Phase field modeling for the morphological and microstructural evolution of metallic materials under environmental attack

AbstractThe complex degradation of metallic materials in aggressive environments can result in morphological and microstructural changes. The phase-field (PF) method is an effective computational approach to understanding and predicting the morphology, phase change and/or transformation of materials. PF models are based on conserved and non-conserved field variables that represent each phase as a function of space and time coupled with time-dependent equations that describe the mechanisms. This report summarizes progress in the PF modeling of degradation of metallic materials in aqueous corrosion, hydrogen-assisted cracking, high-temperature metal oxidation in the gas phase and porous structure evolution with insights to future applications.

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Phase Field Modeling of Metal Oxidation Kinetics

ECS Meeting Abstracts ◽

10.1149/ma2017-01/15/958 ◽

2017 ◽

Keyword(s):

Phase Field ◽

Oxidation Kinetics ◽

Metal Oxidation ◽

Phase Field Modeling ◽

Field Modeling

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Phase field modeling of grain structure evolution during directional solidification of multi-crystalline silicon sheet

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2017.06.016 ◽

2017 ◽

Vol 475 ◽

pp. 150-157 ◽

Cited By ~ 4

Author(s):

H.K. Lin ◽

C.W. Lan

Keyword(s):

Directional Solidification ◽

Phase Field ◽

Crystalline Silicon ◽

Grain Structure ◽

Structure Evolution ◽

Phase Field Modeling ◽

Field Modeling ◽

Silicon Sheet

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A Computational Model for Structural Evolution of Protein Fibrils

ASME 2010 Conference on Smart Materials, Adaptive Structures and Intelligent Systems, Volume 1 ◽

10.1115/smasis2010-3649 ◽

2010 ◽

Author(s):

Liang Cheng ◽

William S. Oates ◽

Ongi Englander ◽

Anant Paravastu

Keyword(s):

Phase Field ◽

Constitutive Relations ◽

Structural Evolution ◽

Structure Evolution ◽

Self Healing ◽

Phase Field Modeling ◽

Modeling Framework ◽

Field Modeling ◽

Protein Fibrils ◽

Protein Fibril

A phase field modeling framework is developed to quantify structure evolution of protein fibrils in solution. The modeling framework employs a set of multi-physics constitutive relations to predict time dependent protein fibril structural evolution. The balance relations include chemical potential relations, microforces that govern local protein structure evolution, linear momentum and conservation of mass. Anisotropic formation of protein fibrils is controlled by protein monomer microforces and chemical fluxes to obtain long fibril growth from small seed particles. The theoretical model is implemented numerically using a nonlinear finite element phase field modeling approach which couples nonlinear mechanics with microscopic protein fibril structure evolution and chemical behavior. For comparisons to the model, the self-healing RADA16-I protein fibrils are characterized using transmission electron microscopy before and after ultrasonic radiation. Comparisons illustrate quantitative model predictions that govern spontaneous protein fibril self-healing that is predicted on the time scale of several hundred hours. The underlying physical mechanisms associated with self-assembly of the protein fibrils are discussed.

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