Installing the TQ-Interface and Examples

The TQ-Interface requires an additional license key, which is purchased along with the Thermo‑Calc software/database package. For both Windows and Linux platforms, the TQ-Interface is supplied as a dynamically linked library.

All the examples in this document are included in the SDK installation directory. For example, for a network installation on Windows, the directory is here:

C:\Users\<username>\Documents\Thermo‑Calc\<version>\SDK\TQ\<Windows>

On Windows, once Thermo‑Calc and the SDKs are installed go to Start → All Programs or All Apps → Thermo‑Calc and click SDK to open the folders.

Example Name Description

TQEX01

This sample program shows how to retrieve data from a Thermo‑Calc data file, then defines a set of conditions for a single equilibrium calculation, gets the equilibrium phases and their amounts and compositions. The method of calculating the liquidus and solidus temperature is also demonstrated.

TQEX02

This sample program calculates the To line for the fcc and bcc phase in the Fe-C system.

TQEX03

This sample program simulates the non-equilibrium solidification under the Scheil-Guilliver condition.

TQEX04

This sample program simulates the non-equilibrium solidification under the Scheil-Guilliver condition.

TQEX05

This example demonstrates how to use stream calculation to get the enthalpy of a reaction, i.e., the enthalpy difference between the reaction products at one temperature and the reactants at another temperature. By setting the enthalpy of reaction to zero, the adiabatic temperature can be easily calculated.

TQEX06

This example demonstrates how to use stream calculation to obtain the chill factors in the steelmaking industry.[1]O.Kubaschewski and C.B. Alock, Metallurgical Thermochemistry, 1979, Page 211.

TQEX07

This sample program calculates the A3 temperature of a steel and determines the influence of each alloying element on this temperature. It demonstrates that some very special quantities, such as the composition derivative of temperature, can be obtained easily via the TQ interface.

TQEX08

This sample program displays the diffusion matrix in a multicomponent system.

TQEX09

This sample program show how to retrieve Gibbs energy, Gibbs energy derivatives and mobilities.

TQEX10

This sample program is the same as Example 9 except that it demonstrates how to convert mole fractions to site fractions and first derivatives of Gm w.r.t. site fractions to that w.r.t. mole fractions.

TQEX11

This sample program shows how to get information about the paraequilibrium transformation from FCC to BCC in a steel.

TQEX12

This sample program demonstrates how to use subroutines getting system data from a database and how to restart new calculation on a different system in the same application program.

TQEX13

This sample program demonstrates that the number of phases can increase due to the use of global mininization for equilibrium calculation during which additional composition set(s) can be added automatically if a miscibility gap is detected.

TQEX14

This sample program show how to use the functionality for setting how different composition sets should correspond to different compositions. For example, that in the Ni-Al system the composition set fcc_l12#1 should correspond to gamma and fcc_l12#2 to gamma-prime.

TQEX15

TQ library example to illustrate the use the adaptive interpolation scheme. This example calculates the liquidus temperature in a part of the C-CR-FE system and displays a selection of the results.

 

The MPI examples only show how the TQ-Interface can be used in applications together with MPI. Thermo-Calc Software AB or Thermo-Calc Software, Inc. is not available to answer support questions related to MPI.

MPExample1

This is an MPI (Message Passing Interface) example that calculates the Gibbs energy for a composition grid C with a density of "npoints" at 1273K in the Mn-Ni-Fe system.

MPExample2

This is an MPI (Message Passing Interface) example where a set of equilibrium calculations are distributed over all processes. Then the Gibbs energy of the system is retrieved and collected in a single vector in the master process.