MTDATA – References from NPL

The Fe-Ni system: thermodynamic modelling assisted by atomistic calculations
Gabriele Cacciamani; Alan Dinsdale; Mauro Palumbo; Alain Pasturel, Intermetallics, 2010, 18, 1148-1162

Dynamic delivery
J A Gisby, F Hayes, A T Dinsdale, R H Davies, J A J Robinson, Materials World, 2010, March, 18-20

The Comparison of MTDATA with the Melting/Freezing Point Curves of ITS-90 Metal Fixed Points
D. I. Head, H. Davies, J. Gray, P. Quested, Int. J. Thermophys., 2008, 29, 1796-1807

Thermodynamics and Fluidity Problems in Nickel Smelting
P Taskinen, J Pihlasalo, J Gisby CALPHAD XXVII, Saariselkä, Finland, June 15-20, 2008.

The freezing behaviour of high purity elements for realising the international temperature scale
H. Davies, J. Gray, P. Quested, D. Head, J. Pearce and M. de Podesta, Proceedings of the 5th Decennial International Conference on Solidification Processing, Sheffield, July 2007

Atlas of Phase Diagrams for Lead-Free Soldering
A T Dinsdale, A Watson, A Kroupa, J Vrestal, A Zemanova and J Vizdal European Report, COST531, "Lead-Free Solders Volume 1" ISBN 978-80-86292-28-1, 2008

Requirements for Thermochemical Data in the Lighting Community
R. Hugh Davies, Alan T. Dinsdale, Torsten Markus, Stuart A. Mucklejohn and Georges Zissis Z. Naturforsch. 63a, 423-434 (2008)

Modelling cements in an aqueous environment at elevated temperatures,
J A Gisby, R H Davies, A T Dinsdale, M Tyrer, C Walker in SGTE Casbook: Thermodynamics at work, 2nd ed. 2008, Woodhead Publishing Ltd.

Thermodynamic modelling of cements intended for environmentally sensitive applications
J Gisby, H Davies, M Tyrer, J Pihlasalo, P Taskinen, R Watson, M Vuorio 28th Cement and Concrete Science, IOM3, 15-16 Sep 2008, The University of Manchester, Manchester.

A computational interface for thermodynamic calculations software MTDATA
Huang Z; Conway P P; Thomson R C; Dinsdale A T; Robinson J A J; CALPHAD, 2008, 32, 129-134

Soldering on
Watson, A; Kroupa, A; Ipser, H; Dinsdale, A; Vrestal, J., Materials World 2007, 15(7), 32-33.

C-S-H solubility modelling at different temperatures,
J A Gisby, R H Davies, A T Dinsdale, M Tyrer, F P Glasser, J Hill, P Livesey, C Walker, 12th Int. Congress on Chemistry of Cements, Montreal 2007.

Predicting phase equilibria in oxide and sulphude systems,
J A Gisby, A T Dinsdale, P A Taskinen, European Metallurgical Conference, June 11-14, 2007, Dusseldorf, Germany.

The development of the COST 531 lead-free solders thermodynamic database
Kroupa, A. Dinsdale, A. T. Watson, A. Vrestal, J. Vizdal, J. Zemanova, A. JOM, 2007, 59(7), 20-25

Finite Element Calculation of Local Variation in the Driving Force for Austenite to Martensite Transformation
Datta, K. Post, J. Dinsdale, A. Geijselaers, H. J. M. Huetink, J AIP CONFERENCE PROCEEDINGS ESAFORM conference on material forming 2007, 907; PART A, 229-234, Melville, N.Y.; American Institute of Physics; 2007

Development of Tritium in Concrete Reference Materials
P H Burgess, M García-Miranda, J A Gisby, A V Harms, S M Jerome, S Woods ICRM 2007, Cape Town.

The COST 531 lead-free solders thermodynamic database
Watson, A; Dinsdale, A; Kroupa, A; Vizdal, J; Vrestal, J; Zemanova, A.; Congresso Anual da ABM (2006), 61st 1195-1205. Publisher: Associacao Brasileira de Metalurgia e Materiais, CODEN: CAAMEU Journal;

Thermodynamic evidence for a poisoning mechanism in the Al-Si-Ti system
Quested, T. E. Dinsdale, A. T. Greer, A. L., Materials Science And Technology -- X-ray tomography of cracks and crack growth 2006, 22(9), 1126-1134

Industrial slag chemistry: A case study of computational thermodynamics
Pekka Taskinen, Alan Dinsdale and John Gisby; Scandinavian Journal of Metallurgy 2005, 34(2), 100-107

A model to calculate surface tension of commercial alloys
Su, Y. Mills, K. C. Dinsdale, A., Journal of Materials Science 2005, 40(9-10), 2185-2190

Development of fluoride free fluxes for billet casting,
A B Fox, K C Mills, D Lever, C Bezerra, C valadares, I Unamuno, J J Laraudogoitia, J A Gisby ISIJ International, 2005, 45, 1051.

Prediction of properties of steels relevant to process simulation
Robinson, J. A. J. Hills, A. W. D. Dinsdale, A. T. Brooks, R. F. Chapman, L. A. Roebuck, B. Quested, P. N. European Conference on Thermophysical Properties; ECTP 2005 CONF 17; p73 Bratislava:; Slovak Academy of Sciences,; 2005

Thermodynamic modelling of growth-restriction effects in aluminium alloys
Quested T E; Dinsdale A T; Greer A L; Acta Materialia; 2005, 53, 1323-1334

Theoretical study of steam grown oxides as a function of temperature, pressure and p(O2)
Davies R H, Dinsdale A T, Special issue of Materials at High Temperatures 2005, 22(1/2), 15-26 (A PDF of this paper is available on our website)

The measurement of viscosity of alloys - review of methods, data and models
Brooks R F; Dinsdale A T; Quested P N; Meas. Sci. Technol.; 2005, 16, 354-362

The viscosity of aluminium and its alloys - a review of data and models
Dinsdale A T; Quested P N; J. Mater. Sci.; 2004, 39, 7221-8

Dissolution of ZrO2, Al2O3, MgO and MgAl2O4 Particles in a B2O3 Containing Commercial Fluoride-free Mould Slag
Fox A B, Valdez M E, Gisby J, Atwood R C, Lee P D, Sridhar S, ISIJ International, 2004, 44(5), 836-845

Dissolution of ZrO2, Al2O3, MgO and MgAl2O4 particles in a B2O3 containing commercial fluoride free mould slag,
A B Fox, M E Valdez, J A Gisby, R C Atwood, P D Lee, S Sridhar ISIJ International, 2004, 44(5), 836-845.

INDUSTRIAL SLAG CHEMISTRY- A Case Study of Computational Thermodynamics
Taskinen P, Dinsdale A T, Gisby J A, Metal Separation Technologies III, Copper Mountain 2004

Projet européen HIMERT : le point sur la réalisation de points fixes à hautes température
Machin G, Beynon G, Edler F, Fourrez S, Hartmann J, Jimeno-Largo P, Lowe D, Morice R, Sadli M, Villamanan M, Anhalt K, Bourson F, Morel E, Proceedings of the 11e Congrès International de Métrologie, 2003

The enthalpy of a solid and liquid titanium - aluminium - vanadium alloy
Brooks R F, Robinson J A J, Chapman L A, Richardson M J, Presented at the 16th European Conference on Thermophysical Properties, Imperial College, London, England, 1 - 4 September 2002

Predicting Phase Equilibria in Oxide and Sulphide Systems
Gisby, J. A. Dinsdale, A. T. Barton-Jones, I. Gibbon, A. Taskinen, P. A. Sulfide smelting 2002, 3rd , 533-546 Warrendale, Pa.;

MTDATA - thermodynamic and phase equilibrium software from the National Physical Laboratory
Davies, R. Dinsdale, A. Gisby, J. Robinson, J. Martin, S. CALPHAD, 2002, 26(2), 229-271

The prediction of thermophysical properties of steels and slags
Robinson J A J, Dinsdale A T, Quested P N, 2nd International Congress on the Science and Technology of Steelmaking, University of Wales, Swansea, ISBN 1-86125-146-7, April 2001. (A PDF of this paper is available on our website)

Calculations of Portland cement clinkering reactions
Barry T I, Glasser F P, Advances in Cement Research, 2000, 12(1), 19-28

Predictive modelling of multiphase alloys
Hayes, F; Thomson, R; Dinsdale, A; Small, C; Woodthorpe, J. Materials Science and Technology (2000), 16(11-12), 1403.

COST 507 Thermochemical database for light alloys
I Ansara, A T Dinsdale, M H Rand. EUR Report 18499, 1998

Amalgam alloys with lead and tin for mercury vapor source in fluorescent lamps
Forsdyke, G M; Mucklejohn, S A; Dinsdale, A T. PCT Int. Appl. (1997), 11 pp.

Thermodynamics of isolated miscibility gaps
Morral J, Davies R, Journal de Chimie Physique et de Physico-Chimie Biologique, May 1997

Use of MTDATA to predict mercury vapour pressures above amalgams for fluorescent lamps
Dinsdale A T; Forsdyke G M; Mucklejohn S A; Proc. 9th Int. Conf. High Temperature Materials Chemistry, State College, Pennsylvania, USA, 19-23 May 1997.

Thermochemical measurements and assessment of the phase diagrams in the system Y-Ba-Cu-O
Boudéne A, Hack K, Mohammad A, Neuschütz, Zimmermann E, Effenberg G, Fries S, Lukas H-L, Konetzki R A, Schmid-Fetzer R, Weiming Huang, Sundman B, Bernard C, Colinet C, Pasturel A, Pisch A, Weiss F, Rais A, Ganteaume M, Mathieu J C, Rogez J, Argent B B, Dinsdale A T, Watson A, High Temperature Science, 1996, 35, 159-179.

Pyrometallurgy of copper-nickel-iron sulphide ores: The calculation of distribution of components between matte, slag, alloy and gas phases
Barry T I, Dinsdale A T, Hodson S M, Taylor J R in, "The SGTE Casebook: Thermodynamics at Work", Hack K, editor The Institute of Materials, London, 1996, pp151-162.

Hot salt corrosion of superalloys
Barry T I, Dinsdale A T in, "The SGTE Casebook: Thermodynamics at Work", Hack K, editor The Institute of Materials, London, 1996, pp56-69.

Physical property measurements for the mathematical modeling of heat and fluid flow in solidification processes
Quested, P N ; Mills, K C ; Brooks, R F ; Monaghan, B ; Dinsdale, A T ; Day, A ; Richardson, M J ; Andon, R J L ; Taylor, R ; Szelagowski, H, Proc. Conf. "Modeling of Casting, Welding and Advanced Solidification Processes VII", London, UK, 10-15 Sept. 1995.

Predictive thermochemistry and phase equilibria in oxide-based systems of industrial interest
Dinsdale A T, Gisby J A. Sels Fondus, 1995 , No57, 2-12.

Predictive thermochemistry and phase equilibria in oxide-based systems of industrial interest
Dinsdale A T, Gisby J A, Barry T I, Gibbon A; Davies A.L, Proc. Conf. "Pyrometallurgy '95", Cambridge, UK, 10-12 July 1995. The Institute of Mining and Metallurgy.

Group 1: Heat Capacity Models for Crystalline Phases from 0 K to 6000 K
M.W.Chase, I.Ansara, A.Dinsdale, G.Eriksson, G.Grimvall, L.Höglund, H.Yokokawa, CALPHAD 1995, 19(4), 437-447.

Thermodynamic Modelling using MTDATA: A Description showing applications involving oxides, alloys and aqueous solutions
Davies R H, Dinsdale A T, Gisby J A, Hodson S M, Ball R G J, Proc. Conf. ASM/TMS Fall meeting. "Applications of thermodynamics in the synthesis and processing of materials", Rosemont, IL, USA, 2-6 Oct 1994.

The thermodynamics of mineral-melt equilibria in the system CaO-MgO-Al2O3-SiO2
Davies A, Wood B, Barry T, Dinsdale A, Gisby J, Mineral. Mag., 1994, 58A, 213-4.

High temperature corrosion and deposition phenomena on stainless steels
Barry T I, Dinsdale A T, Materials Science and Technology, 1994, 10, 1090-1095.

The calculation of phase equilibria of oxide core-concrete systems
Ball R G J, Mignanelli M A, Barry T I, Gisby J A, J. Nucl. Mater., 1993, 201, 238-249.

MTDATA: Applications in Extractive Metallurgy
Gisby J A; Barry T I; Dinsdale A T; Davies R H; Proc. "Quebec 93 Conference of Metallurgists of the Canadian Institute for Mining, Metallurgy and Petroleum), 28 August - 2 September 1993. Publ. "Computer Software in Chemical and Extractive Metallurgy" ed. C W Bale and G A Irons, pp41-55.

A thermodynamic assessment of the Cr-Fe-O system
Taylor J R, Dinsdale A T, Zeit. Metallkde., 1993, 84(5), 335-345.

Predictive thermochemistry and phase equilibria of slags
Barry T I, Dinsdale A T, Gisby J A, JOM, 1993, 5(4), pp32-38.

Reference data for the thermodynamic properties of elements and other components
Dinsdale A T, J. Chim. Phys., 1993, 90, pp189-200.

The compound energy model for ionic solutions with applications to solid oxides
Barry T I, Dinsdale A T, Gisby J A, Hallstedt B, Hillert M, Jansson B, Jonsson S, Sundman B, Taylor J R, J. Phase Equilibria, 1992, 13(5), 459-475.

A Critical assessment of thermodynamic and phase diagram data for the Al-O system
Taylor J R, Dinsdale A T, Hillert M, Selleby M, CALPHAD, 1992, 16(2), 171-8.

Assessment of the Mg-Zn system
Agarwal R; Fries S G; Lukas H L; Petzow G; Sommer F; Chart T G; Effenberg G; Zeit. Metallkde.; 1992, 83(4), 216-223.

SGTE Data for Pure Elements
Dinsdale A T, CALPHAD, 15(4), 1991, pp. 317-425

A reevaluation of the rankinite phase in the CaO-SiO2 system
Hillert M, Sundman B, Wang X, Barry T, CALPHAD, 1991, 15(1), 57-62.

Thermodynamic and phase diagram data for the CaO-SiO2 system
Taylor J R, Dinsdale A T, CALPHAD, 1990, 14(1), 71-88.

A thermodynamic assessment of the Ni-O, Cr-O and Cr-Ni-O systems using the ionic liquid and compound energy models
Taylor J R, Dinsdale A T, Zeit. Metallkde., 1990, 81(5), 354-366.

Application of the calculation of phase equilibria to the pyrometallurgical extraction from sulphide ores
Taylor J R, Dinsdale A T, Proc. Conf. "User Aspects of Phase Diagrams", 25-27 June 1990, Petten, Institute of Metals.

MTDATA - The NPL databank for metallurgical thermochemistry
Davies R H, Dinsdale A T, Hodson S M, Gisby J A, Pugh N J, Barry T I, Chart T G, Proc. Conf. "User Aspects of Phase Diagrams", 25-27 June 1990, Petten, Institute of Metals.

Application of MTDATA to the modelling of multicomponent equilibria
Davies R H, Dinsdale A T, Chart T G, Barry T I, Rand M H, Proc. Conf. Sixth International Conference on High Temperatures, Chemistry of inorganic Materials, 3-7 April 1989, National Institute for Standards and Technology, Gaithersburg, Maryland, USA. . High Temp. Science, 1990, 26, 251-262.

The Ga-Zn (Gallium-Zinc) System
J Dutkiewicz, Z Moser, L Zabdyr, D D Gohil, T G Chart, I Ansara, C Girard, Bull. Alloy Phase Diag., 1990, 11, 77,

A Critical Assessment of Thermodynamic data for the Ga-In System
B C Rugg, T G Chart, Calphad, 1990, 14

New approach to materials design: calculated phase equilibria for composition and structure control
Barry T I, Chart T G, R & D of high temperature materials for industry, editor E Bullock (1989) Elsevier, Barking, 565.

Computations using MTDATA of Metal - Matte - Slag - Gas Equilibria
Dinsdale A T, Hodson S M, Barry T I, Taylor J R, Proc. Conf. 27th Annual Conference of Metallurgists, CIM, Montreal, 1988, 11, 59.

Application of MTDATA to modelling of slag, matte, metal, gas phase equilibria
Dinsdale A T, Hodson S M, Taylor J R, Proc. Conf. "3rd International Conference on Molten Slags and Fluxes", 27-29 June 1988, University of Strathclyde, Glasgow, p246-253, Institute of Metals.

Metastable Lattice Stabilities for the elements
Saunders N, Miodownik A P, Dinsdale A T, CALPHAD, 1988, 12(4), 351-74,

Thermodynamics of Metal-Gas-Liquid Reactions
Barry T I, Dinsdale A T, Materials Science and Technology, 3, 1987, pp. 501-511.

Updated 7 June 2011