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Meeting MS&T23: Materials Science & Technology
Symposium Computational Discovery, Understanding, and Design of Multi-principal Element Materials
Presentation Title Phase Field Simulation of AgCuNi Ternary Alloy: Exploring Ag-CuNi Precipitation and Immiscibility
Author(s) Serzat Safaltin, Pamir Alpay
On-Site Speaker (Planned) Serzat Safaltin
Abstract Scope This study employs a phase field (PF) simulation to examine the precipitation of Ag and CuNi phases in an AgCuNi ternary alloy and its relationship with immiscibility. AgCuNi alloys exhibit a unique combination of electrical and thermal conductivity, mechanical strength, and corrosion resistance, making them suitable for various applications. However, immiscibility between Ag and CuNi phases can cause phase separation and distinct precipitation, affecting the material's properties. Our PF model integrates thermodynamic and kinetic data from ab initio calculations and the CALPHAD database, accounting for factors such as concentration gradients, phase interfaces, and elastic strain energy. The simulation provides spatiotemporal evolution of PFs under different processing conditions, revealing separate Ag and CuNi precipitates. This work enhances our understanding of phase separation and precipitation processes in AgCuNi ternary alloys, offering insights for developing advanced materials with tailored properties for various applications.


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Ab-Initio Investigation of Jahn-Teller Distortions within High Entropy Oxide Systems Using Recently Developed Meta-GGA Functionals
Charge-Density based Convolutional Neural Networks for Property Prediction in High Entropy Alloys
Computational Microstructural Design for Multi-phase Multi-principal Element Alloys
Computational Studies of Deformation Twinning in BCC Complex Concentrated Alloys
Critical Shear Stress Distribution and Average Dislocation Mobility in FeNiCrCoCu High Entropy Alloys Computed via Atomistic Simulations
Effect of Elasticity in Microstructural Evolution of Multi-component, Multi-phase System
Effects of Chemical Short-range Order in Medium Entropy Alloy CoCrNi
First-principles Study for Discovery of High-entropy MXenes
Hybrid Machine Learning Approach for Designing Refractory High Entropy Alloys
Microstructural Engineering via Heat Treatments in Multi-principal Element Alloy Systems with Miscibility Gaps
Modelling and Simulation on Mechanical Behavior of High-entropy Alloys
Phase Field Simulation of AgCuNi Ternary Alloy: Exploring Ag-CuNi Precipitation and Immiscibility
Predicting Ideal Shear Strength of Dilute Multicomponent Ni-based Alloys by an Integrated First-principles, CALPAHD, and Correlation Analysis
The Elastic Properties and Stacking Fault Energy of FeNiMoW
Yield Strength-Plasticity Trade-off and Uncertainty Quantification in ML-based Design of Refractory High-entropy Alloys

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