Research Topic

Multiscale Modeling and Simulation of Phase Transformations at Different Scales

About this Research Topic

Materials exhibit macroscopic properties that are dependent on the underlying components at smaller scales. In order to predict the macroscopic properties or to understand the influence of the microscopic material constituents and micro/nanoscale mechanisms of deformation on the macroscopic behavior, multiscale methods are some means of bridging different scales. Nowadays numerous multiscale methods were developed including hierarchical, semi-concurrent, and concurrent methods for modeling intact materials, fractures, and damage and phase transformation.

Phase transformation (PT) is one of the most fundamental phenomena which occurs in many materials and is responsible for determining micro/nanostructures and material properties. Among various types of PTs, solid-solid PT, and in particular, martensitic PT which occurs at the nanoscale, plays an essential role in steels, ceramics, and shape memory alloys. The continuum modeling such as phase-field theory and simulation of martensitic PTs (kinetics, thermodynamics, nanostructures) are of great interest to the nanomechanics/materials community. Also, other relevant topics such as the interaction of PTs with various structural defects such as dislocations, surface-related damages, cracks, voids, interstitial atoms, and so on are also within the scope of this collection.

The goal is to present and discuss recent developments in the multiscale methods in computational mechanics, contact and interfacial mechanics, multiscale modeling of materials and phenomena, continuum modeling and simulation in a broad field of structural changes, including solid-solid phase transformations and chemical reactions, dislocation, and twinning plasticity, and other structural defects at the nanoscale. Theoretical and computational studies at the nanoscale on the determination of kinetics, thermodynamics, and nanostructure of important industrial materials such as shape memory alloys due to martensitic phase transformation and its interaction with structural defects are welcome.

Areas of interest may include, but are not limited to:

• Multiscale methods in computational mechanics including hierarchical, semi-concurrent and concurrent multiscale methods
• Multiscale modeling of friction and contact failures such as wear, contact fatigue, and corrosion.
• Kinetics, thermodynamics, and nanostructure of martensitic phase transformations
• Interfaces
• Phase-field theory
• Phase-field crystal approach
• Coarse-grained phase-field approach
• Non-phase field continuum theories
• Interaction event ( PTs with dislocation plasticity, cracks, nanovoids, interstitial atoms, …)
• Martensitic phase transformations under severe conditions
• Various numerical approaches as well as software implementations on PT related phenomena


Keywords: multiscale methods, phase field theory, phase transformations, multiscale modeling, computational mechanics, simulations, machine learning


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

Materials exhibit macroscopic properties that are dependent on the underlying components at smaller scales. In order to predict the macroscopic properties or to understand the influence of the microscopic material constituents and micro/nanoscale mechanisms of deformation on the macroscopic behavior, multiscale methods are some means of bridging different scales. Nowadays numerous multiscale methods were developed including hierarchical, semi-concurrent, and concurrent methods for modeling intact materials, fractures, and damage and phase transformation.

Phase transformation (PT) is one of the most fundamental phenomena which occurs in many materials and is responsible for determining micro/nanostructures and material properties. Among various types of PTs, solid-solid PT, and in particular, martensitic PT which occurs at the nanoscale, plays an essential role in steels, ceramics, and shape memory alloys. The continuum modeling such as phase-field theory and simulation of martensitic PTs (kinetics, thermodynamics, nanostructures) are of great interest to the nanomechanics/materials community. Also, other relevant topics such as the interaction of PTs with various structural defects such as dislocations, surface-related damages, cracks, voids, interstitial atoms, and so on are also within the scope of this collection.

The goal is to present and discuss recent developments in the multiscale methods in computational mechanics, contact and interfacial mechanics, multiscale modeling of materials and phenomena, continuum modeling and simulation in a broad field of structural changes, including solid-solid phase transformations and chemical reactions, dislocation, and twinning plasticity, and other structural defects at the nanoscale. Theoretical and computational studies at the nanoscale on the determination of kinetics, thermodynamics, and nanostructure of important industrial materials such as shape memory alloys due to martensitic phase transformation and its interaction with structural defects are welcome.

Areas of interest may include, but are not limited to:

• Multiscale methods in computational mechanics including hierarchical, semi-concurrent and concurrent multiscale methods
• Multiscale modeling of friction and contact failures such as wear, contact fatigue, and corrosion.
• Kinetics, thermodynamics, and nanostructure of martensitic phase transformations
• Interfaces
• Phase-field theory
• Phase-field crystal approach
• Coarse-grained phase-field approach
• Non-phase field continuum theories
• Interaction event ( PTs with dislocation plasticity, cracks, nanovoids, interstitial atoms, …)
• Martensitic phase transformations under severe conditions
• Various numerical approaches as well as software implementations on PT related phenomena


Keywords: multiscale methods, phase field theory, phase transformations, multiscale modeling, computational mechanics, simulations, machine learning


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

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Submission Deadlines

28 September 2020 Abstract
01 February 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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Topic Editors

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Submission Deadlines

28 September 2020 Abstract
01 February 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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