TY - JOUR
T1 - A comparative study of two numerical approaches for solving Kim–Kim–Suzuki phase-field models
AU - Bognarova, Xueyang
AU - Jiang, Wen
AU - Schwen, Daniel
AU - Tonks, Michael R.
N1 - Funding Information:
We thank Dr. Vishal Yadav for his valuable revision suggestions. We gratefully acknowledge the high-performance computing clusters (HiPerGator) operated by the University of Florida. This manuscript is based upon work supported by the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) under the Award Number DE-EE0008459. Disclaimer: This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States.
Funding Information:
This manuscript is based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Award Number DE-EE0008459 . Disclaimer: This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States.
Publisher Copyright:
© 2023
PY - 2023/10/5
Y1 - 2023/10/5
N2 - Among the standard multi-phase multi-component phase-field (PF) methods, the Kim–Kim–Suzuki (KKS) method has the advantage of decoupling interfacial energy from bulk energy and solving concentration as the conserved variable. There are two approaches to numerically solving a KKS method: the global solution approach (GSA) solves all variables in a global system simultaneously, and the local solution approach (LSA) solves phase concentrations locally using a Newton solver. This work compares the performance of LSA and GSA for solving four KKS models of increasing complexity with the finite element method using the MOOSE framework. The solution accuracy, degrees of freedom (DOFs), memory usage, and computational efficiency are compared. We find that GSA and LSA generate similar solutions, with a maximum difference of only 0.34%. For each model, LSA has a lower number of DOFs, utilizes less memory, and less wall time. The savings of memory and wall time in LSA increase with increasing mesh density of the same model and are more pronounced in models with higher dimensionality and more nodes. However, GSA is easier to implement in existing codes and can better solve highly nonlinear systems by utilizing sophisticated solvers.
AB - Among the standard multi-phase multi-component phase-field (PF) methods, the Kim–Kim–Suzuki (KKS) method has the advantage of decoupling interfacial energy from bulk energy and solving concentration as the conserved variable. There are two approaches to numerically solving a KKS method: the global solution approach (GSA) solves all variables in a global system simultaneously, and the local solution approach (LSA) solves phase concentrations locally using a Newton solver. This work compares the performance of LSA and GSA for solving four KKS models of increasing complexity with the finite element method using the MOOSE framework. The solution accuracy, degrees of freedom (DOFs), memory usage, and computational efficiency are compared. We find that GSA and LSA generate similar solutions, with a maximum difference of only 0.34%. For each model, LSA has a lower number of DOFs, utilizes less memory, and less wall time. The savings of memory and wall time in LSA increase with increasing mesh density of the same model and are more pronounced in models with higher dimensionality and more nodes. However, GSA is easier to implement in existing codes and can better solve highly nonlinear systems by utilizing sophisticated solvers.
KW - Kim–Kim–Suzuki model
KW - Numerical methods
KW - Phase-field method
UR - https://www.scopus.com/pages/publications/85165541513
U2 - 10.1016/j.commatsci.2023.112375
DO - 10.1016/j.commatsci.2023.112375
M3 - Article
AN - SCOPUS:85165541513
SN - 0927-0256
VL - 229
JO - Computational Materials Science
JF - Computational Materials Science
M1 - 112375
ER -