Assessing the oxidation states and structural stability of the Ce analogue of brannerite
Bibliographic record
Abstract
The Ce‐containing analogue of brannerite (ie, UTi 2 O 6 ) was previously considered to be stoichiometric (ie, CeTi 2 O 6 ); however, it has recently been determined that the material is O deficient. This oxygen‐deficient material has been suggested to be charged balanced by the presence of a minor concentration of Ce 3+ or by the A‐site being cation deficient with the Ce oxidation state being 4+. A variety of Ti‐containing oxides (including brannerite) have been investigated as potential nuclear wasteforms, and it is necessary to understand the electronic structure of a proposed nuclear wasteform material as well as how the structure responds to radiation from incorporated waste elements. The radiation resistance of a material can be simulated by ion implantation. The objective of this study was to confirm the Ce oxidation state in the cation‐ and oxygen‐deficient material (ie, Ce 0.94 Ti 2 O 6 − δ ) and to determine how radiation damage affects this material. X‐ray photoelectron spectroscopy (XPS) and X‐ray absorption near‐edge spectroscopy were used to study Ce 0.94 Ti 2 O 6 − δ before and after being implanted with 2 MeV Au − ions. Analysis of the Ce 3d XPS spectra from the as‐synthesized samples by using a previously developed fitting method has unequivocally shown that Ce adopts both 4+ (major) and 3+ (minor) oxidation states, which was confirmed by examination of magnetic susceptibility data. Analysis of XPS and X‐ray absorption near‐edge spectroscopy spectra from ion‐implanted materials showed that both Ce and Ti were reduced because of radiation damage and that the local coordination environments of the cations are greatly affected by radiation damage.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".