MTDATA News

This includes a significantly enhanced version of MTDATA Studio, MTDATA for Windows, MTDATA for PC (command line version MTDATA Classic and MTDATA CMD). The high performance calculations and high quality graphics available via MTDATA Studio mean that this is likely to be the first choice for the calculation of isopleths, fixed composition, variable temperature and fixed temperature, variable composition calculations.

SGSUB v13.0: New release of the SGTE Substance Database

Updated 21 April 2011

A new version (version 13.01) of the SGTE Substance Database has now been released for use with MTDATA. The database now contains data for 4530 substances. Most of these substances are inorganic but the database also contains a number of datasets for common organic materials, typically those with fewer than 3 carbon atoms. More extensive datasets for organic materials can be found in the complimentary SGORG database. While this version of the database is only marginally larger than the previous version it does represent major revisions of data for a number of key inorganic substances, especially transition metal halides. The MTDATA version of the database may be downloaded directly from this web site.

MTDATA Version 5.03 Released

Added 8 March 2011

The new version of MTDATA is now available.

This includes MTDATA for Windows, MTDATA for PC (command line) and the new MTDATA Studio. MTDATA incoporates the NPL StatMech software for the calculation of thermodynamic properties of gas phase species from molecular constants.

If you are a licensed user of MTDATA wishing to install or upgrade MTDATA to Version 5.03 (please note that a permit update may be required).

Please see this page

If you would like to download the MTDATA for Windows Evaluation Version and evaluate MTDATA

Please see this page

For details of what has changed with this release see here...

This release is for MTDATA for Windows, the high performance character based version for PCs and for Linux and the API.

For details of the latest versions of MTDATA databases please see the Current Releases page.

Metrofission - a new project concerned with metrology for future generation nuclear power plant

Added 14 October 2010

NPL is one of a number of European National Measurement Institutes taking part in a collaborative project to develop the underpinning metrological infrastucture necessary for future generation nuclear power plant. There are 9 working groups concerned with: development of temperature measurements techniques and temperature sensors, improved thermochemical data, techniques and reference materials for thermophysical property measurement, improved nuclear cross section and nuclear decay data, Triple-to-Double-Coincidence-Ratio properties and digital coincidence counting.

The thermochemical and thermodynamic properties will be undertaken jointly between NPL and the Joint Research Centre’s Institute for Transuranium elements in Karlsruhe, Germany. The emphasis here will be to develop underpinning thermodynamic properties associated with interaction between a sodium coolant and an oxide based nuclear fuel. One key aspect of future generation nuclear power plant is the inclusion of minor actinides such as neptunium in the fuel. The system to be studied has therefore initially been restricted to Na-O-U-Pu-Np. Compatibility with other nuclear databases such as FUELBASE is key.

Developing a CFD Chemistry capability at NPL

Added 10 September 2010

NPL is currently developing techniques to allow us to model the complex materials chemistry of systems featuring temperature and composition gradients and the dynamics caused by flow. Measurement in these scenarios can be intrusive and also expensive. Modelling, however, does provide an alternative and can also be used to determine which parameters need to be measured and their sensitivity to the simulation. This would lead to a lowering of the cost and speeding the development process. The key technologies that would benefit from this technique initially are likely to be: the development of new products such as lighting units, the improvement of production processes, and monitoring and control of degradation processes in, for example, fuel cells.

MTDATA Version 5.01 Released

Added 19 May 2010

The new version of MTDATA is now available.

If you are a licensed user of MTDATA wishing to install or upgrade MTDATA to Version 5.01 (please note that a permit update may be required).

Please see this page

If you would like to download the MTDATA for Windows Evaluation Version and evaluate MTDATA

Please see this page

For details of what has changed with this release see here...

This release is for MTDATA for Windows, the high performance character based version for PCs and for Linux and the API.

For details of the latest versions of MTDATA databases please see the Current Releases page.

MTDATA Users Group 21

Updated 14 Octover 2010

The next meeting of the MTDATA Users Group will be held in 2011.

Phase Equilibrium Data for Oxide Systems

Updated 1 March 2010

Sponsors of the NPL/ MIRO project RC211 already have access to a quality database for crystalline solutions, stoichiometric phases, liquid oxides and stoichiometric substances in the Co-Cr-Cu-Fe-Ni-S-O matte / metal system and in the oxide systems K₂O-Na₂O-CaO-MgO-Cu-Fe-O-Al₂O₃-SiO₂-S and CaO-CoO-Cu-Cr-Fe-O-MgO-NiO-Al₂O₃-SiO₂ with selective additions of B₂O₃, CaF₂, Li₂O, MnO, Nb₂O₅, TiO₂, P₂O₅, PbO, V₂O₃-V₂O₅, ZnO, ZrO₂. Dilute solutions of OH^-, SO₄^2-, CO₃^2- in selected liquid oxides have also been modelled. In associated projects models and parameters have been developed to allow the calculation of condensed phase volume and density changes and liquid oxide viscosities in the Na₂O-CaO-CoO-Cu-Cr-Fe-O-MgO-NiO-Al₂O₃-SiO₂ system along with equilibria involving additions of CdO, As₂O₃ and As₂O₅.

The current round of the oxide database development project started in January 2010. Increased coverage of Nb₂O₅, B₂O₃ and Li₂O containing oxide systems, the introduction of additional Mn oxidation states, work on Pb, Mn, As, Sb, Zn containing matte / metal systems and the introduction of NaF, TeO₂, Sb₂O₃ and SnO₂ are all planned. Complementary work on modelling the electrical conductivity of liquid oxides is also under consideration. Exploratory work on modelling hydrated phases such as the calcium aluminate silicate hydrate gels important in cement chemistry, their interactions with aqueous solutions of different salinities over a range of temperature and their interaction with heavy metals in aqueous solution has proved successful. Further work to generate a practical database for use in predictive calculations relating to cements is planned.

For more information about the RC211 project or associated projects please contact John Gisby or click here. A number of subsets of the full oxide database detailed above are available for lease to non sponsors of the RC211 project. For more details of the coverage of these subsets also contact John Gisby.

MTDATA INTRODUCTORY COURSE

Updated 12 May 2010

The next MTDATA Introductory Course will be held on:

19th-20th May 2010 at Sibelco.

This course is aimed at new or potential users of MTDATA. It aims to give a hands-on introduction to the MTDATA graphical and character based user interfaces and an overview of the functionality of each of the different MTDATA modules. Module by module demonstrations are supplemented by practical sessions where participants are encouraged to try out calculations of their own or to attempt set examples. Course notes are provided in the form of a summary of MTDATA commands.

More information about these courses can be found on the MTDATA web site. The fee for the course is 950 Pounds, excluding VAT, per person for two days. A discount is available for academic institutions. Places can be reserved by e-mailing John Gisby.

SGSUB v12.1: New release of the SGTE Substance Database

Updated 12 June 2009

A new version (version 12.1) of the SGTE Substance Database has now been released for use with MTDATA. The database now contains data for 4237 substances. Most of these substances are inorganic but the database also contains a number of datasets for common organic materials, typically those with fewer than 3 carbon atoms. More extensive datasets for organic materials can be found in the complimentary SGORG database. While this version of the database is only marginally larger than the previous version it does represent major revisions of data for a number ofkey inorganic substances, especially transition metal halides. The MTDATA version of the database may be downloaded directly from this web site.

SOLDERS v1.0: A Thermodynamic database for lead free solders

Updated 21 November 2008

A new thermodynamic database for lead free solders has just been released for use with MTDATA. NPL has participated actively in the development of a thermodynamic database for lead free solders as part of the COST531 European Action. The final version (Version 3.0) of the database has just been released to participants. This is now also being made available commercially for use by the wider scientific community as version 1.0 of the SOLDERS database for the calculation of phase diagrams.

As a result of the scientific work carried out under COST531 two volumes have been published, the first being an Atlas of Phase Diagrams for Lead-Free Soldering by A T Dinsdale, A Watson, A Kroupa, J Vrestal, A Zemanova and J Vizdal, and the second being a Handbook of properties of Lead-Free Solders and Joints by C Schmetterer, H Ipser and J Pearce. The thermodynamic database will be maintained and developed further. For the scope of the database, please click here. For further information please contact Alan Dinsdale.

NPL is also heavily involved in the development of a thermodynamic database for high temperature solders as part of the new COST project MP0602, HISOLD. The aim of this Action is to increase the basic understanding of alloys that can be used as Pb-free alternatives to high temperatures currently exempt from legislation. Such materials would have application in for example aerospace and automotive industries.

StatMech v1.1: NPL software for the Calculation of Thermodynamic Properties for gas phase species

Updated 7 May 2008

NPL has just released version 1.1 of StatMech, software for the calculation of thermodynamic properties of gas phase species from molecular constants. Although used widely in developing data for standard publications such as JANAF and TCRAS, such software is not readily available. NPL is developing such software and has just released a free standalone version for sympathetic use. In the future this capability will be include within MTDATA version 5. Please click here for screenshots of the software and further information.

SGTE Casebook

Updated 22 April 2008

The new version of the SGTE Casebook has now been published. The first edition of the book was published in 1996 and showed how thermodynamic calculations can be used as a basic tool in the development and optimisation of materials and processes of many different types. Since then the field of 'computational chemistry' has exploded as the reliability and scope of commercial databases have grown, as software packages have been developed to cover kinetic considerations and as more scientists have been acquainted with the potential that the field offers for understanding and modelling industrial and environmental processes. The examples covered in this much expanded book are, to a large extent, real case studies dealt with by members of SGTE and their collaborators in the course of their work.

For more details click here.

MTDATA DATA ASSESSMENT COURSE

Updated 21 April 2008

There will be an MTDATA Data Assessment Course on the 4th and 5th June 2008. If you are interested in attending this course please email John Gisby.

An MTDATA data assessment course aims to give an introduction to the process by which thermodynamic parameters appropriate for inclusion in MTDATA databases are derived from experimental data. Participants are given practical experience of assessing thermodynamic data using MTDATA's ASSESSMENT module and are guided through the modelling of a sample system. For more details click here.

The course lasts 2 days, and more information can be found on the MTDATA web site. The fee for the course is 1500 Pounds, excluding VAT, per person for two days. A discount is available for academic institutions. Please email John Gisby to reserve a place.

MTDATA Version 4.81 Released

Added 18 April 2008

The new version of MTDATA is now available.

If you are a licensed user of MTDATA wishing to install or upgrade MTDATA to Version 4.81 (please note that a permit update may be required).

Please see this page

If you would like to download the MTDATA for Windows Evaluation Version and evaluate MTDATA free for 30 days.

Please see this page

For details of what has changed with this release see here...

This release is for MTDATA for Windows, the high performance character based version for PCs and for Linux and the API.

For details of the latest versions of MTDATA databases please see the Current Releases page.

Modelling Heat Transfer with Phase Changes

Added 10 July 2006

MTDATA has been successfully linked to TherMOL 3D, a heat flow modelling software package from NPL. This provides a powerful software system capable of modelling transient heat transfer, taking account of changes in material properties with changes in temperature and phase. The new hybrid software is also able to model complex multi-material structures subjected to various heat transfer boundary conditions.

For more information see here or contact Jim Robinson

Process Modelling with MTDATA

Added 21 July 2005

Johnson Matthey, working with NPL, have developed a general model using MTDATA for studying and predicting the distribution of elements in the high temperature processing of precious metals. The use of MTDATA provides a rigorous and reliable way to determine the partitioning of elements between phases. Now with the addition of process specific modelling this becomes an even move powerful tool.

For a number of years scientists at Johnson Matthey Technology Centre, in collaboration with Anglo American Platinum, have used MTDATA and thermodynamic databases from the National Physical Laboratory in order to gain a more fundamental understanding of key production processes. However recently it has become possible to use MTDATA, in this new and exciting way.

Read the case study here...

Updated 21 April 2011