School of Physics and Astronomy

Professor Martin Dove

Martin

Professor of Condensed Matter and Materials Physics

Email: martin.dove@qmul.ac.uk
Telephone: 020 7882 3426
Room Number: G.O. Jones Building, Room 203

Research

Research Interests:

Research interests

My primary scientific interests are in disordered materials – crystalline or non-crystalline – and the way in which the atomic structure and dynamics over both long-range and short-range length scales affects material properties and behaviour.

I am particularly fascinated by network materials. These are materials which can be described as an infinite framework of linked groups of atoms that are strongly bound together. An example on which I have done a lot of work is silica, which exists in a number of different crystalline and amorphous phases. At ambient pressures the structures of all these phases can be described as infinite networks of corner-linked SiO4 tetrahedra, where the bonds within the tetrahedra are really quite stiff but with weak angular forces that define the relative orientations of two linked tetrahedra. With this difference between the strengths of internal and angular forces, the network is actually quite flexible in well-defined ways with regard to motions involving rotations of the tetrahedra, and this flexibility is directly responsible for the existence of displacive phase transitions and anomalous properties in some materials such as negative thermal expansion and becoming softer when compressed.

More recently I have become interested in framework materials where metal cations are linked by organic molecules. Actually silica is a special case of this, where the molecule is a single oxygen atom. The first step up is to have linkages between zinc cations mediated by cyanide ions, forming phases that are direct analogues of some of the silica phases. More complex molecular ions can lead to any number of new phases. For example, Zn(Im)2, where Im is the imidazolate ligand C3N2H2– forms many phases that include direct analogues of a number of zeolite phases.

Other significant interests, which actually are not so far removed from what I have just described, include radiation damage, orientationally disordered crystals, atomic dynamics of glasses, and atomic site order/disorder phase transitions.

Science of network flexibility

One of my most significant achievements is to push forward our understanding of the flexibility of network structures, as encapsulated in our Rigidi Unit Mode (RUM) model. We defined a RUM as a normal model of a material in which the polyhedra can move without distortionn. As such, a RUM will have a relatively low frequency, and can easily be associated with the structure deformation associated with a displacive phase transition. Because RUMs typically involve rotations of polyhedra, they will often act to reduce the volume of a material and hence are often associated with netative thermal expansion, particularly since their low frequency gives them a large ampltidue and hence significant impact.

One of our tools is a method to determine exactly the number of RUMs in a material and their wave vectors. We have also developed tools to quantify the extent of RUM motions in atomic configurations obtained from simulations.

Methods

I have always run a two-track approach, namely combining computer simulations with neutron and x-ray diffraction experiments.

Computer simulations

I use a wide range of simulation approaches, from lattice energy and lattice dynamics calculations through to molecular dynamics and Monte Carlo methods. My preference is to work with empirical representations of the forces between atoms rather than taking a purely quantum mechanical approach, because I prefer to work with large system sizes when possible, but increasingly I am using quantum mechanical approaches to parameterise the force models. For example, in our work on metal-organic structures this is absolutely essential, and works well.

One issue that I have developed a strong interest in is managing the outputs of simulations. With current computational capabilities we can now perform studies that involve hundreds of independent simulations, for example scanning across both temperature and pressure in molecular dynamics simulations. To tackle the problem of accurately extracting the key information from the many data files, we are using XML (specifically the Chemical Markup Language) to represent the data, and have developed tools to parse a large collection of XML files and extract tables of results quickly.

Neutron and x-ray scattering methods

I have long valued the information that can be obtained from scattering experiments, ranging from powder diffraction experiments to give information about the variation of crystal structure with changing external variables (temperature or pressure) through to inelastic scattering experiments that provide information on the atomic dynamics (such as phonons). Much of this work is now performed at the ISIS spallation neutron source.

One of my major interests is in the use of total scattering to provide information about structure on a local length scale. This involves measuring the diffraction pattern accurately (ie free from all background scattering) to very high values of the scattering vector Q, and performing the Fourier transform to obtain a quantity known as the Pair Distribution Function (PDF). Put simply, the PDF is a histogram of interatomic distances, and its value comes from the fact that it provides direct information about the structure on a local length scale and the fluctuations in this local structure. Using the Reverse Monte Carlo method we can build atomic models consistent with the total scattering and PDF data. For crystalline materials we also make explicit use of the information contained within the Bragg scattering, and we have developed the RMCProfile code for this work. We have also developed a module for the GULP lattice simulation code to compute the PDF taking proper account of the contribution of phonons to the breadths of peaks in the PDF.

Much of this work is carried out using the GEM diffractometer at ISIS, but we are developing an interest in total scattering from x-rays. We are members of the consortium developing the XPDF diffractometer at Diamond.

Other contributions have been the development of methods to perform diffraction at simultaneous high pressures and temperatures at ISIS, and I was one of the PI's on the project that developed the MERLIN spectometer. We have developed software to simulate the scattering from instruments such as MERLIN.

Other information

My publication list can be obtained here. This page includes links to papers that I am allowed to post on my own web site, and DOI or email links to the others.

My personal web site is available here. It is however slightly out of date with regard to my move from Cambridge to Queen Mary.

My calendar is available here.

Publications

  • Tabaee Damavandi P, Dove MT, Pickersgill RW (2017). A review of drug therapy for sporadic fatal insomnia.. nameOfConference
  • Gao M, Misquitta AJ, Yang C et al. (2017). Molecular dynamics study of CO2 absorption and desorption in zinc imidazolate frameworks. nameOfConference
  • beake EOR, tucker M, dove MT et al. (2016). Orientational disorder in adamantane and adamantanecarboxylic acid. nameOfConference
  • Dunstan MT, Maugeri SA, Liu W et al. (2016). In situ studies of materials for high temperature CO2 capture and storage.. nameOfConference
  • Dove MT, Fang H (2016). Negative thermal expansion and associated anomalous physical properties: review of the lattice dynamics theoretical foundation.. nameOfConference
  • Gao M, Misquitta AJ, Rimmer LHN et al. (2016). Molecular dynamics simulation study of various zeolitic imidazolate framework structures.. nameOfConference
  • Duncan HD, Dove MT, Keen DA et al. (2016). Local structure of the metal–organic perovskite dimethylammonium manganese( ii ) formate. nameOfConference
  • Rimmer LHN, Dove MT (2015). Simulation study of negative thermal expansion in yttrium tungstate Y2W3O12.. nameOfConference
  • Yang C, Brazhkin VV, Dove MT et al. (2015). Frenkel line and solubility maximum in supercritical fluids.. nameOfConference
  • Rimmer LHN, Dove MT, Goodwin AL et al. (2014). Acoustic phonons and negative thermal expansion in MOF-5.. nameOfConference
  • Palin EJ, Dove MT, Redfern SAT et al. (2014). Computer Simulations of Cations Order-Disorder in 2:1 Dioctahedral Phyllosilicates Using Cation-Exchange Potentials and Monte Carlo Methods. nameOfConference
  • Fang H, Dove MT, Refson K (2014). Ag-Ag dispersive interaction and physical properties of Ag3Co(CN)(6). nameOfConference
  • Rimmer LHN, Dove MT, Winkler B et al. (2014). Framework flexibility and the negative thermal expansion mechanism of copper(I) oxide Cu2O. nameOfConference
  • Fang H, Dove MT, Phillips AE (2014). Common origin of negative thermal expansion and other exotic properties in ceramic and hybrid materials. nameOfConference
  • Fang H, Dove MT (2014). A phenomenological expression to describe the temperature dependence of pressure-induced softening in negative thermal expansion materials.. nameOfConference
  • Zarkadoula E, Daraszewicz SL, Duffy DM et al. (2014). Electronic effects in high-energy radiation damage in iron.. nameOfConference
  • Chumakov AI, Monaco G, Fontana A et al. (2014). Role of disorder in the thermodynamics and atomic dynamics of glasses.. nameOfConference
  • Zarkadoula E, Devanathan R, Weber WJ et al. (2014). High-energy radiation damage in zirconia: Modeling results. nameOfConference
  • Funnell NP, Dove MT, Goodwin AL et al. (2013). Local structure correlations in plastic cyclohexane--a reverse Monte Carlo study.. nameOfConference
  • Dove MT, Rigg G (2013). RMCgui: a new interface for the workflow associated with running Reverse Monte Carlo simulations.. nameOfConference
  • Fang H, Phillips AE, Dove MT et al. (2013). Temperature-dependent pressure-induced softening in Zn(CN)(2). nameOfConference
  • Beake EOR, Dove MT, Phillips AE et al. (2013). Flexibility of zeolitic imidazolate framework structures studied by neutron total scattering and the reverse Monte Carlo method.. nameOfConference
  • Fang H, Dove MT, Rimmer LHN et al. (2013). Simulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN)$_2$. nameOfConference
  • Fang H, Dove MT (2013). Pressure-induced softening as a common feature of framework structures with negative thermal expansion. nameOfConference
  • Andritsos EI, Zarkadoula E, Phillips AE et al. (2013). The heat capacity of matter beyond the Dulong-Petit value.. nameOfConference
  • Zarkadoula E, Daraszewicz SL, Duffy DM et al. (2013). The nature of high-energy radiation damage in iron. nameOfConference
  • Zarkadoula E, Daraszewicz SL, Duffy DM et al. (2013). The nature of high-energy radiation damage in iron.. nameOfConference
  • Yang X, Dove MT, Bruin RP et al. (2013). An e-Science data infrastructure for simulations within Grid computing environment: methods, approaches and practice. nameOfConference
  • Chappell HF, Dove MT, Trachenko K et al. (2013). Structural changes in zirconolite under α-decay.. nameOfConference
  • Trachenko K, Zarkadoula E, Todorov IT et al. (2012). Modeling high-energy radiation damage in nuclear and fusion applications. nameOfConference
  • Dove MT (2011). The re-entrant phase transitions in crystalline malononitrile, CH2(CN)2: a neutron powder diffraction study.. nameOfConference
  • Keen DA, Goodwin AL, Tucker MG et al. (2011). Diffraction study of pressure-amorphized ZrW2O8 using in situ and recovered samples. nameOfConference
  • Chiang GT, White TOH, Dove MT et al. (2011). Geo-visualization Fortran library. nameOfConference
  • Keen DA, Dove MT, Evans JSO et al. (2010). The hydrogen-bonding transition and isotope-dependent negative thermal expansion in H3Co(CN)(6). nameOfConference
  • Yang XY, Bruin RP, Dove MT et al. (2010). A Service-Oriented Framework for Running Quantum Mechanical Simulations of Material Properties in a Grid Environment. nameOfConference
  • Reeder RJ, Goodwin AL, Michel M et al. (2010). Structure model of synthetic amorphous calcium carbonate. nameOfConference
  • Goodwin AL, Michel FM, Phillips BL et al. (2010). Nanoporous Structure and Medium-Range Order in Synthetic Amorphous Calcium Carbonate. nameOfConference
  • Yang XY, Bruin RP, Dove MT (2010). Developing an End-to-End Scientific Workflow A Case Study Using a Comprehensive Workflow Platform in e-Science. nameOfConference
  • Cope ER, Dove MT (2010). Evaluation of domain models for β-cristobalite from the pair distribution function.. nameOfConference
  • Cliffe MJ, Dove MT, Drabold DA et al. (2010). Structure determination of disordered materials from diffraction data.. nameOfConference
  • Bennett TD, Goodwin AL, Dove MT et al. (2010). Structure and properties of an amorphous metal-organic framework.. nameOfConference
  • Ortega-Castro J, Hernandez-Haro N, Dove MT et al. (2010). Density 7 functional theory and Monte Carlo study of octahedral cation ordering of Al/Fe/Mg cations in dioctahedral 2:1 phyllosilicates. nameOfConference
  • Dove MT (2010). Introduction to the theory of lattice dynamics. nameOfConference
  • Yang XY, Dove M, Bruin R (2010). User-centered Design Practice for Grid-enabled Simulation in e-Science. nameOfConference
  • Goodwin AL, Dove MT, Chippindale AM et al. (2009). Aperiodicity, structure, and dynamics in Ni(CN)(2). nameOfConference
  • Tang YZ, Chappell HF, Dove MT et al. (2009). Zinc incorporation into hydroxylapatite. nameOfConference
  • Walker AM, Bruin RP, Dove MT et al. (2009). Integrating computing, data and collaboration grids: the RMCS tool.. nameOfConference
  • White TOH, Bruin RP, Chiang G-T et al. (2009). Lessons in scientific data interoperability: XML and the eMinerals project.. nameOfConference
  • Frame I, Austen KF, Calleja M et al. (2009). New tools to support collaboration and virtual organizations.. nameOfConference
  • Salje EKH, Artacho E, Austen KF et al. (2009). eScience for molecular-scale simulations and the eMinerals project.. nameOfConference
  • Trachenko K, Brazhkin VV, Ferlat G et al. (2008). First-principles calculations of structural changes in B2O3 glass under pressure. nameOfConference
  • Bruin RP, White TOH, Walker AM et al. (2008). Job submission to grid computing environments. nameOfConference
  • Walker AM, Tyer RP, Bruin RP et al. (2008). The compressibility and high pressure structure of diopside from first principles simulation. nameOfConference
  • Goodwin AL, Keen DA, Tucker MG et al. (2008). Argentophilicity-dependent colossal thermal expansion in extended prussian blue analogues.. nameOfConference
  • Brazhkin VV, Katayama Y, Trachenko K et al. (2008). Nature of the structural transformations in B2O3 glass under high pressure.. nameOfConference
  • Conterio MJ, Goodwin AL, Tucker MG et al. (2008). Local structure in Ag-3[Co(CN)(6)]: colossal thermal expansion, rigid unit modes and argentophilic interactions. nameOfConference
  • Calleja M, Goodwin AL, Dove MT (2008). Origin of the colossal positive and negative thermal expansion in Ag-3[Co(CN)(6)]: an ab initio density functional theory study. nameOfConference
  • Goodwin AL, Calleja M, Conterio MJ et al. (2008). Colossal positive and negative thermal expansion in the framework material Ag3[Co(CN)6].. nameOfConference
  • Austen KF, White TOH, Marmier A et al. (2008). Electrostatic versus polarization effects in the adsorption of aromatic molecules of varied polarity on an insulating hydrophobic surface. nameOfConference
  • Goodwin AL, Redfern SAT, Dove MT et al. (2007). Ferroelectric nanoscale domains and the 905 K phase transition in SrSnO3: A neutron total-scattering study. nameOfConference
  • Tucker MG, Keen DA, Evans JSO et al. (2007). Local structure in ZrW2O8 from neutron total scattering. nameOfConference
  • Hui Q, Dove MT, Tucker MG et al. (2007). Neutron total scattering and reverse Monte Carlo study of cation ordering in Ca(x)Sr(1-x)TiO(3).. nameOfConference
  • Tucker MG, Keen DA, Dove MT et al. (2007). RMCProfile: reverse Monte Carlo for polycrystalline materials. nameOfConference
  • Dove MT, Pryde AKA, Heine V et al. (2007). Exotic distributions of rigid unit modes in the reciprocal spaces of framework aluminosilicates. nameOfConference
  • Bismayer U, Dove MT, Artacho E et al. (2007). Special issue in honour of the 60th birthday of Professor Ekhard Salje FRS. nameOfConference
  • Walker AM, Sullivan LA, Trachenko K et al. (2007). The origin of the compressibility anomaly in amorphous silica: a molecular dynamics study. nameOfConference
  • Trachenko K, Brazhkin VV, Tsiok OB et al. (2007). Logarithmic relaxation in radiation-amorphized zircon. nameOfConference
  • Cope ER, Dove MT (2007). Pair distribution functions calculated from interatomic potential models using the General Utility Lattice Program. nameOfConference
  • Keen DA, Goodwin AL, Tucker MG et al. (2007). Structural description of pressure-induced amorphization in ZrW2O8. nameOfConference
  • Trachenko K, Brazhkin VV, Tsiok OB et al. (2007). Pressure-induced structural transformation in radiation-amorphized zircon.. nameOfConference
  • Todorov IT, Allan NL, Purton JA et al. (2007). Use of massively parallel molecular dynamics simulations for radiation damage in pyrochlores. nameOfConference
  • Goodwin AL, Dove MT, Tucker MG et al. (2007). MnO spin-wave dispersion curves from neutron powder diffraction. nameOfConference
  • Hernandez-Laguna A, Escamilla-Roa E, Timon V et al. (2006). DFT study of the cation arrangements in the octahedral and tetrahedral sheets of dioctahedral 2 : 1 phyllosilicates. nameOfConference
  • Goodwin AL, Tucker MG, Cope ER et al. (2006). Dynamics from diffraction. nameOfConference
  • Bewley RI, Eccleston RS, McEwen KA et al. (2006). MERLIN, a new high count rate spectrometer at ISIS. nameOfConference
  • Dove MT, Sullivan LA, Walker AM et al. (2006). Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within the eMinerals escience project. nameOfConference
  • Trachenko K, Dove MT, Artacho E et al. (2006). Atomistic simulations of resistance to amorphization by radiation damage. nameOfConference
  • Todorov IT, Purton JA, Allan NL et al. (2006). Simulation of radiation damage in gadolinium pyrochlores. nameOfConference
  • Goodwin AL, Tucker MG, Dove MT et al. (2006). Magnetic structure of MnO at 10 K from total neutron scattering data.. nameOfConference
  • Goodwin AL, Tucker MG, Dove MT et al. (2006). Magnetic Structure of MnO at 10 K from Total Neutron Scattering Data. nameOfConference
  • Sutton SR, Caffee MW, Dove MT (2006). Synchrotron radiation, neutron, and mass spectrometry techniques at user facilities. nameOfConference
  • Goodwin AL, Wells SA, Dove MT (2006). Cation substitution and strain screening in framework structures: The role of rigid unit modes. nameOfConference
  • Chiang GT, Dove M, Ballard S et al. (2006). A grid enabled Monte Carlo Hyperspectral Synthetic Image Remote Sensing Model (GRID-MCHSIM) for coastal water quality algorithm. nameOfConference
  • White TOH, Tyer RP, Bruin RP et al. (2006). A lightweight, scriptable, web-based frontend to the SRB. nameOfConference
  • Walker AM, Dove MT, Sullivan LA et al. (2006). Anatomy of a grid-enabled molecular simulation study: the compressibility of amorphous silica. nameOfConference
  • White TOH, Murray-Rust P, Couch PA et al. (2006). Application and uses of CML within the eMinerals project. nameOfConference
  • Tyer RP, Couch PA, van Dam KK et al. (2006). Automatic metadata capture and grid computing. nameOfConference
  • Todorov IT, Smith W, Trachenko K et al. (2006). DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism. nameOfConference
  • He LG, Dove M, Hayes M et al. (2006). Developing lightweight application execution mechanisms in grids. nameOfConference
  • Bruin RP, White TOH, Walker AM et al. (2006). Job submission to grid computing environments. nameOfConference
  • Yang X, Dove MT, Hayes M et al. (2006). Survey of major tools and technologies for grid-enabled portal development. nameOfConference
  • Austen KF, White TOH, Bruin RP et al. (2006). Using eScience to calibrate our tools: parameterisation of quantum mechanical calculations with grid technologies. nameOfConference
  • Tucker MG, Goodwin AL, Dove MT et al. (2005). Negative thermal expansion in ZrW2O8: mechanisms, rigid unit modes, and neutron total scattering.. nameOfConference
  • Goodwin AL, Tucker MG, Cope ER et al. (2005). Model-independent extraction of dynamical information from powder diffraction data. nameOfConference
  • Bruin RP, Dove MT, Calleja M et al. (2005). Building and managing the eMinerals clusters: A case study in grid-enabled cluster operation.. nameOfConference
  • Dove MT, Swainson IP, Powell BM et al. (2005). Neutron powder diffraction study of the orientational order-disorder phase transition in calcite, CaCO3. nameOfConference
  • Stone HJ, Tucker MG, Meducin FM et al. (2005). Temperature measurement in a Paris-Edinburgh cell by neutron resonance spectroscopy. nameOfConference
  • Stone HJ, Tucker MG, Le Godec Y et al. (2005). Remote determination of sample temperature by neutron resonance spectroscopy. nameOfConference
  • Trachenko K, Pruneda JM, Artacho E et al. (2005). How the nature of the chemical bond governs resistance to amorphization by radiation damage. nameOfConference
  • Du Z, de Leeuw NH, Grau-Crespo R et al. (2005). A computational study of the the structures and stabilities effect of Li-K solid solutions on of layered silicate materials - an application of the use of Condor pools in molecular simulation. nameOfConference
  • Pruneda JM, le Polles L, Farnan I et al. (2005). Calculation of the effect of intrinsic point defects and volume swelling in the nuclear magnetic resonance spectra of ZrSiO4. nameOfConference
  • Calleja M, Bruin R, Tucker MG et al. (2005). Collaborative grid infrastructure for molecular simulations: The eMinerals minigrid as a prototype integrated compute and data grid. nameOfConference
  • Dove MT, de Leeuw NH (2005). Grid computing and molecular simulations: the vision of the eMinerals project. nameOfConference
  • Trachenko K, Dove MT, Salje EKH et al. (2005). Radiation damage in the bulk and at the surface. nameOfConference
  • Dove MT, Calleja M, Bruin R et al. (2005). The eMinerals collaboratory: tools and experience. nameOfConference
  • Chapman C, Wakelin J, Artacho E et al. (2005). Workflow issues in atomistic simulations. nameOfConference
  • Tucker MG, Keen DA, Dove MT et al. (2005). Refinement of the Si-O-Si bond angle distribution in vitreous silica. nameOfConference
  • Keen DA, Tucker MG, Dove MT (2005). Reverse Monte Carlo modelling of crystalline disorder. nameOfConference
  • Hui Q, Tucker MG, Dove MT et al. (2005). Total scattering and reverse Monte Carlo study of the 105 K displacive phase transition in strontium titanate. nameOfConference
  • Palin EJ, Dove MT, Welch MD et al. (2005). Computational investigation of Al/Si and Al/Mg ordering in aluminous tremolite amphiboles. nameOfConference
  • Lewis GJ, Hasan SM, Alexandrov VN et al. (2005). Multicast application sharing tool - Facilitating the eMinerals Virtual Organisation. nameOfConference
  • Trachenko K, Dove MT (2004). Local events and stretched-exponential relaxation in glasses. nameOfConference
  • Trachenko K, Pruneda M, Artacho E et al. (2004). Radiation damage effects in the perovskite CaTiO3 and resistance of materials to amorphization. nameOfConference
  • Trachenko K, Dove MT, Brazhkin V et al. (2004). Network rigidity and properties of SiO2 and GeO2 glasses under pressure.. nameOfConference
  • Richards K, Bithell M, Dove M et al. (2004). Discrete-element modelling: methods and applications in the environmental sciences.. nameOfConference
  • Goodwin AL, Tucker MG, Dove MT et al. (2004). Phonons from powder diffraction: a quantitative model-independent evaluation.. nameOfConference
  • Wells S, Dove M, Tucker M (2004). Reverse Monte Carlo with geometric analysis - RMC+GA. nameOfConference
  • Trachenko K, Dove MT, Geisler T et al. (2004). Radiation damage effects and percolation theory. nameOfConference
  • Meducin F, Redfern SAT, Le Godec Y et al. (2004). Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up 1600 K and 3.2 GPa. nameOfConference
  • Sainz-Diaz CI, Palin EJ, Hernandez-Laguna A et al. (2004). Effect of the tetrahedral charge on the order-disorder of the cation distribution in the octahedral sheet of smectites and illites by computational methods. nameOfConference
  • Pruneda JM, Trachenko KO, Artacho E et al. (2004). Effects of volume swelling in crystalline host phases for nuclear waste immobilization. nameOfConference
  • Redfern SAT, Stone H, Dove MT et al. (2004). In situ high-P/T behaviour of minerals by neutron scattering. nameOfConference
  • Craig MS, Warren MC, Dove MT et al. (2004). Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling. nameOfConference
  • Palin EJ, Dove MT, Hernandez-Laguna A et al. (2004). A computational investigation of the Al/Fe/Mg order-disorder behavior in the dioctahedral sheet of phyllosilicates. nameOfConference
  • Calleja M, Dove MT (2004). Calculating activation energies in diffusion processes using a Monte Carlo approach in a grid environment. nameOfConference
  • Palin EJ, Dove MT (2004). Investigation of Al/Si ordering in tetrahedral phyllosilicate sheets by Monte Carlo simulation. nameOfConference
  • Trachenko K, Dove MT, Pruneda M et al. (2004). Radiation-induced structural changes, percolation effects and resistance to amorphization by radiation damage. nameOfConference
  • Whittle KR, Ashbrook SE, Redfern SAT et al. (2004). Structural studies of hollandite-based radioactive waste forms. nameOfConference
  • Trachenko K, Dove MT, Brazhkin VV et al. (2003). Rigidity and logarithmic relaxation in network glasses. nameOfConference
  • Geisler T, Trachenko K, Rios S et al. (2003). Impact of self-irradiation damage on the aqueous durability of zircon (ZrSiO4): implications for its suitability as a nuclear waste form. nameOfConference
  • Trachenko K, Dove MT, Salje EKH (2003). Reply to comment on 'large swelling and percolation in irradiated zircon'. nameOfConference
  • Palin EJ, Guiton BS, Craig MS et al. (2003). Computer simulation of Al-Mg ordering in glaucophane and a comparison with infrared spectroscopy. nameOfConference
  • Le Godec Y, Dove MT, Redfern SAT et al. (2003). Recent developments using the Paris-Edinburgh cell for neutron diffraction at high pressure and high temperature and some applications. nameOfConference
  • Archer TD, Birse SEA, Dove MT et al. (2003). An interatomic potential model for carbonates allowing for polarization effects. nameOfConference
  • Swainson IP, Dove MT, Palmer DC (2003). Infrared and Raman spectroscopy studies of the alpha-beta phase transition in cristobalite. nameOfConference
  • Sainz-Diaz CI, Palin EJ, Dove MT et al. (2003). Monte Carlo simulations of ordering of Al, Fe, and Mg cations in the octahedral sheet of smectites and illites. nameOfConference
  • Sainz-Diaz CI, Palin EJ, Hernandez-Laguna A et al. (2003). Octahedral cation ordering of illite and smectite. Theoretical exchange potential determination and Monte Carlo simulations. nameOfConference
  • Palin EJ, Dove MT, Redfern SAT et al. (2003). Computational study of tetrahedral Al-Si and octahedral Al-Mg ordering in phengite. nameOfConference
  • Trachenko K, Dove MT (2003). Intermediate state in pressurized silica glass: Reversibility window analogue. nameOfConference
  • Calleja M, Dove MT, Salje EKH (2003). Trapping of oxygen vacancies on twin walls of CaTiO3: a computer simulation study. nameOfConference
  • Trachenko K, Dove MT (2003). Compressibility, kinetics, and phase transition in pressurized amorphous silica. nameOfConference
  • Trachenko K, Dove MT, Salje EKH (2003). Large swelling and percolation in irradiated zircon. nameOfConference
  • Haines J, Cambon O, Keen DA et al. (2002). Structural disorder and loss of piezoelectric properties in alpha-quartz at high temperature. nameOfConference
  • Trachenko K, Dove MT (2002). Densification of silica glass under pressure. nameOfConference
  • Palin EJ, Trachenko KO, Dove MT (2002). Computer simulation study of low-energy excitations of silicate glasses. nameOfConference
  • Wells SA, Dove MT, Tucker MG et al. (2002). Real-space rigid-unit-mode analysis of dynamic disorder in quartz, cristobalite and amorphous silica. nameOfConference
  • Wells SA, Dove MT, Tucker MG (2002). Finding best-fit polyhedral rotations with geometric algebra. nameOfConference
  • Trachenko K, Dove MT, Salje EKH (2002). Erratum: Publisher's note: Structural changes in zircon under α-decay irradiation (Physical Review B - Condensed Matter and Materials Physics (2002) 65 (180102)). nameOfConference
  • Trachenko K, Dove MT, Salje EKH (2002). Structural changes in zircon under alpha-decay irradiation. nameOfConference
  • Trachenko K, Dove MT, Salje EKH (2002). Structural changes in zircon under alpha-decay irradiation (vol B 65, art no 180102, 2002). nameOfConference
  • Dove MT (2002). An introduction to the use of neutron scattering methods in mineral sciences. nameOfConference
  • Dove MT, Tucker MG, Keen DA (2002). Neutron total scattering method: simultaneous determination of long-range and short-range order in disordered materials. nameOfConference
  • Trachenko K, Dove MT, Heine V (2002). Origin of the T1+alpha dependence of the heat capacity of glasses at low temperature. nameOfConference
  • Trachenko K, Dove MT (2002). Floppy modes in silica glass under pressure. nameOfConference
  • Tucker MG, Dove MT, Keen DA (2002). Total scattering and reverse Monte Carlo modelling of disordered crystalline materials. nameOfConference
  • Trachenko K, Dove MT, Salje EKH (2001). Atomistic modelling of radiation damage in zircon. nameOfConference
  • Tucker MG, Dove MT, Keen DA (2001). MCGRtof: Monte Carlo G(r) with resolution corrections for time-of-flight neutron diffractometers. nameOfConference
  • Le Godec Y, Dove MT, Francis DJ et al. (2001). Neutron diffraction at simultaneous high temperatures and pressures, with measurement of temperature by neutron radiography. nameOfConference
  • Trachenko K, Dove MT, Heine V (2001). Simulation of two-level tunneling states and floppy modes in silica glass. nameOfConference
  • Calleja M, Dove MT, Salje EKH (2001). Anisotropic ionic transport in quartz: the effect of twin boundaries. nameOfConference
  • Tucker MG, Dove MT, Keen DA (2001). Application of the reverse Monte Carlo method to crystalline materials. nameOfConference
  • Palin EJ, Dove MT, Redfern SAT et al. (2001). Computational study of tetrahedral Al-Si ordering in muscovite. nameOfConference
  • Tucker MG, Keen DA, Dove MT (2001). A detailed structural characterization of quartz on heating through the alpha-beta phase transition. nameOfConference
  • Sainz-Diaz CI, Hernandez-Laguna A, Dove MT (2001). Theoretical modelling of cis-vacant and trans-vacant configurations in the octahedral sheet of illites and smectites. nameOfConference
  • Bosenick A, Dove MT, Myers ER et al. (2001). Computational methods for the study of energies of cation distributions: applications to cation-ordering phase transitions and solid solutions. nameOfConference
  • Meyer HW, Marion S, Sondergeld P et al. (2001). Displacive components of the low-temperature phase transitions in lawsonite. nameOfConference
  • Warren MC, Dove MT, Myers ER et al. (2001). Monte Carlo methods for the study of cation ordering in minerals. nameOfConference
  • Bosenick A, Dove MT, Heine V et al. (2001). Scaling of thermodynamic mixing properties in garnet solid solutions. nameOfConference
  • Trachenko KO, Dove MT, Salje EKH (2001). Atomistic modelling of radiation damage in zircon. nameOfConference
  • Sainz-Diaz CI, Hernandez-Laguna A, Dove MT (2001). Modeling of dioctahedral 2 : 1 phyllosilicates by means of transferable empirical potentials. nameOfConference
  • Tucker MG, Squires MP, Dove MT et al. (2001). Dynamic structural disorder in cristobalite: neutron total scattering measurement and reverse Monte Carlo modelling. nameOfConference
  • Le Godec Y, Dove MT, Redfern SAT et al. (2001). A new high P-T cell for neutron diffraction up to 7 GPa and 2000 K with measurement of temperature by neutron radiography. nameOfConference
  • Tucker MG, Dove MT, Keen DA (2000). Simultaneous analysis of changes in long-range and short-range structural order at the displacive phase transition in quartz. nameOfConference
  • Lee WT, Dove MT, Salje EKH (2000). Surface relaxations in hydroxyapatite. nameOfConference
  • Withers RL, Tabira Y, Valgoma JA et al. (2000). The inherent displacive flexibility of the hexacelsian tetrahedral framework and its relationship to polymorphism in Ba-hexacelsian. nameOfConference
  • Trachenko KO, Dove MT, Harris MJ et al. (2000). Dynamics of silica glass: two-level tunnelling states and low-energy floppy modes. nameOfConference
  • Tucker MG, Dove MT, Keen DA (2000). Direct measurement of the thermal expansion of the Si-O bond by neutron total scattering. nameOfConference
  • Dove MT, Hammonds KD, Harris MJ et al. (2000). Amorphous silica from the Rigid Unit Mode approach. nameOfConference
  • Dove MT, Craig MS, Keen DA et al. (2000). Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2. nameOfConference
  • Harris MJ, Dove MT, Parker JM (2000). Floppy modes and the Boson peak in crystalline and amorphous silicates: an inelastic neutron scattering study. nameOfConference
  • Trachenko K, Dove MT, Salje E (2000). Modelling the percolation-type transition in radiation damage. nameOfConference
  • Bosenick A, Dove MT, Geiger CA (2000). Simulation studies on the pyrope-grossular garnet solid solution. nameOfConference
  • Farnan I, Dove MT (2000). Structure and dynamics of silicate glasses and melts. nameOfConference
  • Keen DA, Dove MT (2000). Total scattering studies of silica polymorphs: similarities in glass and disordered crystalline local structure. nameOfConference
  • Warren MC, Dove MT, Redfern SAT (2000). Disordering of MgAl2O4 spinel from first principles. nameOfConference
  • Dove MT, Pryde AKA, Keen DA (2000). Phase transitions in tridymite studied using 'Rigid Unit Mode' theory, Reverse Monte Carlo methods and molecular dynamics simulations. nameOfConference
  • Hayward SA, Pryde AKA, de Dombal RF et al. (2000). Rigid Unit Modes in disordered nepheline: a study of a displacive incommensurate phase transition. nameOfConference
  • Warren MC, Dove MT, Redfern SAT (2000). Ab initio simulations of cation ordering in oxides: application to spinel. nameOfConference
  • Dove MT, Bosenick A, Myers ER et al. (2000). Modelling in relation to cation ordering. nameOfConference
  • Dove MT, Trachenko KO, Tucker MG et al. (2000). Rigid unit modes in framework structures: Theory, experiment and applications. nameOfConference
  • Keen DA, Dove MT (1999). Local structures of amorphous and crystalline phases of silica, SiO2, by neutron total scattering. nameOfConference
  • Lee WT, Salje EKH, Dove MT (1999). Effect of surface relaxations on the equilibrium growth morphology of crystals: platelet formation. nameOfConference
  • Heine V, Welche PRL, Dove MT (1999). Geometrical origin and theory of negative thermal expansion in framework structures. nameOfConference
  • Gambhir M, Dove MT, Heine V (1999). Rigid unit modes and dynamic disorder: SiO2 cristobalite and quartz. nameOfConference
  • Dove MT, Gambhir M, Heine V (1999). Anatomy of a structural phase transition: theoretical analysis of the displacive phase transition in quartz and other silicates. nameOfConference
  • Harrison RJ, Dove MT, Knight KS et al. (1999). In-situ neutron diffraction study of non-convergent cation ordering in the (Fe3O4)(1-x)(MgAl2O4)(x) spinel solid solution. nameOfConference
  • Harris MJ, Bennington SM, Dove MT et al. (1999). On the wave vector dependence of the Boson peak in silicate glasses and crystals. nameOfConference
  • Dove MT, Keen DA (1999). Atomic structure of disordered materials. nameOfConference
  • Salje EKH, Dove MT, Tsatskis I et al. (1999). Fluctuations and some strain related interaction mechanisms in structural phase transitions. nameOfConference
  • Dove MT (1999). Introduction to the theory of displacive phase transitions. nameOfConference
  • Dove MT (1999). Order/disorder phenomena in minerals: Ordering phase transitions and solid solutions. nameOfConference
  • Pryde AKA, Dove MT (1998). On the sequence of phase transitions in tridymite. nameOfConference
  • Welche PRL, Heine V, Dove MT (1998). Negative thermal expansion in beta-quartz. nameOfConference
  • Trachenko K, Dove MT, Hammonds KD et al. (1998). Low energy dynamics and tunneling states in silica glass. nameOfConference
  • Pryde AKA, Dove MT, Heine V (1998). Simulation studies of ZrW2O8 at high pressure. nameOfConference
  • Harris MJ, Hagen ME, Dove MT et al. (1998). Inelastic neutron scattering, phonon softening, and the phase transition in sodium nitrate, NaNO3. nameOfConference
  • Harris MJ, Dove MT, Swainson IP et al. (1998). Anomalous dynamical effects in calcite CaCO3. nameOfConference
  • Myers ER, Heine V, Dove MT (1998). Thermodynamics of Al/Al avoidance in the ordering of Al/Si tetrahedral framework structures. nameOfConference
  • Hammonds KD, Bosenick A, Dove MT et al. (1998). Rigid unit modes in crystal structures with octahedrally coordinated atoms. nameOfConference
  • Hammonds KD, Heine V, Dove MT (1998). Rigid-unit modes and the quantitative determination of the flexibility possessed by zeolite frameworks. nameOfConference
  • Carpenter MA, Salje EKH, Graeme-Barber A et al. (1998). Calibration of excess thermodynamic properties and elastic constant variations associated with the alpha <->beta phase transition in quartz. nameOfConference
  • Dove MT, Heine V, Hammonds KD et al. (1998). Short-range disorder and long-range order: Implications of the "Rigid Unit Mode" picture. nameOfConference
  • Swainson IP, Dove MT, Harris MJ (1997). The phase transitions in calcite and sodium nitrate. nameOfConference
  • Dove MT (1997). The use of Si-29 MAS-NMR and Monte Carlo methods in the study of Al/Si ordering in silicates. nameOfConference
  • Salje EKH, Rehmann S, Pobell F et al. (1997). Crystal structure and paramagnetic behaviour of epsilon-WO3-x. nameOfConference
  • Hammonds KD, Deng H, Heine V et al. (1997). How floppy modes give rise to adsorption sites in zeolites. nameOfConference
  • Dove MT, Keen DA, Hannon AC et al. (1997). Direct measurement of the Si-O bond length and orientational disorder in the high-temperature phase of cristobalite. nameOfConference
  • Payne SJ, Harris MJ, Hagen ME et al. (1997). A neutron diffraction study of the order-disorder phase transition in sodium nitrate. nameOfConference
  • Dove MT (1997). Theory of displacive phase transitions in minerals. nameOfConference
  • Dove MT, Harris MJ, Hannon AC et al. (1997). Floppy modes in crystalline and amorphous silicates. nameOfConference
  • Gambhir M, Heine V, Dove MT (1997). A one-parameter model of a rigid-unit structure. nameOfConference
  • Dove MT (1997). Approaches to modelling the behaviour of ceramics and minerals. nameOfConference
  • Heine V, Dove MT, DeVita A et al. (1997). Computational studies of Si/Al ordering in aluminosilicate tetrahedral framework structures. nameOfConference
  • Hammonds KD, Heine V, Dove MT (1997). Insights into zeolite behaviour from the rigid unit mode model. nameOfConference
  • Dove MT, Redfern SAT (1997). Lattice simulation studies of the ferroelastic phase transitions in (Na,K)AlSi3O8 and(Sr,Ca)Al2Si2O8 feldspar solid solutions. nameOfConference
  • Pryde AKA, Hammonds KD, Dove MT et al. (1997). Rigid unit modes and the negative thermal expansion in ZrW2O8. nameOfConference
  • Dove MT (1997). Silicates and soft modes. nameOfConference
  • Redfern SAT, Dove MT, Wood DRR (1997). Static lattice simulation of feldspar solid solutions: Ferroelastic instabilities and order/disorder. nameOfConference
  • Palmer DC, Dove MT, Ibberson RM et al. (1997). Structural behavior, crystal chemistry, and phase transitions in substituted leucite: High-resolution neutron powder diffraction studies. nameOfConference
  • Pryde AKA, Hammonds KD, Dove MT et al. (1996). Origin of the negative thermal expansion in ZrW2O8 and ZrV2O7. nameOfConference
  • Harris MJ, Dove MT, Godfrey KW (1996). A single-crystal neutron scattering study of lattice melting in ferroelastic Na2CO3. nameOfConference
  • Hammonds KD, Dove MT, Giddy AP et al. (1996). Rigid-unit phonon modes and structural phase transitions in framework silicates. nameOfConference
  • Line CMB, Dove MT, Knight KS et al. (1996). The low-temperature behaviour of analcime .1. High-resolution neutron powder diffraction. nameOfConference
  • Thayaparam S, Heine V, Dove MT et al. (1996). A computational study of Al/Si ordering in cordierite. nameOfConference
  • Dove MT, Thayaparam S, Heine V et al. (1996). The phenomenon of low Al-Si ordering temperatures in aluminosilicate framework structures. nameOfConference
  • Dove MT, Hammonds KD, Heine V et al. (1996). Rigid unit modes in the high-temperature phase of SiO2 tridymite: Calculations and electron diffraction. nameOfConference
  • Dove MT, Gambhir M, Hammonds KD et al. (1996). Distortions of framework structures. nameOfConference
  • Dove MT, Heine V (1996). The use of Monte Carlo methods to determine the distribution of Al and Si cations in framework aluminosilicates from Si-29 MAS NMR data. nameOfConference
  • Dove MT, Heine V, Hammonds KD (1995). Rigid unit modes in framework silicates. nameOfConference
  • SWAINSON IP, DOVE MT, HARRIS MJ (1995). NEUTRON POWDER DIFFRACTION STUDY OF THE FERROELASTIC PHASE-TRANSITION AND LATTICE MELTING IN SODIUM-CARBONATE, NA2CO3. nameOfConference
  • HARRIS MJ, DOVE MT, GODFREY KW (1995). OBSERVATION OF LATTICE MELTING IN A SINGLE-CRYSTAL - THE FERROELASTIC PHASE-TRANSITION IN NA2CO3. nameOfConference
  • SWAINSON IP, DOVE MT (1995). MOLECULAR-DYNAMICS SIMULATION OF ALPHA-CRISTOBALITE AND BETA-CRISTOBALITE. nameOfConference
  • SWAINSON IP, DOVE MT (1995). ON THE THERMAL-EXPANSION OF BETA-CRISTOBALITE. nameOfConference
  • HARRIS MJ, DOVE MT (1995). LATTICE MELTING AT STRUCTURAL PHASE-TRANSITIONS. nameOfConference
  • BROWN RJC, LYNDENBELL RM, MCDONALD IR et al. (1994). CRYSTALLINE POTASSIUM PERRHENATE - A STUDY USING MOLECULAR-DYNAMICS AND LATTICE-DYNAMICS. nameOfConference
  • HAMMONDS KD, DOVE MT, GIDDY AP et al. (1994). CRUSH - A FORTRAN PROGRAM FOR THE ANALYSIS OF THE RIGID-UNIT MODE SPECTRUM OF A FRAMEWORK STRUCTURE. nameOfConference
  • LINE CMB, WINKLER B, DOVE MT (1994). QUASI-ELASTIC INCOHERENT NEUTRON-SCATTERING STUDY OF THE ROTATIONAL-DYNAMICS OF THE WATER-MOLECULES IN ANALCIME. nameOfConference
  • SOLLICH P, HEINE V, DOVE MT (1994). THE GINZBURG INTERVAL IN SOFT-MODE PHASE-TRANSITIONS - CONSEQUENCES OF THE RIGID UNIT MODE PICTURE. nameOfConference
  • THAYAPARAM S, DOVE MT, HEINE V (1994). A COMPUTER-SIMULATION STUDY OF AL/SI ORDERING IN GEHLENITE AND THE PARADOX OF THE LOW TRANSITION-TEMPERATURE. nameOfConference
  • SWAINSON IP, DOVE MT (1993). 1ST-PRINCIPLES STUDIES ON STRUCTURAL-PROPERTIES OF BETA-CRISTOBALITE. nameOfConference
  • HARRIS MJ, COWLEY RA, SWAINSON IP et al. (1993). OBSERVATION OF LATTICE MELTING AT THE FERROELASTIC PHASE-TRANSITION IN NA2CO3. nameOfConference
  • GIDDY AP, DOVE MT, PAWLEY GS et al. (1993). THE DETERMINATION OF RIGID-UNIT MODES AS POTENTIAL SOFT MODES FOR DISPLACIVE PHASE-TRANSITIONS IN FRAMEWORK CRYSTAL-STRUCTURES. nameOfConference
  • SWAINSON IP, DOVE MT (1993). LOW-FREQUENCY FLOPPY MODES IN BETA-CRISTOBALITE. nameOfConference
  • DOVE MT, COOL T, PALMER DC et al. (1993). ON THE ROLE OF AL-SI ORDERING IN THE CUBIC-TETRAGONAL PHASE-TRANSITION OF LEUCITE. nameOfConference
  • DOVE MT, GIDDY AP, HEINE V (1993). RIGID UNIT MODE MODEL OF DISPLACIVE PHASE-TRANSITIONS IN FRAMEWORK SILICATES. nameOfConference
  • SWAINSON IP, DOVE MT, SCHMAHL WW et al. (1992). NEUTRON POWDER DIFFRACTION STUDY OF THE AKERMANITE-GEHLENITE SOLID-SOLUTION SERIES. nameOfConference
  • HAGEN M, DOVE MT, HARRIS MJ et al. (1992). ORIENTATIONAL ORDER-DISORDER PHASE-TRANSITION IN CALCITE. nameOfConference
  • DOVE MT, HAGEN ME, HARRIS MJ et al. (1992). ANOMALOUS INELASTIC NEUTRON-SCATTERING FROM CALCITE. nameOfConference
  • DOVE MT, WINKLER B, LESLIE M et al. (1992). A NEW INTERATOMIC POTENTIAL MODEL FOR CALCITE - APPLICATIONS TO LATTICE-DYNAMICS STUDIES, PHASE-TRANSITION, AND ISOTOPE FRACTIONATION. nameOfConference
  • WINKLER B, DOVE MT (1992). THERMODYNAMIC PROPERTIES OF MGSIO3 PEROVSKITE DERIVED FROM LARGE-SCALE MOLECULAR-DYNAMICS SIMULATIONS. nameOfConference
  • SALJE EKH, RIDGWELL A, GUTTLER B et al. (1992). ON THE DISPLACIVE CHARACTER OF THE PHASE-TRANSITION IN QUARTZ - A HARD-MODE SPECTROSCOPY STUDY. nameOfConference
  • SCHMAHL WW, SWAINSON IP, DOVE MT et al. (1992). LANDAU FREE-ENERGY AND ORDER PARAMETER BEHAVIOR OF THE ALPHA/BETA PHASE-TRANSITION IN CRISTOBALITE. nameOfConference
  • HEINE V, CHEN X, DATTAGUPTA S et al. (1992). LANDAU THEORY REVISITED. nameOfConference
  • DOVE MT, GIDDY AP, HEINE V (1992). ON THE APPLICATION OF MEAN-FIELD AND LANDAU THEORY TO DISPLACIVE PHASE-TRANSITIONS. nameOfConference
  • WINKLER B, DOVE MT, LESLIE M (1991). STATIC LATTICE ENERGY MINIMIZATION AND LATTICE-DYNAMICS CALCULATIONS ON ALUMINOSILICATE MINERALS. nameOfConference
  • WINKLER B, DOVE MT, SALJE EKH et al. (1991). PHONON STABILIZED POLYTYPISM IN PBI2 - INSITU RAMAN-SPECTROSCOPY AND TRANSFERABLE CORE SHELL-MODEL CALCULATIONS. nameOfConference
  • TAUTZ FS, HEINE V, DOVE MT et al. (1991). RIGID UNIT MODES IN THE MOLECULAR-DYNAMICS SIMULATION OF QUARTZ AND THE INCOMMENSURATE PHASE-TRANSITION. nameOfConference
  • DOVE MT (1990). SPONTANEOUS STRAIN ENERGIES ASSOCIATED WITH ORIENTATIONAL ORDER-DISORDER PHASE-TRANSITIONS. nameOfConference
  • NORMAND BGA, GIDDY AP, DOVE MT et al. (1990). BIFURCATION BEHAVIOR IN STRUCTURAL PHASE-TRANSITIONS WITH MULTIWELL POTENTIALS. nameOfConference
  • GIDDY AP, DOVE MT, HEINE V (1990). THE NONANALYTIC NATURE OF LANDAU FREE-ENERGIES. nameOfConference
  • GIDDY AP, DOVE MT, HEINE V (1989). WHAT DO LANDAU FREE-ENERGIES REALLY LOOK LIKE FOR STRUCTURAL PHASE-TRANSITIONS. nameOfConference
  • DOVE MT (1989). ON THE COMPUTER MODELING OF DIOPSIDE - TOWARD A TRANSFERABLE POTENTIAL FOR SILICATE MINERALS. nameOfConference
  • DOVE MT, POWELL BM, PAWLEY GS et al. (1989). INELASTIC NEUTRON-SCATTERING DETERMINATION OF PHONON-DISPERSION CURVES IN THE MOLECULAR-CRYSTAL SYM-C6F3CL3. nameOfConference
  • DOVE MT, POWELL BM (1989). NEUTRON-DIFFRACTION STUDY OF THE TRICRITICAL ORIENTATIONAL ORDER-DISORDER PHASE-TRANSITION IN CALCITE AT 1260-K. nameOfConference
  • DOVE MT, POWELL BM, PAWLEY GS et al. (1988). MONOCLINIC PHASE OF SF6 AND THE ORIENTATIONAL ORDERING TRANSITION. nameOfConference
  • DOVE MT (1988). THE ELASTIC-CONSTANTS OF THE DISORDERED PHASE OF SF6 - A COMPUTER-SIMULATION CALCULATION. nameOfConference
  • POWELL BM, DOVE MT, PAWLEY GS et al. (1987). ORIENTATIONAL ORDERING AND THE LOW-TEMPERATURE STRUCTURE OF SF6. nameOfConference
  • DOVE MT, LYNDENBELL RM (1986). A MODEL OF THE PARA-ELECTRIC PHASE OF THIOUREA. nameOfConference
  • DOVE MT (1986). A SIMULATION STUDY OF THE DISORDERED PHASE OF CBR4 .1. SINGLE-PARTICLE PROPERTIES. nameOfConference
  • DOVE MT, LYNDENBELL RM (1986). A SIMULATION STUDY OF THE DISORDERED PHASE OF CBR4 .2. COLLECTIVE PROPERTIES AND ROTATION TRANSLATION COUPLING. nameOfConference
  • DOVE MT, FINCHAM D, HUBBARD RE (1986). DYNAMICS OF ORIENTATIONALLY DISORDERED CRYSTALS. nameOfConference
  • DOVE MT, PAWLEY GS, DOLLING G et al. (1986). COLLECTIVE EXCITATIONS IN AN ORIENTATIONALLY FRUSTRATED SOLID - NEUTRON-SCATTERING AND COMPUTER-SIMULATION STUDIES OF SF6. nameOfConference
  • DOVE MT, EWEN PJS (1985). A RAMAN-SCATTERING STUDY OF THE PRESSURE-INDUCED PHASE-TRANSITION IN S-TRIAZINE. nameOfConference
  • DOVE M, FINCHAM D, HUBBARD R (1985). DYNAMICS OF PLASTIC CRYSTALS. nameOfConference
  • PAWLEY GS, BRASS AM, DOVE MT et al. (1985). MOLECULAR-DYNAMICS SIMULATIONS ON A PARALLEL COMPUTER, PLASTIC CRYSTALS AND RELATED SYSTEMS. nameOfConference
  • PAWLEY GS, DOVE MT (1985). QUATERNION-BASED REORIENTATION CONDITIONS FOR MOLECULAR-DYNAMICS ANALYSES. nameOfConference
  • MITCHELL PW, DOVE MT (1985). SHAMGAR OXGOAD - A NEW APPROACH TO THE PROBLEM OF RESOLUTION CORRECTIONS FOR TRIPLE-AXIS NEUTRON INELASTIC-SCATTERING DATA USING PARALLEL PROCESSORS. nameOfConference
  • DOVE MT, PAWLEY GS (1984). A MOLECULAR-DYNAMICS SIMULATION STUDY OF THE ORIENTATIONALLY DISORDERED PHASE OF SULFUR-HEXAFLUORIDE. nameOfConference
  • DOVE MT, PAWLEY GS (1983). A MOLECULAR-DYNAMICS SIMULATION STUDY OF THE PLASTIC CRYSTALLINE PHASE OF SULFUR-HEXAFLUORIDE. nameOfConference
  • DOVE MT, HEILMANN IU, KJEMS JK et al. (1983). A NEUTRON-SCATTERING STUDY OF PHONONS IN PER-DEUTERATED S-TRIAZINE. nameOfConference
  • RAE AIM, DOVE MT (1983). A NEW THEORETICAL-MODEL FOR THE RE-ENTRANT PHASE-TRANSITIONS IN MALONONITRILE. nameOfConference
  • PAWLEY GS, DOVE MT (1983). MOLECULAR-DYNAMICS ON A PARALLEL COMPUTER. nameOfConference
  • EWEN PJS, DOVE MT (1983). RAMAN-SCATTERING STUDY OF THE PHASE-TRANSITION IN S-TRIAZINE. nameOfConference
  • PAWLEY GS, DOVE MT (1983). THE ONE-DIMENSIONAL PLASTIC PHASE OF SF6 - A SIMULATION. nameOfConference
  • DOVE MT, FARELLY G, RAE AIM et al. (1983). THE RE-ENTRANT PHASE-TRANSITIONS IN MALONONITRILE - SPECIFIC-HEAT CAPACITY MEASUREMENTS. nameOfConference
  • DOVE MT, RAE AIM (1980). STRUCTURAL PHASE-TRANSITIONS IN MALONONITRILE. nameOfConference