Pre Conference Workshop: MICRESS
The phase-field software MICRESS: background, operation and application examples
Phase-field models allow a direct prediction of the microstructure evolution along phase transformations. Hence, they are an elegant way to add length and time scales into a thermodynamic framework. In the workshop, we will demonstrate the use of the phase-field software MICRESS (www.micress.de). We will give a brief background of the multiphase-field model implemented in MICRESS, its link to CALPHAD databases via its dedicated TQ-interface and the different available solvers for chemical diffusion, temperature and mechanical stress/strain. The operation of MICRESS together with the pre- and postprocessing tools MICPad and Display_MICRESS will be explained along application examples, e.g. the simulation of solidification microstructures in additive manufacturing of Ni-base superalloys, solid-state phase transformations during heat treatment of steels or the microstructure design in Zn-alloy development for bearing applications. Furthermore, we will briefly outline how to integrate phase-field simulations into ICME workflows along complete process chains, e.g. how to interact with other software, e.g. via the open simulation platform AixVipMap.
Pre Conference Workshop: PyCalphad
CALPHAD database development and uncertainty quantification using Python
Particular packages used will include pycalphad , ESPEI , and PDUQ [3,4]. Tentatively, we also plan a brief section on molecular dynamics simulation using pyiron [5,6], from the Max Planck Institute for Iron Research. The workshop will be fully interactive, and participants will be provided copies of all software.
Richard Otis & Brandon Bocklund
Pre Conference Workshop: Thermo-Calc
Introduction to the Thermo-Calc product suite, including interactive hands-on session
This workshop is intended for those who are interested in learning more about the Thermo-Calc product suite. The content will be adapted to suit participants already familiar with Thermo-Calc, as well as participants who are new to Thermo-Calc.
We will begin by introducing ourselves and give an overview of the Thermo-Calc product suite. This will be followed by a preview of the upcoming Thermo-Calc 2020b version, which is scheduled for release in June. After this, we intend to present new models, and their implementation in Thermo-Calc, for developing the 3rd generation CALPHAD databases. CALPHAD extensions, e.g. modelling of thermophysical properties, will also be discussed. At the end, we will dedicate a full hour for hands-on training. We will prepare some examples to work on, but since this part is supposed to be interactive, we will adapt the exercises according to the participants’ interest and needs.
A tentative outline of the workshop is:
14:00 - 14:15 Introduction
14:15 – 15:00 Preview of the Thermo-Calc 2020b release
15:00 – 15:30 Models and their implementation for 3rd generation databases
15:30 – 16:00 CALPHAD extensions, e.g. modelling of thermophysical property data
16:00 – 17:00 Hands-on training
Training session will be hands-on. Participants who do not have access to Thermo-Calc are encouraged to download and install the software via the following link in advance of attending the workshop.
The educational package for students: https://www.thermocalc.com/academia/students/educational-package-for-students/
Pre Conference Workshop: OpenCalphad
An introduction to the thermodynamic software OpenCalphad, freely available at
http://www.opencalphad.org. The participants can install this on their laptops before the workshop or will have help to install it at the beginning of the workshop. The installation requires a GCC compiler and the GNUPLOT software for graphics.
Some of the examples provided with the software will be used to teach the use the interactive user interface to calculate equilibria and various types of diagrams. This includes also an example how to assess model parameters using experimental and DFT data. A survey of models for thermodynamic assessments will be presented.
If there is interest the OCASI software interface will also be explained.