Nanoscopic modelling of the adhesion, indentation and fracture characteristics of metallic systems via molecular dynamics simulations

Large-scale molecular dynamics simulations have been performed on canonical ensembles to model the adhesion and indentation characteristics of 3-D metallic nano-scale junctions in tip-substrate geometries, and the crack propagation in 2-D metallic lattices. It is shown that irreversible flows in nano-volumes of materials control the behaviour of the 3-D nano-contacts, and that local diffusional flow constitutes the atomistic mechanism underlying these plastic flows. These simulations show that the force of adhesion in metallic nano-contacts is reduced when adsorbate monolayers are present at the metal—metal junctions. Our results are in agreement with the conclusions of very accurate point-contact experiments carried out in this field. Our fracture simulations reveal that at low temperatures cleavage fractures can occur in both an elemental metal and an alloy. At elevated temperatures, the nucleation of dislocations is shown to cause a brittle-to-ductile transition. Limiting crack propagation velocities are computed for different strain rates and a dynamic instability is shown to control the crack movement beyond this limiting velocity, in line with the recent experimental results.

Modelling induction melting energy savings

Electromagnetic processing of liquid metals involves dynamic change of the fluid volume interfacing with a melting solid material, gas or vacuum, and possibly a different liquid. Electromagnetic field and the associated force field are strongly coupled to the free surface dynamics and the heat-mass transfer. We present practical modelling examples of the flow and heat transfer using an accurate pseudo-spectral code and the k-omega turbulence model suitable for complex and transitional flows with free surfaces. The 'cold crucible' melting is modelled dynamically including the melting front gradual propagation and the magnetically confined free surrounding interface. Intermittent contact with the water-cooled segmented wall and the radiation heat losses are parts of the complex problem.

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.

Dynamics of magnetically suspended fluid

Magnetic suspension is a technique for processing pure or reactive materials without contact to walls. This work is concerned with the flow in the rapidly deforming liquid volume, suspended in an AC magnetic field. Intense flow motion due to the induced electromagnetic force distorts dynamically the droplet envelope. The relative positional change between the liquid surface and the surrounding coil means that fluid flow and magnetic field computations need to be closely coupled. The computed results are compared against a physical experiment and nearly spherical analytic solutions. A comparison between the "magetic pressure" approximation and the full electromagnetic force solutions shows fundamental differences; the full electromagnetic force is necessary for accurate results in most practical applications of this technique. The physical reason for the fundamental discrepancy is the difference in the electromagnetic force representation: only the gradient part of the full force is accounted for in the "magnetic pressure" approximation.

The effect of reflow process on the contact resistance and reliability of anisotropic conductive film interconnection for flip chip on flex applications

The work presented in this paper focuses on the effect of reflow process on the contact resistance and reliability of anisotropic conductive film (ACF) interconnection. The contact resistance of ACF interconnection increases after reflow process due to the decrease in contact area of the conducting particles between the mating I/O pads. However, the relationship between the contact resistance and bonding parameters of the ACF interconnection with reflow treatment follows the similar trend to that of the as-bonded (i.e. without reflow) ACF interconnection. The contact resistance increases as the peak temperature of reflow profile increases. Nearly 40% of the joints were found to be open after reflow with 260 °C peak temperature. During the reflow process, the entrapped (between the chip and substrate) adhesive matrix tries to expand much more than the tiny conductive particles because of the higher coefficient of thermal expansion, the induced thermal stress will try to lift the bump from the pad and decrease the contact area of the conductive path and eventually, leading to a complete loss of electrical contact. In addition, the environmental effect on contact resistance such as high temperature/humidity aging test was also investigated. Compared with the ACF interconnections with Ni/Au bump, higher thermal stress in the Z-direction is accumulated in the ACF interconnections with Au bump during the reflow process owing to the higher bump height, thus greater loss of contact area between the particles and I/O pads leads to an increase of contact resistance and poorer reliability after reflow.

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.

Maximising heat transfer efficiency in the cold crucible induction melting process

Induction heating is an efficient method used to melt electrically conductive materials, particularly if melting takes place in a ceramic crucible. This form of melting is particularly good for alloys, as electromagnetic forces set up by the induction coil lead to vigorous stirring of the melt ensuring homogeneity and uniformity in temperature. However, for certain reactive alloys, or where high purity is required, ceramic crucibles cannot be used, but a water-cooled segmented copper crucible is employed instead. Water cooling prevents meltdown or distortion of the metal wall, but much of the energy goes into the coolant. To reduce this loss, the electromagnetic force generated by the coil is used to push the melt away from the walls and so minimise contact with water-cooled surfaces. Even then, heat is lost through the crucible base where contact is inevitable. In a collaborative programme between Greenwich and Birmingham Universities, computer modelling has been used in conjunction with experiments to improve the superheat attainable in the melt for a,number of alloys, especially for y-TiAl intermetallics to cast aeroengine turbine blades. The model solves the discretised form of the turbulent Navier-Stokes, thermal energy conservation and Maxwell equations using a Spectral Collocation technique. The time-varying melt envelope is followed explicitly during the computation using an adaptive mesh. This paper briefly describes the mathematical model used to represent the interaction between the magnetic field, fluid flow, heat transfer and change of phase in the crucible and identifies the proportions of energy used in the melt, lost in the crucible base and in the crucible walls. The role of turbulence is highlighted as important in controlling heat losses and turbulence damping is introduced as a means of improving superheat. Model validation is against experimental results and shows good agreement with measured temperatures and energy losses in the cooling fluid throughout the melting cycle.