-dimensional feature space, and its principal components visualization. A refinement of the case base is performed as a result of the competence analysis and the performance of the case-base before and after refinement is compared.

Study of Anisotropic Conductive Adhesive Joint Behaviour under 3-Point Bending

Flip chip interconnections using anisotropic conductive film (ACF) are now a very attractive technique for electronic packaging assembly. Although ACF is environmentally friendly, many factors may influence the reliability of the final ACF joint. External mechanical loading is one of these factors. Finite element analysis (FEA) was carried out to understand the effect of mechanical loading on the ACF joint. A 3-dimensional model of adhesively bonded flip chip assembly was built and simulations were performed for the 3-point bending test. The results show that the stress at its highest value at the corners, where the chip and ACF were connected together. The ACF thickness was increased at these corner regions. It was found that higher mechanical loading results in higher stress that causes a greater gap between the chip and the substrate at the corner position. Experimental work was also carried out to study the electrical reliability of the ACF joint with the applied bending load. As per the prediction from FEA, it was found that at first the corner joint failed. Successive open joints from the corner towards the middle were also noticed with the increase of the applied load.

Scalable and efficient graph colouring in 3 dimensions using emergence engineering principles

This paper describes ways in which emergence engineering principles can be applied to the development of distributed applications. A distributed solution to the graph-colouring problem is used as a vehicle to illustrate some novel techniques. Each node acts autonomously to colour itself based only on its local view of its neighbourhood, and following a simple set of carefully tuned rules. Randomness breaks symmetry and thus enhances stability. The algorithm has been developed to enable self-configuration in wireless sensor networks, and to reflect real-world configurations the algorithm operates with 3 dimensional topologies (reflecting the propagation of radio waves and the placement of sensors in buildings, bridge structures etc.). The algorithm’s performance is evaluated and results presented. It is shown to be simultaneously highly stable and scalable whilst achieving low convergence times. The use of eavesdropping gives rise to low interaction complexity and high efficiency in terms of the communication overheads.

A multilevel algorithm for force-directed graph drawing

We describe a heuristic method for drawing graphs which uses a multilevel technique combined with a force-directed placement algorithm. The multilevel process groups vertices to form clusters, uses the clusters to define a new graph and is repeated until the graph size falls below some threshold. The coarsest graph is then given an initial layout and the layout is successively refined on all the graphs starting with the coarsest and ending with the original. In this way the multilevel algorithm both accelerates and gives a more global quality to the force- directed placement. The algorithm can compute both 2 & 3 dimensional layouts and we demonstrate it on a number of examples ranging from 500 to 225,000 vertices. It is also very fast and can compute a 2D layout of a sparse graph in around 30 seconds for a 10,000 vertex graph to around 10 minutes for the largest graph. This is an order of magnitude faster than recent implementations of force-directed placement algorithms.

A multilevel algorithm for force-directed graph-drawing

We describe a heuristic method for drawing graphs which uses a multilevel framework combined with a force-directed placement algorithm. The multilevel technique matches and coalesces pairs of adjacent vertices to define a new graph and is repeated recursively to create a hierarchy of increasingly coarse graphs, G0, G1, …, GL. The coarsest graph, GL, is then given an initial layout and the layout is refined and extended to all the graphs starting with the coarsest and ending with the original. At each successive change of level, l, the initial layout for Gl is taken from its coarser and smaller child graph, Gl+1, and refined using force-directed placement. In this way the multilevel framework both accelerates and appears to give a more global quality to the drawing. The algorithm can compute both 2 & 3 dimensional layouts and we demonstrate it on examples ranging in size from 10 to 225,000 vertices. It is also very fast and can compute a 2D layout of a sparse graph in around 12 seconds for a 10,000 vertex graph to around 5-7 minutes for the largest graphs. This is an order of magnitude faster than recent implementations of force-directed placement algorithms.

Vacuum arc remelting time dependent modelling

Vacuum arc remelting (VAR) aims at production of high quality, segregation-free alloys. The quality of the produced ingots depends on the operating conditions which could be monitored and analyzed using numerical modelling. The remelting process uniformity is controlled by critical medium scale time variations of the order 1-100 s, which are physically initiated by the droplet detachment and the large scale arc motion at the top of liquid pool [1,2]. The newly developed numerical modelling tools are addressing the 3-dimensional magnetohydrodynamic and thermal behaviour in the liquid zone and the adjacent ingot, electrode and crucible.

Thermoelectric MHD effects on equiaxed crystal morphology

The effects of a constant uniform magnetic field on a growing equiaxed crystal are investigated using a 3-dimensional enthalpy based numerical model. Two cases are considered: The first case looks at unconstrained growth, where the current density is generated through the thermo-electric effect and the current circulates between the tips and roots of the dendrite, the second represents an imposed potential difference across the domain. A jump in the electrical conductivity between the liquid and solid causes the current density to be non uniform. In both cases the resulting Lorentz force drives fluid flow in the liquid phase, this in turn causes advection of the thermal and solute field altering the free energy close to the interface and changing the morphology of the dendrite. In the first case the flow field is complex comprising of many circulations, the morphological changes are modelled using a 2D model with a quasi 3D approximation. The second case is comparable to classic problems involving a constant velocity boundary.

Vacuum arc remelting time dependent modelling

Newly developed numerical modelling tools are described, which address the 3-dimensional (3D) time-dependent magnetohydrodynamic and thermal behaviour in the liquid pool zone in the adjacent ingot, electrode and crucible. The melting electrode film flow and the droplet detachment initiation are simulated separately by an axisymmetric transient model.

Thermoelectric MHD in dendritic solidification

The effects of a constant uniform magnetic field on dendritic solidification were investigated using an enthalpy based numerical model. The interaction between thermoelectric currents on a growing crystal and the magnetic field generates a Lorentz force that creates flow. The need for very high resolution at the liquid-solid boundary where the thermoelectric source originates plus the need to accommodate multiple grains for a realistic simulation, make this a very demanding computational problem. For practical simulations, a quasi 3-dimensional approximation is proposed which nevertheless retains essential elements of transport in the third dimension. A magnetic field normal to the plane of growth leads to general flow circulation around an equiaxed dendrite, with secondary recirculations between the arms. The heat/solute advection by the flow is shown to cause a change in the morphology of the dendrite; secondary growth is promoted preferentially on one side of the dendrite arm and the tip velocity of the primary arm is increased. The degree of approximation introduced is quantified by extending the model into 3-dimensions, where the full Navier-Stokes equation is solved, and compared against the 2-dimensional solution.

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.

Details of an integrated approach to three-dimensional dynamic fluid structure interaction

Fluid structure interaction, as applied to flexible structures, has wide application in diverse areas such as flutter in aircraft, wind response of buildings, flows in elastic pipes and blood vessels. Numerical modelling of dynamic fluid-structure interaction (DFSI) involves the coupling of fluid flow and structural mechanics, two fields that are conventionally modelled using two dissimilar methods, thus a single comprehensive computational model of both phenomena is a considerable challenge and until recently work in this area focused on one phenomenon and represented the behaviour of the other more simply. A single, finite volume unstructured mesh (FV-UM) spatial discretisation method has been employed on a single mesh for the entire domain. The Navier Stokes equations for fluid flow are solved using a SIMPLE type procedure and the Newmark b algorithm is employed for solving the dynamic equilibrium equations for linear elastic solid mechanics and mesh movement is achieved using a spring based mesh procedure for dynamic mesh movement. In the paper we describe a number of additional computation issues for the efficient and accurate modelling of three-dimensional, dynamic fluid-structure interaction problems.

Central nervous system drugs: Low temperature X-ray structures of (I) the base 5-(2,3-dichlorophenyl)-2,4-diamino-6-fluoromethyl-pyrimidine (4030W92) and (II) 5-(2,6-dichlorophenyl)-1-H-2,4-diamino-6-methyl-pyrimidine methanesulphonic acid salt (227C89)

The X-ray crystal structures of (I), the base 4030W92, 5-(2,3-dichlorophenyl)-2,4-diamino-6-fluoromethyl-pyrimidine, C11H9Cl2FN4, and (II) 227C89, the methanesulphonic acid salt of 5-(2,6-dichlorophenyl)-1-H-2,4-diamino-6-methyl-pyrimidine, C11H11Cl2N4 center dot CH3O3S, have been carried out at low temperature. A detailed comparison of the two structures is given. Structure (I) is non-centrosymmetric, crystallizing in space group P2(1) with unit cell a = 10.821(3), b = 8.290(3), c = 13.819(4) angstrom, beta = 105.980(6)degrees, V = 1191.8(6) angstrom(3), Z = 4 (two molecules per asymmetric unit) and density (calculated) = 1.600 mg/m(3). Structure (II) crystallizes in the triclinic space group P (1) over bar with unit cell a = 7.686(2), b = 8.233(2), c = 12.234(2) angstrom, alpha = 78.379(4), beta = 87.195(4), gamma = 86.811(4)degrees, V = 756.6(2) angstrom(3), Z = 2, density (calculated) = 1.603 mg/m(3). Final R indices [I > 2sigma(I)] are R1 = 0.0572, wR2 = 0.1003 for (I) and R1 = 0.0558, wR2 = 0.0982 for (II). R indices (all data) are R1 = 0.0983, wR2 = 0.1116 for (I) and R1 = 0.1009, wR2 = 0.1117 for (II). 5- Phenyl-2,4 diaminopyrimidine and 6-phenyl-1,2,4 triazine derivatives, which include lamotrigine (3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine), have been investigated for some time for their effects on the central nervous system. The three dimensional structures reported here form part of a newly developed data base for the detailed investigation of members of this structural series and their biological activities.

Low temperature X-ray structures of two crystalline forms (I) and (II) of the pyrimidine derivative and sodium channel blocker BW1003C87: 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine

The X-ray crystal structures of two crystalline forms of 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine, C10H7Cl3N4 (code name BW1003C87) (I) and (II), have been carried out at liquid nitrogen temperature. A detailed comparison of the two structures is given. Both are centrosymmetric, with structure (I) in the triclinic space group P (1) over bar unit cell a = 6.4870(10), b = 9.216(2), c = 12.016(2) angstrom, alpha = 75.78(3)degrees, beta = 89.95(3)degrees, gamma = 83.45(3)degrees, V = 691.5(2) angstrom(3), Z = 2 and density (calculated) = 1.544 Mg/m(3); and (II) in the monoclinic space group P2(1)/c, unit cell a = 12.000(2), b = 7.518(2), c = 13.450(3) angstrom, beta = 97.87(3)degrees, V = 1202.0(5) angstrom(3), Z = 4, Density (calculated) = 1.600 Mg/m(3). Structure (I) includes a solvated CH3OH in the lattice. Final R indices [I > 2sigma(I)] are R1 = 0.0427, wR2 = 0.1075 for (I) and R1 = 0.0487, wR2 = 0.1222 for (II). R indices (all data) are R1 = 0.0470, wR2 = 0.1118 for (I) and R1 = 0.0623, wR2 = 0.1299 for (II). 5-Phenyl-2,4 diaminopyrimidine and 6-phenyl-1,2,4 triazine derivatives, which include lamotrigine (3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine), have been investigated for some time for their effects on the central nervous system. Both lamotrigine and 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine (code name BW1003C87), the subject of the present study, are anticonvulsant as well as neuroprotective in models of brain ischaemia and in a model of white matter ischaemia. BW1003C87 is a sodium channel blocker which also reduces the release of the neurotransmitter glutamate. The three dimensional structures reported here form part of a newly developed data base for the detailed investigation of members of this drug family and their biological activities.