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Record W2557709404 · doi:10.1107/s205327331409247x

Structural Modifications of Cold and Dense Cesium, Calcium, Barium, and Selenium

2014· article· en· W2557709404 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueActa Crystallographica Section A Foundations and Advances · 2014
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicHigh-pressure geophysics and materials
Canadian institutionsUniversity of SaskatchewanUniversity of Ottawa
Fundersnot available
KeywordsBariumTetragonal crystal systemOrthorhombic crystal systemSeleniumCaesiumMaterials sciencePhase diagramPhase (matter)CrystallographyPhase transitionCrystal structureChemistryThermodynamicsInorganic chemistryMetallurgyPhysics

Abstract

fetched live from OpenAlex

Following the development of high brilliance synchrotron x-ray sources, high density crystalline structures of elemental solids have been vastly studied at room temperature and elevated pressures. In the last decades, experimental and computational results have unveiled a vast diversity of crystalline structures adopted by many dense elements. Both complex modulated and exotic structures have been observed [1] and predicted [2]. In this communication, we report results of systematic searches for structural modifications taking place at very low temperature (T>10 K) and high pressure (P<50 GPa) in selected elementals solids. Results for cesium, calcium, barium, and selenium are presented. An extension of the known P-T phase diagram to lower temperature for cesium and selenium indicates that both elements do not adopt crystalline structures different that those already known and documented. We show that calcium at low temperature and high pressure, however, exhibits unusual and large dynamical fluctuations leading to a tetragonal distortion of the simple cubic structure known to exist at room temperature and about 30 GPa. The large amplitude fluxional behaviour leads to the appearance of a new phase, nested at T<30K between 40 and 45 GPa. Finally, barium when compressed at low temperature, transforms into a crystalline structure unobserved at high pressure and room temperature. It is found that, below 140K and in the pressure range of 13 to 35 GPa, barium does not adopt the phase IV structure, i.e., the modulated incommensurate cell, but undergoes a transition from phase II (P63/mmc) to an orthorhombic (Pmna) cell. This new structure corresponds to phase VI. On the basis of an x-ray diffraction study along quasi-isobaric and isothermal paths, we conclude that Ba-VI is most likely metastable. Our results suggest the need to scrutiny other dense elements at very low temperature. Under those conditions, unusual structural modifications are ought to be observed.

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.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.607
Threshold uncertainty score0.410

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.011
GPT teacher head0.227
Teacher spread0.216 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it