Molecular dynamics simulation of observed c(4x4) and c(4x3) C60 alignments on the Si(100) reconstructed surface.

We have implemented a large-scale classical molecular dynamics simulation at constant temperature to provide a theoretical insight into the results of a recently performed experiment on the monolayer and multi-layer formations of molecular films on the Si(100) reconstructed dimerized surface. Our simulation has successfully reproduced all of the morphologies observed on the monolayer film by this experiment. We have obtained the formation of both c(4 4) and c(4 3) structures of the molecules and have also obtained phase transitions of the former into the latter.

Simulation of transverse and longitudinal magnetic ripple structures induced by surface anisotropy

Micromagnetic ripple structures on the surfaces of thick specimens of ultra-soft magnetic material having strong surface anisotropy Ks favouring out-of-surface magnetization have been calculated. These ripples have wavelengths of the order of 0.1 μm and extend to a depth ∼ √A/Ms, where A is the exchange constant and Ms is the saturation magnetization. The wave-vectors of the ripple structures are either transverse or parallel to the bulk magnetization. Both structures have lower energy than the one-dimensional structure discussed by O'Handley and Woods, and they exhibit stronger normal magnetization. The transverse structure requires a surface anisotropy Ks ≥ 0.80K0, where is that required for the one-dimensional structure. The threshold for longitudinal ripples is 0.84K0. It is suggested that the transverse structure probably constitutes the ground state. The magnitudes of Ks and A should be obtainable from measurements of the ripple wavelength and amplitude, and Ms.

Surface physics at the nano-scale via scanning probe microscopy and molecular dynamics simulations

Probe-based scanning microscopes, such as the STM and the AFM, are used to obtain the topographical and electronic structure maps of material surfaces, and to modify their morphologies on nanoscopic scales. They have generated new areas of research in condensed matter physics and materials science. We will review some examples from the fields of experimental nano-mechanics, nano-electronics and nano-magnetism. These now form the basis of the emerging field of Nano-technology. A parallel development has been brought about in the field of Computational Nano-science, using quantum-mechanical techniques and computer-based numerical modelling, such as the Molecular Dynamics (MD) simulation method. We will report on the simulation of nucleation and growth of nano-phase films on supporting substrates. Furthermore, a theoretical modelling of the formation of STM images of metallic clusters on metallic substrates will also be discussed within the non-equilibrium Keldysh Green function method to study the effects of coherent tunnelling through different atomic orbitals in a tip-sample geometry.

A computational model for defect prediction in shape castings based on the interaction of free surface flow, heat transfer, and solidification phenomena

High-integrity castings require sophisticated design and manufacturing procedures to ensure they are essentially macrodefect free. Unfortunately, an important class of such defects—macroporosity, misruns, and pipe shrinkage—are all functions of the interactions of free surface flow, heat transfer, and solidication in complex geometries. Because these defects arise as an interaction of the preceding continuum phenomena, genuinely predictive models of these defects must represent these interactions explicitly. This work describes an attempt to model the formation of macrodefects explicitly as a function of the interacting continuum phenomena in arbitrarily complex three-dimensional geometries. The computational approach exploits a compatible set of finite volume procedures extended to unstructured meshes. The implementation of the model is described together with its testing and a measure of validation. The model demonstrates the potential to predict reliably shrinkage macroporosity, misruns, and pipe shrinkage directly as a result of interactions among free-surface fluid flow, heat transfer, and solidification.

Modelling induction skull melting design modifications

Induction Skull Melting (ISM) is used for heating, melting, mixing and, possibly, evaporating reactive liquid metals at high temperatures when a minimum contact at solid walls is required. The numerical model presented here involves the complete time dependent process analysis based on the coupled electromagnetic, temperature and turbulent velocity fields during the melting and liquid shape changes. The simulation is validated against measurements of liquid metal height, temperature and heat losses in a commercial size ISM furnace. The often observed limiting temperature plateau for ever increasing electrical power input is explained by the turbulent convective heat losses. Various methods to increase the superheat within the liquid melt, the process energy efficiency and stability are proposed.

Numerical simulation of free surface behaviour of a molten liquid metal droplet with and without electromagnetic induction

Electromagnetic levitation of electrically conductive droplets by alternating magnetic fields is a technique used to measure the physical properties of liquid metallic alloys such as surface tension or viscosity. Experiments can be conducted under terrestrial conditions or in microgravity, to reduce electromagnetic stirring and shaping of the droplet. Under such conditions, the time-dependent behaviour of a point of the free surface is recorded. Then the signal is analysed considering the droplet as a harmonic damped oscillator. We use a spectral code, for fluid flow and free surface descriptions, to check the validity of this assumption for two cases. First when the motion inside the droplet is generated by its initial distortion only and second, when the droplet is located in a uniform magnetic field originating far from the droplet. It is found that some deviations exist which can lead to an overestimate of the value of viscosity.

Computational modeling of mold filling and related free-surface flows in shape casting: an overview of the challenges involved

Accurate representation of the coupled effects between turbulent fluid flow with a free surface, heat transfer, solidification, and mold deformation has been shown to be necessary for the realistic prediction of several defects in castings and also for determining the final crystalline structure. A core component of the computational modeling of casting processes involves mold filling, which is the most computationally intensive aspect of casting simulation at the continuum level. Considering the complex geometries involved in shape casting, the evolution of the free surface, gas entrapment, and the entrainment of oxide layers into the casting make this a very challenging task in every respect. Despite well over 30 years of effort in developing algorithms, this is by no means a closed subject. In this article, we will review the full range of computational methods used, from unstructured finite-element (FE) and finite-volume (FV) methods through fully structured and block-structured approaches utilizing the cut-cell family of techniques to capture the geometric complexity inherent in shape casting. This discussion will include the challenges of generating rapid solutions on high-performance parallel cluster technology and how mold filling links in with the full spectrum of physics involved in shape casting. Finally, some indications as to novel techniques emerging now that can address genuinely arbitrarily complex geometries are briefly outlined and their advantages and disadvantages are discussed.

On the application of variable frequency microwave technology for processing of individual surface mount components

Dual-section variable frequency microwave systems enable rapid, controllable heating of materials within an individual surface mount component in a chip-on=board assembly. The ability to process devices individually allows components with disparate processing requirements to be mounted on the same assembly. The temperature profile induced by the microwave system can be specifically tailored to the needs of the component, allowing optimisation and degree of cure whilst minimising thermomechanical stresses. This paper presents a review of dual-section microwave technology and its application to curing of thermosetting polymer materials in microelectronics applications. Curing processes using both conventional and microwave technologies are assessed and compared. Results indicate that dual-section microwave systems are able to cure individual surface mount packages in a significantly shorter time, at the expense of an increase in thermomechanical stresses and a greater variation in degree of cure.

Determining surface tension using DC magnetic levitation

The values of material physical properties are vital for the successful use of numerical simulations for electromagnetic processing of materials. The surface tension of materials can be determined from the experimental measurement of the surface oscillation frequency of liquid droplets. In order for this technique to be used, a positioning field is required that results in a modification to the oscillation frequency. A number of previous analytical models have been developed that mainly focus on electrically conducting droplets positioned using an A.C. electromagnetic field, but due to the turbulent flow resulting from the high electromagnetic fields required to balance gravity, reliable measurements have largely been limited to microgravity. In this work axisymmetric analytical and numerical models are developed, which allow the surface tension of a diamagnetic droplet positioned in a high DC magnetic field to be determined from the surface oscillations. In the case of D.C. levitation there is no internal electric currents with resulting Joule heating, Marangoni flow and other effects that introduce additional physics that complicates the measurement process. The analytical solution uses the linearised Navier-Stokes equations in the inviscid case. The body force from a DC field is potential, in contrast to the AC case, and it can be derived from Maxwell equations giving a solution for the magnetic field in the form of a series expansion of Legendre polynomials. The first few terms in this expansion represent a constant and gradient magnetic field valid close to the origin, which can be used to position the droplet. Initially the mathematical model is verified in microgravity conditions using a numerical model developed to solve the transient electromagnetics, fluid flow and thermodynamic equations. In the numerical model (as in experiment) the magnetic field is obtained using electrical current carrying coils, which provides the confinement force for a liquid droplet. The model incorporates free surface deformation to accurately model the oscillations that result from the interaction between the droplet and the non-uniform external magnetic field. A comparison is made between the analytical perturbation theory and the numerical pseudo spectral approximation solutions for small amplitude oscillations.

Microwave curing of thermosetting polymer materials in microelectronics applications

Thermosetting polymer materials are widely utilised in modern microelectronics packaging technology. These materials are used for a number of functions, such as for device bonding, for structural support applications and for physical protection of semiconductor dies. Typically, convection heating systems are used to raise the temperature of the materials to expedite the polymerisation process. The convection cure process has a number of drawbacks including process durations generally in excess of 1 hour and the requirement to heat the entire printed circuit board assembly, inducing thermomechanical stresses which effect device reliability. Microwave energy is able to raise the temperature of materials in a rapid, controlled manner. As the microwave energy penetrates into the polymer materials, the heating can be considered volumetric – i.e. the rate of heating is approximately constant throughout the material. This enables a maximal heating rate far greater than is available with convection oven systems which only raise the surface temperature of the polymer material and rely on thermal conductivity to transfer heat energy into the bulk. The high heating rate, combined with the ability to vary the operating power of the microwave system, enables the extremely rapid cure processes. Microwave curing of a commercially available encapsulation material has been studied experimentally and through use of numerical modelling techniques. The material assessed is Henkel EO-1080, a single component thermosetting epoxy. The producer has suggested three typical convection oven cure options for EO1080: 20 min at 150C or 90 min at 140C or 120 min at 110C. Rapid curing of materials of this type using advanced microwave systems, such as the FAMOBS system [1], is of great interest to microelectronics system manufacturers as it has the potential to reduce manufacturing costs, increase device reliability and enables new device designs. Experimental analysis has demonstrated that, in a realistic chip-on-board encapsulation scenario, the polymer material can be fully cured in approximately one minute. This corresponds to a reduction in cure time of approximately 95 percent relative to the convection oven process. Numerical assessment of the process [2] also suggests that cure times of approximately 70 seconds are feasible whilst indicating that the decrease in process duration comes at the expense of variation in degree of cure within the polymer.

A revised classification for direct tooth-colored restorative materials

Composite resins and glass-ionomer cements were introduced to dentistry in the 1960s and 1970s, respectively. Since then, there has been a series of modifications to both materials as well as the development other groups claiming intermediate characteristics between the two. The result is a confusion of materials leading to selection problems. While both materials are tooth-colored, there is a considerable difference in their properties, and it is important that each is used in the appropriate situation. Composite resin materials are esthetic and now show acceptable physical strength and wear resistance. However, they are hydrophobic, and therefore more difficult to handle in the oral environment, and cannot support ion migration. Also, the problems of gaining long-term adhesion to dentin have yet to be overcome. On the other hand, glass ionomers are water-based and therefore have the potential for ion migration, both inward and outward from the restoration, leading to a number of advantages. However, they lack the physical properties required for use in load-bearing areas. A logical classification designed to differentiate the materials was first published by McLean et al in 1994, but in the last 15 years, both types of material have undergone further research and modification. This paper is designed to bring the classification up to date so that the operator can make a suitable, evidence-based, choice when selecting a material for any given situation.

In-situ non-destructive ultrasonic rheology technique for monitoring different lead-free solder pastes for surface mount applications

This paper investigates the application of a non-destructive ultrasonic technique for characterising the rheological properties of solder paste through the use of through-mode microsecond ultrasonic pulses for evaluation of viscoelastic properties of lead-free solder paste containing different types of flux. Ultrasonic techniques offer a robust and reliable form of non-destructive testing of materials where access to the sample is restricted or when sample handling can interfere with the monitoring or analysis process due to externally incorporated changes to the material’s physical state or accidental contamination during the removal or testing process. Ultrasonic based techniques are increasingly used for quality control and production monitoring functions which requires evaluation of changes in material properties for a wide range of industrial applications such as cement paste quality, plastic/polymer extrusion process, dough and even sugar content in beverage drinks. In addition, ultrasound techniques are of great interest for their capability to take rapid measurements in systems which are optically opaque. The conventional industry approach for characterising the rheological properties of suspensions during processing/packaging stage is mainly through the use of viscometer and some through the use of rheometer. One of the potential limitations of viscometer and rheometer based measurements is that the collection and preparation of the solder paste samples can irreversibly alter the structure and flow behaviour of the sample. Hence the measurement may not represent the actual quality of the whole production batch. Secondly, rheological measurements and the interpretation of rheological data is a very technical and time consuming process, which requires professionally trained R&D personnel. The ultrasound technique being proposed provides simple, yet accurate and easy to use solution for the in-situ rheological characterisation of solder pastes which will benefit the materials suppliers (who formulate and produce solder pastes) and solder paste consumers (especially, contract electronics manufacturers). The results from the work show that the technique can be used by R&D personnel involved in paste formulation and manufacture to monitor the batch-to-batch quality and consistency.