MTDATA versions

v5.1 [Feb 24, 2012]
1. General Features
- Configuration variables
MORE_MISC_GAP=YES/NO
IMPLICIT_COMPONENT=AUTO is now the default
- Ternary
Default step size is now = 0.01
- Coplot
The phase field labels now use fonts. Previously the labels used MTDATA’s own “Leroy” vector characters.
- Multiphase
It is possible now to set equilibrium constraint ratios for species and components eg.
- Access
Various problems with brackets in component names have been fixed. The maximum number of elements in combination (eg in a single species) has been increased to 9. It is no possible to use terms in ln(T) for the Gibbs energy. This is output by access as if it were a term in T**9999. This was necessary for the implementation of the NASA thermodynamic database within MTDATA. This applies not just to unary data but also to binary, ternary and quaternary interactions. Changes have been made to the database structure to extend the ranges of properties that can be stored. This may currently be used to store viscosity but in future other properties such as molecular constants may be added.
A non-ideal gas model has been introduced based on a residual volume (V-RT/P) using the Murnaghan functional form. In the simplest temperature dependent form this represents the second virial coefficient as a*exp(b/T). The volume of a non-ideal gas phase caanot be fixed in this release.
- Utility
Support for extended property data (eg viscosity) has been introduced into the load_data and list_data commands. The possibility of using longer unary names of up to 120 characters have been introduced. The previous limit was 80 characters.
- Assessment
It is now possible to change the print settings. It is now possible to list the results of a given calculation with a recalculation. This can be achieved by entering "List results full !". The possibility to modify terms in ln(T) for the Gibbs energy has been introduced.
2. Applications
- NewIsopleth
NewIsopleth can be run through the MTDATA character interface through the macro "mt-newisopleth.mac" or through a graphical user interface in MTDATA Studio. The robustness of new isopleth and new trisect has been improved through changes to the routines for calculating zero phase fraction lines. Changes have been made to improve the calculation of invariant temperature and compositions and also to obtain better results where phases with miscibility gaps are present. A new labelling option “L+M” has been added to give the mass % of a phase. This is not available in WinMT or MTDATA Studio.
- OldIsopleth
The default value for the configuration variable PHASE_PRESENT_REL_TOL has been changed to be a function of fractional composition range during the horizontal scans.
- NewTrisect
NewTrisect can be run through the MTDATA character interface via the macro "mt-trisect.mac" and then changing the value of the user_variable application_code to 20.
The robustness of new isopleth and new trisect has been improved through changes to the routines for calculating zero phase fraction lines. A labelling option “L+M” has been added to give the mass % of a phase. This is not available in WinMT or MTDATA Studio.
Changes have been made to improve the reliability of calculations close to the edge of the triangular diagram to ensure definition of more reliable start points for zero phase fraction lines.
- Liqproj
Cosmetic changes have been made to the layout of the temperatures ranges reported to the top right of the calculated diagram and to the display of the invariant temperatures.
- Liqsect
Changes have been made to allow more control over the replotted contours and primary phase fields. The diagrams calculated by liqsect have now been separated giving their own individual metafiles if required. This has been achieved by use of the user variable "plotting_option" which may be assigned a value of 5 to plot a smoothed labelled temperatures on new blank triangle without a new calculation and 6 to plot a smoothed named primary phase boundary on new blank triangle, again without a new calculation.
The calculation of primary phase field boundaries and cusps in contours has now been improved. The possibility of user abort of liqsect diagrams has been introduced if MTDATA is being run in interactive mode. Labelling of the primary phases is now done in terms of numbers rather than names.