MTDATA – Phase Diagram Software from the National Physical Laboratory

 

 

 


 

 

 

 

 

MTDATA News

Forthcoming Events

MTDATA Introductory Courses :

  • 24 to 25 November 2009 at NPL

MTDATA Assessment Course :

  • To be arranged

MTDATA Users Group 21: Postponed until March 2010

Updated 3 November 2009

The next meeting of the MTDATA Users Group has been postposed until March 2010. The programme and theme of the meeting will be announced in due course.

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

Updated 12 June 2009

A new version (version 12.1) of the SGTE Substance Databasehas 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.

MTDATA Users Group 20: Wednesday 26 November

Updated 21 November 2008

This year the meeting will be devoted to a preview of the many new exciting features of MTDATA including MTDATA Studio, incorporating software for the calculation of the thermodynamic properties of gaseous species by statistical mechanics, and MTDATA Launchpad. MTDATA Studio offers high quality graphical output which can be integrated within common Windows applications. It also offers sophisticated temperature-composition phase boundary technology. MTDATA Launchpad offers access to the full MTDATA capability smoothly integrating MTDATA Studio with the high performance command line version of MTDATA from within an easy to use intuitive graphical user interface. This allows multiple MTDATA jobs to be submitted allowing access to the full multi-processor capability of modern PCs and workstations.

For the programme of the meeting please click here.

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 Users' Group Meeting - 26 November 2008

Updated 18 April 2008

The 20th Annual Meeting of the MTDATA Users' Group will be held on Wednesday 26 November 2008. The meeting will feature talks from NPL staff about the latest developments of MTDATA and from users about the practical application of MTDATA and thermodynamics. For more details about the meeting, to reserve a place or to see details of past meetings please visit the MTDATA Users' Group page.


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 INTRODUCTORY COURSES

Updated 18 April 2008

The next two MTDATA Introductory Courses will be held on:

2nd-3rd June 2008 and 24th-25th November 2008, at NPL.

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.


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).

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

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


Phase Equilibrium Data for Oxide Systems

Updated 29 June 2006

Sponsors of the NPL/MIRO project RC192 already have access to a quality database for crystalline solutions, stoichiometric phases, liquid oxides and mattes in the K2O-Na2O-CaO-MgO-Cu-Fe-O-Al2O3-SiO2-S system with additions of B2O3, CaF2, CoO, Cr-O, Li2O, Nb2O5, NiO, MnO, P2O5, PbO, V2O5, ZnO, ZrO2, PbO, Co-Cu-Fe-Ni-S-O mattes and metallic phases, and dilute solutions of OH-, SO42-, CO32- in selected liquid oxides. Predictions of volume and density changes in the CaO-MgO-Fe-O-Al2O3-SiO2 system are possible and models have been developed to allow viscosities of oxide liquids and critical cooling rates for glass formation to be calculated.

The current round of this project started in June 2006. Coverage of CaF2, CoO, Cr-O, Cu-O, NiO containing systems and carbonate capacity modelling are being extended, the new oxide TiO2 is being considered and Cr and Pb are being added to the Co-Cu-Fe-Ni-S-O metal / matte system. Complementary work on modelling the electrical conductivity of liquid oxides and the development of a database covering trace elements such as As and Sb in the main oxide system is also planned.

Exploratory work on modelling hydrated phases such as the calcium aluminate silicate hydrate gels important in cement chemistry and their interactions with aqueous solutions of different salinities over a range of temperature has begun in DTI "studio" project 6PERY0021. Further work to generate a practical database for use in predictive calculations relating to cements is anticipated.

A number of subsets of the full oxide database detailed above are available for lease to non sponsors of the RC192 project. For more details of the coverage of these subsets contact John Gisby or for more information about this project please contact John Gisby or click here.


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.


 

Updated 3 November 2009