Appendix B:

External VPP300

Individual Research Reports

This section presents individual reports on external projects supported by the Time Allocation Committee on the VPP300. The reports were prepared by the individual principal investigators in a standard format. In some cases several projects are combined into a single report. At the time of going to press reports had not been received for a small number of projects.

Robin Allan

Ab Initio Studies on the Tautomerism of Dioxo-Pyridazines and Their Anions as Novel Bioisosteres

David Bisset

The AGE Method for Direct Numerical Simulation of Turbulent Shear Flows

Hugh Blackburn

Finite Element Large Eddy Simulation

John Booker

Three-Dimensional Boundary Element Analysis of Ground Water Contamination by Landfill Leachate

John Bowie

Theoretical Studies of Negative Ions

Peter Daivis

Molecular Rheology of Freely Jointed Chain Model Polymer Melts

Lawrie Dunn

Structures of Biopolymers in the Pulp and Paper Industry

Chris Hamer

Study of Spin Lattice and Lattice Gauge Theory

Peter Harrowell

The Characteristic Length of Slow Dynamics in a Glass-Forming Binary Mixture

Anthony Haymet

Molecular Dynamics Simulations of Solutes in Liquid Water and at the Ice/water Interface

Peter Holloway

A Numerical Investigation of Tidally Forced Internal Waves in the Ocean

Won Kim

Ab initio Study of Low Energy States of Sodium Iodide(NaI)

Robert Leckey

Electronic Structure Calculations Using WIEN97: Fermi Surface of Metals and Alloys

John Middleton

Simon Petrie

Ab Initio Calculations on Highly Unsaturated Interstellar Molecules

Andrew Pitman

BASE simulations within the Global Soil Wetness Project

Andrew Rohl

Inhibition of Calcite Crystal Growth by HEDP and its Analogues - A Molecular Modelling Study

Richard Sadus

Molecular Simulation of the Phase Transitions

Martijn de Sterke

Self-written Waveguides in Bulk Photosensitive Materials

Robin Storer

Effect of Resistivity on Tokamak Eigenmodes

Mark Thompson

Simulations of Three-dimensional Forced Flows Over Long Flat Plates

Ellak I. Von Nagy-Felsobuki

Rovibrational Calculations of Bent Triatomic Helide Ions

Warren Wood

Sability Analysis of Solar Atmospheric Models

Clifford Woodward

Simulation of Nonuniform Polymer Fluids

Brian Yates

Theoretical Studies on the Mechanisms of Chemical Reactions