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Meeting MS&T23: Materials Science & Technology
Symposium Computation Assisted Materials Development for Improved Corrosion Resistance
Presentation Title Nanoporous High Entropy Alloys: A New Class of Materials with Remarkable Mechanical and Corrosion Properties
Author(s) Celine Hin, Jarod Worden
On-Site Speaker (Planned) Celine Hin
Abstract Scope Nanoporous metallic materials (NPMM) exhibit high strength, low density, and a high surface-area-to-volume ratio, but are brittle at the macroscopic level. Single-phase high entropy alloys (HEAs) have exceptional structural characteristics with high strength, ductility, good fracture toughness, and resistance to corrosion and fatigue. Based on the high ductility of HEAs, we propose that HEAs would outperform existing NPMM. Using molecular dynamics (MD), simulations reveal that the specific modulus of our NPHEAs is three times higher than that of single-element NPMM. Its specific strength is seven times greater, approaching values comparable to bulk metals possessing the highest specific strength. We will present MD results for different NPHEAs and their effects on mechanical properties under thermal aging and neutron irradiation. We will also discuss the origin of their remarkable mechanical properties. Furthermore, we will provide evidence of their high corrosion resistance, even at high temperatures, and explain how it will be studied.


A Phase Field Model to Simulate Crack Initiation from Pitting Site in Isotropic and Anisotropic Elastoplastic Material
Atomic Origin of CO2-promoted Oxidation Dynamics of Chromia-forming Alloys
Classical Molecular Dynamics Simulation of Electrochemical Oxidation and Dissolution of Platinum Alloy Nanoparticles
Dissolution of Metal Nanoparticles in Solution: Atomic-scale Computational Investigation
Fundamental Design of Alloys Resistant to H-embrittlement: Simulation Insights on Nanoscale H-defects Interactions
Investigate the Interfacial Behavior between Molten Fluoride Salt and Ni-Cr Alloy with ReaxFF Molecular Dynamics
Modeling Changes in Scale Formation on Copper-nickel Alloys in Response to Environment Changes
Nanoporous High Entropy Alloys: A New Class of Materials with Remarkable Mechanical and Corrosion Properties
On the Effects of Texture and Grain Morphology on Hydrogen Transport Towards Notch Tips
Phase-field Modeling of Internal Oxidation in High-temperature Ni-Cr Alloys
Phase Field Modeling of Molten Salt Dealloying Corrosion of NiCr Alloys

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