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Rupesh Chafle

Publications and source records attributed to Rupesh Chafle.

3 recordsLinked to original sources

A multi-component phase-field model for T1 precipitates in Al-Cu-Li alloys

In this study, the role of elastic and interfacial energies in the shape evolution of T1 precipitates in Al-Cu-Li alloys is investigated using phase-field modeling. We employ a formulation considering the stoichiometric nature of the precipitate phase explicitly, including coupled equation systems for various order parameters. Inputs such as elastic properties are derived from DFT calculations, while chemical potentials are obtained from CALPHAD databases. This methodology provides a framework that is consistent with the derived chemical potentials to study the interplay of thermodynamic, kinetic, and elastic effects on T1 precipitate evolution in Al-Cu-Li alloys. It is shown that diffusion-controlled lengthening and interface-controlled thickening are important mechanisms to describe the growth of T1 precipitates. Furthermore, the study illustrates that the precipitate shape is significantly influenced by the anisotropy in interfacial energy and linear reaction rate, however, elastic effects only play a minor role.

cond-mat.mtrl-sci

Microstructure-property prediction of a Ni-based superalloy: A combined phase-field and finite element modelling approach

Multiscale modelling is a new paradigm that has emerged in recent times to study the well-known problem of the process-structure-property relationship in the area of materials science and engineering. For obtaining the desired performance for materials of strategic importance, such as superalloys, it is essential to bridge different length and time scales in order to navigate the entire design space. In the present study, we develop a physics-based model for a Ni-based superalloy where the microstructures simulated using a phase-field model serve as input to finite-element computations. We examine the alloy's microstructure evolution and effective elastic properties quantitatively via phase-field and finite element methods integrated with CALPHAD database, by varying composition and aging temperature. The phase-field simulations provide us with an insight into the different regimes of microstructure evolution. The finite element analysis uncovers the relation of effective elastic properties with several system parameters.

cond-mat.mtrl-sci

$\mu$2mech: a Software Package Combining Microstructure Modeling and Mechanical Property Prediction

We have developed a graphical user interface (GUI) based package $\mu$2mech to perform phase-field simulation for predicting microstructure evolution. The package can take inputs from ab initio calculations and CALPHAD (Calculation of Phase Diagrams) tools for quantitative microstructure prediction. The package also provides a seamless connection to transfer output from the mesoscale phase field method to the microscale finite element analysis for mechanical property prediction. Such a multiscale simulation package can facilitate microstructure-property correlation, one of the cornerstones in accelerated materials development within the integrated computational materials engineering (ICME) framework.

cond-mat.mtrl-sci