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
StatMech v1.1: NPL software for the Calculation of Thermodynamic Properties for gas phase species
Updated 7 May
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.
Updated 22 April
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
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'
MTDATA DATA ASSESSMENT COURSE
Updated 21 April
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
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
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
MTDATA Version 4.81 Released
Added 18 April
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
details of what has changed with this release see
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
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
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
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
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
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
Gisby or click
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
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.