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Coupled Large-Strain Mechanochemical Theory for Solid-State Reaction With Application to Oxidation

33 Pages Posted: 29 Apr 2021 Publication Status: Under Review

See all articles by Hamed Attariani

Hamed Attariani

Wright State University - Department of Mechanical and Materials Engineering

Valery I. Levitas

Iowa State University - Department of Aerospace Engineering; Iowa State University - Department of Mechanical Engineering; Government of the United States of America - Ames Laboratory

Abstract

Oxidation is still perceived as a significant challenge in various industrial applications, e.g., pressurized water reactors and gas-turbines. One of the hurdles in understanding oxidation is its coupled multi-physics nature, i.e., the coupling between mechanics, chemical reaction, change in the microstructure, and diffusion. Here, a general large-strain mechano-chemical theory is developed to model the anisotropic reaction/compositional strain in the solid-state chemical reaction. The anisotropic strain  leads to a unique stress relaxation mechanism, which is in agreement with existing experimental studies. This novel stress-relaxation is achieved by introducing a kinetic relationship between deviatoric compositional and reaction deformation rate and the deviatoric Cauchy stress.  Also, a new chemical potential, including the deviatoric stress, is derived. The new model shows that mechanical stress alters the chemical equilibrium constant through reaction-induced deviatoric stress. Finally, the developed mathematical framework is used to study the aluminum's oxidation for model verification.

Keywords: mechanochemistry, diffusion, anisotropic (tensorial) strain, oxidation, stress relaxation, large deformation

Suggested Citation

Attariani, Hamed and Levitas, Valery I., Coupled Large-Strain Mechanochemical Theory for Solid-State Reaction With Application to Oxidation. Available at SSRN: https://ssrn.com/abstract=3836796 or http://dx.doi.org/10.2139/ssrn.3836796

Hamed Attariani

Wright State University - Department of Mechanical and Materials Engineering ( email )

Dayton, OH 45435
United States

Valery I. Levitas (Contact Author)

Iowa State University - Department of Aerospace Engineering ( email )

Ames, IA
United States

Iowa State University - Department of Mechanical Engineering ( email )

Ames, IA
United States

Government of the United States of America - Ames Laboratory ( email )

Ames, IA 50011-2063
United States

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