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Meeting 2024 TMS Annual Meeting & Exhibition
Symposium Simulations/Experiments Integration for Next Generation Hypersonic Materials
Presentation Title Design and Rapid Solidification Analysis of Refractory Multi-principal Element Alloys
Author(s) Tatu Pinomaa, Joni Kaipanen, Lassi Linnala, Mikko Tahkola, Jukka Aho, Abhishek Biswas, Napat Vajragupta, Sicong Ren, Matti Lindroos, Kate Elder, Thomas Voisin, Aurelien Perron, Scott McCall, Joseph T. McKeown, Nikolas Provatas, Anssi Laukkanen
On-Site Speaker (Planned) Tatu Pinomaa
Abstract Scope Additive manufacturing of refractory multi-principal element alloys (RMPEA) faces challenges such as microcracking. To address this, we identify promising RMPEAs via machine-learning-accelerated computational thermodynamics screening, enriched with density functional theory based metrics of properties such as ductility. We perform a multiscale modeling analysis to explore the rapid solidification features of refractories using gaussian approximation potential molecular dynamics to extract solid-liquid interface energy and solute trapping behavior. Together with phase field crystal method, we analyze the resulting solidification defects, encompassing point defects, dislocations, and orientation gradients. On continuum scale, we couple phase field and crystal plasticity models to examine microstructural residual stresses and microcracking during processing, and perform property predictions. We discuss the role of ductile-to-brittle transition, and the alloy sensitivity to strain rate and elevated temperatures. Results are compared to experiments, and related to coupling across the presented models operating on different length and time scales.
Proceedings Inclusion? Planned:
Keywords Additive Manufacturing, ICME, High-Entropy Alloys


CALPHAD-based Thermal Conductivity Modeling Appended with Porosity Effects for Ultra-high Temperature Ceramics Suitable for Hypersonic Applications
Correlative Multiscale 3D Investigation of Damage in Angle-interlocked Ceramic Matrix Composites
Design and Rapid Solidification Analysis of Refractory Multi-principal Element Alloys
First-principles Calculations of Diffusion Coefficients in High-temperature Carbides
Foundational Molecular Dynamic Models and Experiments of SiC Oxidation for Materials Development in Extreme Environments
High-temperature Oxygen Plasma Experiments and Atomistic Simulations of Active Oxidation in Nanocrystalline SiC Woven Fibers
Mechanical and Structural Characterization of Ultra-fast Boriding Process on Refractory Metals
Mesoscale Thermomechanical Modeling of Woven Carbon Composites
Metal Di-boride (MB2 | M = Ti, Zr, Nb, Hf, Ta) Properties Above 3000 ˚C
Rapid Computational Design and Experimental Validation of Ductile High Entropy Alloys for Extreme Environments
Size Effect at High Temperature in Additive Metals

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