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Record W1975899453 · doi:10.1107/s0021889808016373

Maximum disorientation angles between crystals of any point groups and their corresponding rotation axes

2008· article· en· W1975899453 on OpenAlexaff
Youliang He, John J. Jonas

Bibliographic record

VenueJournal of Applied Crystallography · 2008
Typearticle
Languageen
FieldMaterials Science
TopicX-ray Diffraction in Crystallography
Canadian institutionsMcGill UniversityNatural Resources Canada
Fundersnot available
KeywordsStereographic projectionMisorientationRotation (mathematics)Angle of rotationGeometryMathematicsVertex (graph theory)Point (geometry)Bounded functionSymmetry (geometry)QuaternionPhysicsMathematical analysisCombinatoricsCrystallography

Abstract

fetched live from OpenAlex

The symmetry-reduced misorientation,i.e.disorientation, between two crystals is represented in the angle–axis format, and the maximum disorientation angle between any two lattices of the 32 point groups is obtained by constructing the fundamental zone of the associated misorientation space (i.e.Rodrigues–Frank space) using quaternion algebra. A computer program based on vertex enumeration was designed to automatically calculate the vertices of these fundamental zones and to seek the maximum disorientation angles and respective rotation axes. Of the C_{32}^2 = 528 possible combinations of any two crystals, 129 pairs give rise to incompletely bounded fundamental zones (i.e.zones having at least one unbounded direction inR3); these correspond to a maximum disorientation angle of 180° (the trivial value). The other 399 pairs produce fully bounded fundamental zones that lead to nine different nontrivial maximum disorientation angles; these are 56.60, 61.86, 62.80, 90, 90.98, 93.84, 98.42, 104.48 and 120°. The associated rotation axes were obtained and are plotted in stereographic projection. These angles and axes are solely determined by the symmetries of the point groups under consideration, and the only input data needed are the symmetry operators of the lattices.

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 imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.002
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.007
Threshold uncertainty score0.025

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0000.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0070.000

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 head0.015
GPT teacher head0.234
Teacher spread0.219 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designTheoretical or conceptual
Domainnot available
GenreEmpirical

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".

Quick stats

Citations4
Published2008
Admission routes1
Has abstractyes

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