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MTDATA Studio - Overview

Intro

Getting Started

A couple of worked examples.

Binary Phase Diagram

An example of calculating a simple binary phase diagram.

  • Search for the system.

    • Open the new system search dialog with \userinterface{File > New Thermodynamic Datafile}.
    • \item In \userinterface{Components} enter \code{Al Si}.
    • \item Select the \code{SGSOL} database only, using the checkboxes on the left of the databases list.
    • \item Click \userinterface{Continue} to search the database and load the new system.

  • Start the calculation.

    • Select the \userinterface{Mapped Calculation} tab.
    • \item Enter temperature limits of \code{400} and \code{1800} in the \userinterface{Temperature low} and \userinterface{Temperature high} boxes, and make sure the unit is set to K.
    • \item By default the \userinterface{Start Composition} and \userinterface{End Composition} panels are set to give a complete binary phase diagram, so they do not need to be changed.
    • \item All other options are fine at the defaults.
    • \item Click the \userinterface{Calculate}.

  • \item A new window will be created, showing the axes for the binary diagram. The diagram will then be drawn on this as it is calculated. The current progress is shown in the title bar of this window.

  • \item When the diagram is complete the progress message will change to \userinterface{Finished}.

Multiphase Calculation

  • \item Search for the system as in the previous example.

Searching Databases

new system dialog

enter components

status

select databases

multiple databases

change order of databases

examine phases, unaries and substances

Datafiles

open existing file

save file

examine phases, unaries and substances

set any necessary classifications, absent/normal

set miscibility gaps

Graphics Windows

Saving to a File

Any graphics window can be saved to a file. Select the option \userinterface{Save As...} from the \userinterface{File} menu. The format that the file is saved in can be selected from the save as dialog box. The options are: \begin{itemize} \item \end{itemize}

Magnifier

The magnifier window is opened by right clicking on a graphics window and selecting the option \userinterface{Open magnifier}. The window will show the graphics centered on the the mouse location. The magnification level shown can be changed with the mouse scroll wheel. The location that is shown magnified can be changed by clicking on the graphics window.

MTDATA Classic

This is a traditional MTDATA interface, with a character based interface and graphics contained in a single window. This interface can be started using the ...... menu option or the ..... toolbar button.

Other Interfaces

MTDATA for Windows is installed by default, all of the other interfaces described here are only installed by selecting the Advanced section in the installer.

MTDATA for Windows

MTDATA CMD

MTDATA Classic Quad and MTDATA CMD Quad

These versions are identical to MTDATA Classic and MTDATA CMD, except that they are compiled to use quadruple length floating point arithmetic in the main calculation code. To take advantage of this there are also differences in some of the tolerances used.

The advantage of these versions is the enhanced accuracy when performing calculations with large differences in the amounts of components, for example the first component with an amount of 1 mole and the second component with an amount of 10-6 moles.

Quadruple length floating point arithmetic is performed in software, rather than hardware and so the MTDATA Quad versions are extremely slow compared with the main MTDATA versions (approximately 100 times slower). Therefore these versions should only be used if absolutely necessary, and generally only if recommended to do so by NPL.

MTDATA Application Interface

For using MTDATA calculations within your own software or for linking to 3rd party modelling packages. Full details are available in a separate manual.

StatMech

StatMech is an extra module included in \strong{MTDATA Studio} that can be used generate thermodynamic data using statistical mechanics. It is beyond the scope of this manual, for more information please contact NPL.