Simulating Thermodynamic Stabilization in Nanocrystalline Binary Alloys Using a Novel Cellular Automaton Model

33 Pages Posted: 31 Jul 2020

See all articles by S. L. Cai

S. L. Cai

China Electric Power Research Institute

S. B. Kadambi

Department of Materials Science and Engineering, North Carolina State University

S. Patala

Department of Materials Science and Engineering, North Carolina State University

C.C. Koch

North Carolina State University - Department of Materials Science and Engineering

Abstract

Predictive models for grain growth of nanocrystalline binary alloys are designed to select appropriate solutes and assess thermodynamic stabilization in nanoscale alloy systems. The available models incorporate concepts of free energy, solute segregation, size-misfit elastic strain energy, grain boundary energy and phase field framework. Besides the above factors, the present work proposes a novel cellular automaton model by considering normal grain boundary (GB) diffusion, triple junction GB kinetics and grain misorientation. The experimental data for two kinds of binary alloy system were used to validate the reasonability of the proposed model. For nanocrystalline Fe-4% Zr alloy with large atomic size mismatch and negative mixing enthalpy, compared with the available models, the proposed model shows a better fit to the experimental results for grain size as a function of annealing temperatures. For another binary alloy system with small atomic size mismatch and positive mixing enthalpy, the proposed model also captures well the measurements for grain size of nanocrystalline W-20% Ti alloy. The comparisons reveal that the proposed model has a wide application in addressing the thermal stabilization of nanocrystalline grain size.

Suggested Citation

Cai, S. L. and Kadambi, S. B. and Patala, S. and Koch, C.C., Simulating Thermodynamic Stabilization in Nanocrystalline Binary Alloys Using a Novel Cellular Automaton Model. Available at SSRN: https://ssrn.com/abstract=3655867 or http://dx.doi.org/10.2139/ssrn.3655867

S. L. Cai

China Electric Power Research Institute ( email )

No. 15, Xiaoyingdonglu
Qinghe
Beijing, 100192
China

S. B. Kadambi

Department of Materials Science and Engineering, North Carolina State University

S. Patala

Department of Materials Science and Engineering, North Carolina State University

C.C. Koch (Contact Author)

North Carolina State University - Department of Materials Science and Engineering ( email )

Hillsborough Street
Raleigh, NC 27695
United States

Do you have negative results from your research you’d like to share?

Paper statistics

Downloads
43
Abstract Views
331
PlumX Metrics