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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Thermodynamics and Kinetics of Alloys
Presentation Title Thermal Grooving and Grain Growth in a Polycrystalline Thin Film: A Phase-field Study
Author(s) Miral Verma, Sandeep Sugathan, Saswata Bhattacharya, Rajdip Mukherjee
On-Site Speaker (Planned) Rajdip Mukherjee
Abstract Scope In this study, we aim to study the effect of thermal grooving on grain boundary motion and explore the effects of film thickness, surface/grain boundary energy, and surface mobility on grain growth. Towards achieving this goal, a three-dimensional phase-field model is employed that can simulate concurrent curvature-driven grain growth and surface-diffusion-controlled thermal grooving. The simulated surface profile for a bicrystal shows excellent agreement with Mullins’ classical theory of mobile grooves for any groove shape. We also report the existence of a universal behavior of a mobile thermal groove. In polycrystalline thin films, we find that with the decrease in film thickness, the degree of stagnation increases, manifested by an increase in deviation from the ideal grain growth behavior. We observe that complete stagnation of grain structure is only possible when all the grains are larger than a critical grain size that corresponds to a critical grain boundary curvature.
Proceedings Inclusion? Planned:
Keywords Thin Films and Interfaces, Computational Materials Science & Engineering, Modeling and Simulation

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Accelerated CALPHAD-based Design of a 7xxx High Strength Aluminum Plate Alloy
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CALPHAD and Data-driven Approach for Phase Prediction Model in Refractory High-entropy Alloys
Density-based Phase-field Modelling of the Interplay between Grain Boundary Segregation Transition and Structure
Effect of N and/or B Additions on the Precipitation Kinetics in Isothermally Aged and Creep Ruptured 347H Stainless Steels
Effect of Ti on the Diffusional Growth of A15 Nb3Sn
Evaluation and Assessment of Interdiffusion Coefficients and Atomic Mobility in FCC Al-Cu-V
Experimental Investigation and Thermodynamic Assessment of the Cr-Si Binary System
First-principles Based Calculation of Thermodynamic and Kinetic Properties in Non-Dilute Mg Alloys Using CASM
First-principles Calculations and Thermodynamic Modeling of the Mg-In System with Order-disorder Transitions
High-throughput Design of Multi-principal Element Alloys with Spinodal Decomposition Assisted Microstructures
Impact of Magnetic Excitation and Transition on Atomic Diffusion in Fe Alloys
Improvement of Co-Cr-Ni-Ta Mobility Descriptions
Interfacial and Volumetric Melting Regimes of Sn Nanoparticles
Interfacial Properties and Crystal Growth of Ni, Ti and Ni50Al50 from Molecular Dynamics Simulations
Low Temperature Phase Equilibria Investigation and Phase Identification in the Cu-In-Sn System
Microstructural Design via Spinodal-mediated Phase Transformation Pathways in High-entropy Alloys (HEAs) Using Phase-field Modelling
On the Effect of Different Elements on the Phase Stability of Bulk γ Alloys, Which Compositions Were Derived from Co-base Superalloys
Phase diagram determination of ternary systems for understanding the TCP phase formation in Ni-based superalloys
Prediction of the Microstructure and Corrosion Behavior for the CoyCryFeyMnyNix High-Entropy Alloys by the CALPHAD Method
Study on Densification Kinetics of the Binder Jetted Fine 316L SS Powder
Symbolic Regression Search for a General Free Energy Function for BCC Alloys
The Selection of Solidification Pathway in Rapid Solidification Processes
Thermal Grooving and Grain Growth in a Polycrystalline Thin Film: A Phase-field Study
Thermodynamic Assessment of the V-Ti-B System
Thermodynamic Assessments and Experimental Validation of Iron “Impurity” in Cast Aluminum Alloys
Thermodynamics and Kinetics of Li-metal Alloys
Tunable Heterogeneous Microstructures in a High Throughput Architecture
Understanding Precipitation and Age Hardening Of FeCrAl Alloy Using Explainable Artificial Intelligence

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