The structure of deuterated methane–hydrate
Bibliographic record
Abstract
We present the results of a high-resolution neutron diffraction experiment with a fully deuterated methane hydrate type I at temperatures of 2, 100, and 150 K. Precise crystallographic parameters of the ice-like D2O lattice and the thermal parameters of the encaged methane molecules have been obtained. The parameters of the host lattice differ only slightly from values found for hydrates with asymmetric guests included, which leads to the conclusion that the host lattice of structure I is only a little adaptive. At low temperatures (2 K) the methane molecules in both types of cages present in structure I occupy positions in the center of the cages. At higher temperatures the thermal parameters in both types of cages reflect the surrounding cage geometries or more precisely the translational potentials of the cages. The orientational scattering length density of the CD4 molecules has been analyzed in terms of a multipole expansion with symmetry adapted functions [Press and Hüller, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. A29, 252 (1972); Press, ibid. A29, 257 (1972)]. In both types of cages we found only small modulations of a spherically symmetric scattering density accounting for almost free rotations of the methane molecules. The large and asymmetric cage leads to a somewhat more pronounced modulation of the orientational density than in the small dodecahedral cage. The orientational probability distribution function (PDF) remains nearly unchanged from 2 to 150 K. At 200 K we observed the time-resolved decomposition of the hydrate structure I into hexagonal ice Ih.
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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 | 0.000 | 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 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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".