Thermodynamic Modeling of Materials: Microstructure and Properties
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Simulation and Design".
Deadline for manuscript submissions: closed (20 December 2022) | Viewed by 2568
Special Issue Editor
Interests: metastable phases; special alloy systems; intermetallics; precipitate evolution; functional materials; heterogeneous systems
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The vision of complex alloy design via integrated modeling and simulation has become a mission due to enormous physical modeling initiatives and rapidly increasing computing power. In the framework of computational materials engineering—whose main target is the predictive power in the coupling of modeling on different scales, from nanoscale (e.g., crystal structures, atomic ordering, clustering) up to macroscale (e.g., creep, crack formation)—the emergence of models for microstructural evolution trends in a mean‐field and full‐field modeling of materials involving local chemical and microstructural changes and interfaces has become feasible. Modeling activities, as represented by high-quality contributions to this Special Issue, will constitute puzzle pieces toward the realization of the dream of a fully integrated, predictive computational materials design.
Predictive simulation of materials behavior requires a physically appropriate integrated modeling base, consisting of thermodynamics, the kinetics of alloy phase transformations, models for the evolution of the microstructure, crystal plasticity modeling such as dislocation dynamics, and models for the evaluation of mechanical properties.
This Special Issue aims to collect predictive modeling approaches, allowing for an in‐depth understanding of microstructural trends and their consequences for macroscopic materials properties and their multicomponent and multimaterials extensions toward predictions for real technological materials.
A major research task refers to the assessment of the role of local chemical and microstructural heterogeneities as well as defects and interfaces and their dynamics for materials properties and materials behavior during thermomechanical treatment.
Moreover, this issue will be open to pressing issues which are important in the scope of sustainability of multicomponent/multimaterial technological systems, namely, the microstructural and/or functional degradation (resistance) under varying thermomechanical treatments, thermal cycling, holding and operating times, and load. Answers to these questions require a deeper understanding of the coupling between materials composition variations, heat treatment, phase stabilities and phase evolution, and strengthening and mechanical materials response.
Dr. Erwin Povoden-Karadeniz
Guest Editor
Manuscript Submission Information
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Keywords
- computational materials engineering
- phase transformation
- stability
- thermokinetics
- strengthening
- mechanical properties
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