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Meeting Materials Science & Technology 2019
Symposium Phase Transformations in Ceramics: Science and Applications
Presentation Title Phase Transitions in Hollandite Oxides with Nanoscale Chemical Ordering
Author(s) Scott Misture, Robert Koch, Jake Amoroso, Kyle Brinkman, Mingyang Zhao
On-Site Speaker (Planned) Scott Misture
Abstract Scope The structures of most multicomponent oxides have been described using traditional crystallography. However, some oxides demonstrate nanoscale chemical ordering, which must be described using supercell models to define the chemical clustering. We have recently discovered nanoscale chemical clustering in hollandite oxides, which contain 1-D tunnels that accommodate guest ions and are of high interest in nuclear waste sequestration, particularly for 137Cs entrapment. We have studied for example Al/Ti in Ba0.33Cs1.0Al1.67Ti6.33O16, as well as the bulk phase transitions that occur on heating. X-ray pair distribution functions were modeled using supercells in a Reverse Monte Carlo approach, complemented by high temperature laboratory powder diffraction. Thus we describe the nanoscale ordering above/below phase transitions, as well as during synthesis, and find clear connections to Cs ion release rates. DFT models and thermodynamic measurements of stability strengthen arguments about the importance of nanoscale disorder.
Proceedings Inclusion? Definite: At-meeting proceedings

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Avoiding Transformation-induced Cracking in ZrO2 Shape-memory Ceramics: Constraints, Surfaces and Interfaces
Changes to the Local Environment during the Entropic Phase Transformation in High Entropy Oxides
Direct Conversion of Heat to Electricity using First-order Phase Transformations in Ferroelectrics
Effect of Microstructure on Cyclic Phase Transformation Behavior in Shape Memory Zirconia
Exploring 3-D Reciprocal Space: a Powerful Tool to Answer Basic and Applied Materials Science Questions at 33BM APS
Ferroelectric Phase Transition in Tungsten Trioxide Gas Sensors
First-principles Investigation of Phonon Instabilities and Displacive Phase Transitions in CaTiO3-perovskites
First principles Investigation into the Phase Stability and Enhanced Hardness of TiN-ScN and TiN-YN Alloys
In-situ Observations of Phase Transformations on Individual Particles of a Cu/Fe Oxygen Carrier during High-temperature Oxidation and Reduction Cycles
In-situ Phase Diagram Determination of the HfO2-Ta2O5-TiO2 Ternary Up to 3000 ˚C
In-situ X-ray Characterization of Phase Evolution during Solid-state Synthesis of Multicomponent Systems
In Situ Investigation of Stress-Induced Martensitic Transformation in Granular Shape Memory Ceramics
Influence of Annealing Temperature and Time on Phase Stability and Fracture Toughness of Rare-earth Stabilized Zirconia
Investigations on the Glass Transition and Crystallisation Behavior of Glasses by Oscillatory Rheometry
Meso- and Micro-structural Design and Processing of Shape-Memory and Superelastic Bulk Ceramics
Phase Transformations in High-entropy, Lanthanide Oxides
Phase Transitions in Hollandite Oxides with Nanoscale Chemical Ordering
Precipitation in Metal-Ceramic Systems Under Reducing Conditions
Prediction of Diffusionless Phase Transformation by Determination of the Orientation Relationship, Shear, and Motif Translation with the Smallest Atom Shuffles
Pseudo-single Crystal Growth of Cobalt Dititanate, an Entropy Stabilized Compound
Reactive Texturing of Yttria and Ceria TZP in a Strong Magnetic Field
Realizing Novel Defect Ordering in Yttria Stabilized Zirconia via Ion Radiation
Single Phase Spinel Produced from Powders of Alumina and Magnesia in Reactive Flash Sintering
The Effect of Zr4+ Co-Substitution on the Phase Transition and Thermal Expansion Properties of RENbO4 Materials (RE = La3+, Dy3+, Y3+)
Thermal Expansion and Phase Transformation Mechanism in the Lanthanide Di-titanate System
Topotactic Motif and Orientation Relation Extraction for Phase Transformations from In-Situ X-ray Powder Diffraction
Unraveling Stress-induced Structure Evolution in Functional Oxides using In-situ Neutron Diffraction

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