Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique

Research output: Journal contributionsJournal articlesResearchpeer-review

Standard

Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique. / Herrnring, Jan; Sundman, Bo; Staron, Peter et al.
In: Acta Materialia, Vol. 215, 117053, 15.08.2021.

Research output: Journal contributionsJournal articlesResearchpeer-review

Harvard

APA

Vancouver

Bibtex

@article{53ce062b235d4028ba6a358a9468d4ce,
title = "Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique",
abstract = "The collection and coupling of thermodynamic data following the Calphad framework is important for the computational alloy and process design. The microstructure and the precipitation kinetics have a significant influence on the microstructure and mechanical properties of multi-component alloys in solid state; therefore, it is essential to account for solid state phase transformations via thermo-chemical process simulations. In this work an efficient numerical scheme for a Kampmann-Wagner numerical (KWN) model, which takes into account multi-component nucleation and growth theories via the coupling to the open thermodynamic software-package OpenCalphad, is developed and implemented. By the usage of the Calphad approach, it becomes feasible to describe complex multi-component alloy systems. The developed KWN model can take into account effects resulting from the generation or annihilation of vacancies by an off-equilibrium diffusion constant. For the solution of the particle size distribution an efficient and flexible moving grid algorithm is elaborated, which provides a robust and adaptive solution scheme for the simulation of nucleation, growth, coarsening and reversion. The model is applied to simulate the precipitation kinetics of recently published in-situ anomalous small angle X-ray scattering experiments studying reversion of an AA7xxx alloy and the identified model can reproduce the essential characteristics of these reversion experiments over a wide temperature range.",
keywords = "Aluminum alloys, Kampmann-Wagner numerical model, Moving grid technique, OpenCalphad, Precipitation kinetics, Engineering",
author = "Jan Herrnring and Bo Sundman and Peter Staron and Benjamin Klusemann",
year = "2021",
month = aug,
day = "15",
doi = "10.1016/j.actamat.2021.117053",
language = "English",
volume = "215",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Acta Materialia Inc",

}

RIS

TY - JOUR

T1 - Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique

AU - Herrnring, Jan

AU - Sundman, Bo

AU - Staron, Peter

AU - Klusemann, Benjamin

PY - 2021/8/15

Y1 - 2021/8/15

N2 - The collection and coupling of thermodynamic data following the Calphad framework is important for the computational alloy and process design. The microstructure and the precipitation kinetics have a significant influence on the microstructure and mechanical properties of multi-component alloys in solid state; therefore, it is essential to account for solid state phase transformations via thermo-chemical process simulations. In this work an efficient numerical scheme for a Kampmann-Wagner numerical (KWN) model, which takes into account multi-component nucleation and growth theories via the coupling to the open thermodynamic software-package OpenCalphad, is developed and implemented. By the usage of the Calphad approach, it becomes feasible to describe complex multi-component alloy systems. The developed KWN model can take into account effects resulting from the generation or annihilation of vacancies by an off-equilibrium diffusion constant. For the solution of the particle size distribution an efficient and flexible moving grid algorithm is elaborated, which provides a robust and adaptive solution scheme for the simulation of nucleation, growth, coarsening and reversion. The model is applied to simulate the precipitation kinetics of recently published in-situ anomalous small angle X-ray scattering experiments studying reversion of an AA7xxx alloy and the identified model can reproduce the essential characteristics of these reversion experiments over a wide temperature range.

AB - The collection and coupling of thermodynamic data following the Calphad framework is important for the computational alloy and process design. The microstructure and the precipitation kinetics have a significant influence on the microstructure and mechanical properties of multi-component alloys in solid state; therefore, it is essential to account for solid state phase transformations via thermo-chemical process simulations. In this work an efficient numerical scheme for a Kampmann-Wagner numerical (KWN) model, which takes into account multi-component nucleation and growth theories via the coupling to the open thermodynamic software-package OpenCalphad, is developed and implemented. By the usage of the Calphad approach, it becomes feasible to describe complex multi-component alloy systems. The developed KWN model can take into account effects resulting from the generation or annihilation of vacancies by an off-equilibrium diffusion constant. For the solution of the particle size distribution an efficient and flexible moving grid algorithm is elaborated, which provides a robust and adaptive solution scheme for the simulation of nucleation, growth, coarsening and reversion. The model is applied to simulate the precipitation kinetics of recently published in-situ anomalous small angle X-ray scattering experiments studying reversion of an AA7xxx alloy and the identified model can reproduce the essential characteristics of these reversion experiments over a wide temperature range.

KW - Aluminum alloys

KW - Kampmann-Wagner numerical model

KW - Moving grid technique

KW - OpenCalphad

KW - Precipitation kinetics

KW - Engineering

UR - http://www.scopus.com/inward/record.url?scp=85108661346&partnerID=8YFLogxK

U2 - 10.1016/j.actamat.2021.117053

DO - 10.1016/j.actamat.2021.117053

M3 - Journal articles

AN - SCOPUS:85108661346

VL - 215

JO - Acta Materialia

JF - Acta Materialia

SN - 1359-6454

M1 - 117053

ER -

Recently viewed

Publications

  1. Enabling Road Condition Monitoring with an on-board Vehicle Sensor Setup
  2. Efficient and accurate ℓ p-norm multiple kernel learning
  3. Neural network-based adaptive fault-tolerant control for strict-feedback nonlinear systems with input dead zone and saturation
  4. Different complex word problems require different combinations of cognitive skills
  5. Semantic Parsing for Knowledge Graph Question Answering with Large Language Models
  6. Control of the inverse pendulum based on sliding mode and model predictive control
  7. Clustering Hydrological Homogeneous Regions and Neural Network Based Index Flood Estimation for Ungauged Catchments
  8. Latent structure perceptron with feature induction for unrestricted coreference resolution
  9. Selecting and Adapting Methods for Analysis and Design in Value-Sensitive Digital Social Innovation Projects: Toward Design Principles
  10. Modeling Effective and Ineffective Knowledge Communication and Learning Discourses in CSCL with Hidden Markov Models
  11. Problem structuring for transitions
  12. Using Decision Trees and Reinforcement Learning for the Dynamic Adjustment of Composite Sequencing Rules in a Flexible Manufacturing System
  13. Spatial mislocalization as a consequence of sequential coding of stimuli
  14. DialogueMaps: Supporting interactive transdisciplinary dialogues with a web-based tool for multi-layer knowledge maps
  15. Real-time RDF extraction from unstructured data streams
  16. A Multivariate Method for Dynamic System Analysis
  17. On the Decoupling and Output Functional Controllability of Robotic Manipulation
  18. Analysis of long-term statistical data of cobalt flows in the EU
  19. Supporting the Development and Implementation of a Digitalization Strategy in SMEs through a Lightweight Architecture-based Method
  20. FFTSMC with Optimal Reference Trajectory Generated by MPC in Robust Robotino Motion Planning with Saturating Inputs
  21. Retest effects in matrix test performance