Piezo‐elasticity and stability limits of monocrystal methane gas hydrates: Atomistic‐continuum characterization
Bibliographic record
Abstract
Abstract Gas hydrates are guest‐host crystalline materials formed by water cages and guest gases such as methane and carbon dioxide under simultaneously relative high‐pressure and low‐temperature conditions. With this unique guest‐host structural feature, gas hydrates can be used for gas storage and carbon dioxide (CO 2 ) sequestration, creating challenges such as flow assurance and geological stability. Some of these challenges are related to material instabilities caused by changing external conditions. Thus, this paper aims to determine the theoretical pressure stability limits of monocrystal defect‐free sI methane gas hydrates at 0 K using accurate density functional theory to simulate the hydrate's thermodynamic and elastic responses under varying pressures. The pressure stability limits are determined by Born stability criteria and piezo sensitivity factors. The important brittle‐to‐ductile transitions of gas hydrates are established. Also, polycrystalline mechanical properties, including the Poisson ratio and Young modulus, are calculated from the second‐order elastic constants obtained from the monocrystal sI methane hydrates, which provide the upper bounds. Taken together, the piezo‐sensitivity of a complete set of elastic properties of sI methane gas hydrates and material stability limits determined by atomistic calculations provide new data and fundamental understanding for technological applications.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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 | 0.001 |
| 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 source (direct Gemma or distilled Codex), 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".