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Meeting MS&T25: Materials Science & Technology
Symposium High-Entropy Materials: Solid Solutions, Intermetallics, Ceramics, Functional Materials and Beyond VI
Presentation Title Mn and Fe in Rock Salt Oxides: Thermodynamics-inspired High-Entropy Oxide synthesis
Author(s) Matthew Furst, Joseph Petruska, Dhiya Srikanth, Yueze Tan, Jacob T. Sivak, Gerald Bejger, Christina M. Rost, Susan B. Sinnott, Long-Qing Chen, Saeed S.I. Almishal, Jon-Paul Maria
On-Site Speaker (Planned) Matthew Furst
Abstract Scope Entropy-assisted synthesis stabilizes chemically disordered materials with properties distinct from their end members. The prototypical rock salt high-entropy oxide (HEO) MgCoNiCuZnO exemplifies this approach. Here, we construct phase diagrams that consider oxygen chemical potential to predict entropy-stabilized materials. Guided by these diagrams, we control oxygen level during synthesis and incorporate multivalent Mn and Fe into MgCoNiCuZnO – structures which are otherwise unstable in air. We synthesize seven equimolar single-phase rock salt compositions accommodating Mn and Fe using traditional firing techniques with binary oxide precursor powders. Results are confirmed by X-ray diffraction and fluorescence, and X-ray absorption fine structure spectra revealing predominantly divalent cations after reaction. Ultimately, we introduce oxygen chemical potential overlap as a key complementary descriptor for predicting HEO stability and synthesizability. Although we focus on rock salt HEOs, our methods provide a framework for navigating HEO thermodynamics and enabling a broader compositional range with contemporary property interests.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Methodological Study on Data Representation for Machine Learning Modelling of Thermal Conductivity of Rare-Earth Oxides
Active Learning Driven Materials Discovery for Low Thermal Conductivity Rare-Earth Pyrochlore-Oxide
Advanced Synthesis of Compositionally Complex Carbides Using Polymer-Derived Ceramics for Extreme Environmental Applications
Assessing Thin Films as Predictors of Bulk Properties in High-Throughput Alloy Design
Atomistic Modeling of Defect Energetics and Plasticity in CoCrFeMnNi Using a Moment Tensor Potential
BCC particle-induced distorted dislocation patterns and deformation twinning in the equiatomic FeCrNi alloy
Better, Faster Alloy Simulations: an Improved Hybrid MC/MD Algorithm for LAMMPS
Bridging Scales: A Deep Dive into Macroscopically Smooth Plastic Flow in Al-Containing High-Entropy Alloys
Co-existence of ferro-antiferromagnetism and transport properties in Fe2MnAl Heusler Alloy
Completely bypassing DFT calculations via graph neural networks for vacancy formation energies in high entropy alloys
Cryogenic deformation behavior of the L12-precipitation strengthened FeNiCrCu-based ferrous alloy
Defect-Driven Precipitation Pathways in a High Entropy Alloy: Interplay Between Recovery, Recrystallization, and Phase Evolution
Diffraction-guided understanding of materials processing in high-entropy alloys
Direct visualization of the existence of surface local chemical order in a high entropy CoCrFeMnNi alloy
Effect of Entropy-driven Phase Stabilization on Martensitic Transformation in Zr-Ti-Cu-Ni High-Entropy Alloys
Effects of Al addition in high-entropy alloys on the structure and properties
Electronic structure origin of the B2 phase stability among refractory metals
Electronic structure, a fundamental descriptor of elastic and plastic properties in BCC refractory alloys
Entropy Stabilized (Co,Cu,Ni,Mg,Zn)O: A Comprehensive Study of Cu-compositional Variation on Structure and Electrical Behavior
High Entropy Materials for Renewable Energy: Unique Electrochemical Application, Specialized Database and Universal Predictor
Influence of Ti on the microstructure and mechanical characteristics of (CrFeNiCu)100-xTix high entropy alloys
Investigation on Effect of Minor Elements in the Mechanical Behavior and Microstructure of (AlCoCrNi)100-xyMnxVy High-Entropy Alloys
Larger Than Uncorrelated Diffusion Contributions in Disordered Materials
Lattice distortion due to oxygen vacancies in MgO-based high entropy oxides from DFT
Local Disorder Effects on Structure–Property Correlations in Configurationally Enriched Yttrium Iron Garnets
Mechanocatalysis on NiCoCr alloy: An in-situ atomic force microscopy study of stress-induced tribofilm formation
Microstructural engineering for multi-phase high-entropy alloys
Microstructure-aware Bayesian Design of High Entropy Alloy Materials
Microstructure and Mechanical Properties of TiVNbMo Alloys
Mn and Fe in Rock Salt Oxides: Thermodynamics-inspired High-Entropy Oxide synthesis
Molecular dynamic studies of strain rate effects on screw dislocation mobility and glide mechanisms in bcc complex concentrated alloys
Precipitation Hardening Feasibility Within the D022 Phase Range of AlCrMoTiV High Entropy Alloys.
Recent Progress on Short-Range Atomic Ordering in High-Component Materials
Structural Evolution of Compositionally Complex Pyrochlore Oxides under Swift Heavy Ion Irradiation
Structural Systematics of a Fluorite-Type Solid Solution in Compositionally Complex Oxides
Systematic Investigation on the Mechanical and Deformation behavior of Additively Manufactured NiCoCr Alloy Under Various Environments
The role of precipitate size in cryogenic deformation mechanisms and mechanical properties of the L12-strengthened ferrous alloy
Tuning the structural and electronic properties of high entropy oxide thin films for water oxidation
Wear and oxidation mechanism transitions in MEAs and HEAs from room temperature to 1,000° C

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