CompuTherm is pleased to announce the new release of the Pandat
software and databases version
2020. PanSolidification module, a new module of Pandat software is released. A number of new features
and improvements were also implemented in the PanPhaseDiagram, PanPrecipitation, PanDiffusion and
PanOptimizer modules in Pandat
2020. This newsletter provides you a quick glance of the highlights.
Further details can be found in the User’s Guides of Pandat
software and Thermodynamic Databases
Manual version 2020 at our website
New Release of Pandat
Soware and Databases Version 2020
New Features and Improvements of Pandat
PanSolidification Module This is a new module of Pandat
software developed for the simulation of solidifi-
cation process. It is seamlessly integrated with the user-friendly Pandat
Graphical User Interface (GUI) as well as
thermodynamic calculation engine, PanEngine. The major advantage of this module is that it takes into account of
back diffusion in the solid, undercooling effect and dendrite arm coarsening in the simulation. This module can be
used to simulate elemental distribution in the solid, secondary dendrite arm spacing and other properties during
solidification under given cooling rate. By combining with high-throughput calculation, it can also be used to sketch
hot cracking susceptibility maps. One such example is shown in Figure 1 for the Al-Cu-Mg system and compared
with the experimental observation as shown in Figure 2.
CompuTherm Newsletter
December 20, 2019
Page 1
CompuTherm, LLC
8401 Greenway Blvd.
Suite 248
Middleton, WI 53562
Phone +1 (608) 203-8843
Fax +1 (608) 203-8045
Figure 1: Hot cracking susceptibility map with the cooling rate
of 20K/s for the Al-Cu-Mg ternary system
Figure 2: Experimental cracking susceptibility test results
J.W. Liu et al., Acta Mater., 125 (2017): 513-523
Page 2
New Features of PanPhaseDiagram, PanPrecipitation, PanDiffusion and PanOptimizer Modules
Eigenvalues, eigenvectors, and determinant of Hessian matrix of Gibbs free energy are implemented to allow
the calculation of spinodal lines of multi-component systems
A function is developed to obtain the liquidus and solidus slopes during solidification simulation
User-defined property capability is extended to allow user define system properties in the TDB file as a func-
tion of phase fractions in the format of Redlich-Kister polynomial
Contour line feature is extended and can now be applied to any properties including user-defined system
New GUI for particle dissolution simulation is designed
High-throughput calculation is developed for PanSolidification module
Log-scale graph and grid lines are available for the calculated properties as shown in Figure 3
Interfacial energy calculation can be performed at a given point or a series of points
Optimization can be performed for user-defined properties
High-throughput calculation function is enhanced with respect to both speed and reliability
Databases Improvements were made for the existing thermodynamic databases: PanAl, PanCo, PanFe, PanMg,
PanMo, PanNb, PanNi, PanTi, PanTiAl, PanNoble, and PanHEA. Mobility databases and molar volume databases
are available for all the listed alloys. A mobility database can be integrated with the corresponding thermodynam-
ic database of an alloy system to simulate variety of diffusion-controlled processes, such as precipitation, diffusion
and solidification processes. A molar volume database can be integrated with the corresponding thermodynamic
database of an alloy system to simulate volume and density related properties. Figure 4 shows an example calcula-
tion which compares the calculated and measured linear thermal expansion coefficients for several alloy systems
using the combined thermodynamic and molar volume databases.
Figure 3: Simulated total phase fractions of the A356
alloy during solidification using the Scheil model
Figure 4: Comparison of the calculated and measured
linear thermal expansion coefficients
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