Diffusion-driven microstructure evolution in OpenCalphad

Research output: Journal contributionsJournal articlesResearchpeer-review

Authors

The diffusion process in multicomponent alloys has a significant influence on the evolution of the microstructure. The Calphad approach is a powerful method for describing the equilibrium state as well as the kinetics of non-equilibrium systems via the Gibbs energy. In this work, the principles of multicomponent diffusion theory are considered intensively, and an equation for the fluxes in the case of substitutional-interstitial diffusion is given for implementation. Additionally, the calculation of mobility matrices and thermodynamic factors is addressed. As an application case, substitutional diffusion is implemented in OpenCalphad and is used for calculating the growth rate for spherical precipitates from a supersaturated aluminum matrix. The growth rate has been integrated into the Kampmann–Wagner numerical model, which describes nucleation, growth, and coarsening for spherical precipitates. A AlMgZnCu alloy is considered, which has great significance in the field of materials processing.

Original languageEnglish
Article number109236
JournalComputational Materials Science
Volume175
Number of pages10
ISSN0927-0256
DOIs
Publication statusPublished - 01.04.2020

    Research areas

  • Engineering - Bulk diffusion, Calphad, Mobility, Precipitation, Thermodynamic factor

Documents

DOI

Recently viewed

Publications

  1. Methodologies for Noise and Gross Error Detection using Univariate Signal-Based Approaches in Industrial Application
  2. A lyapunov approach in the derivative approximation using a dynamic system
  3. Stepwise-based optimizing approaches for arrangements of loudspeaker in multi-zone sound field reproduction
  4. Scaffolding argumentation in mathematics with CSCL scripts
  5. Modeling items for text comprehension assessment using confirmatory factor analysis
  6. Supporting the Development and Implementation of a Digitalization Strategy in SMEs through a Lightweight Architecture-based Method
  7. Dynamic environment modelling and prediction for autonomous systems
  8. A tutorial introduction to adaptive fractal analysis
  9. Fast, Fully Automated Analysis of Voriconazole from Serum by LC-LC-ESI-MS-MS with Parallel Column-Switching Technique
  10. Robust Control of Mobile Transportation Object with 3D Technical Vision System
  11. Eighth Workshop on Mining and Learning with Graphs
  12. Knowledge Graph Question Answering and Large Language Models
  13. Introduction Mobile Digital Practices. Situating People, Things, and Data
  14. What can conservation strategies learn from the ecosystem services approach?
  15. A Class of Simple Stochastic Online Bin Packing Algorithms
  16. Constraints are the solution, not the problem
  17. Overcoming Multi-legacy Application Challenges through Building Dynamic Capabilities for Low-Code Adoption
  18. Positioning Improvement for a Laser Scanning System using cSORPD control
  19. Determinants and Outcomes of Dual Distribution:
  20. Handicaps in job assignment
  21. Covert and overt automatic imitation are correlated
  22. Exploring large vegetation databases to detect temporal trends in species occurrences
  23. Trait-based approaches to analyze links between the drivers of change and ecosystem services
  24. When, Where, and How Nature Matters for Ecosystem Services
  25. Lessons learned and challenges for environmental management in Colombia
  26. A latent state-trait analysis of current achievement motivation across different tasks of cognitive ability
  27. An interdisciplinary perspective on scaling in transitions
  28. Increased Reliability of Draw-In Prediction in a Single Stage Deep-Drawing Operation via Transfer Learning
  29. Steering of land use in the context of sustainable development