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Crystal Period Vectors under External Stress in Statistical Physics

2020· preprint· en· W4252198796 on OpenAlexfundno aff
Gang Liu

Bibliographic record

VenuePreprints.org · 2020
Typepreprint
Languageen
FieldComputer Science
TopicNeural Networks and Applications
Canadian institutionsnot available
FundersQueen's UniversityAlbert-Ludwigs-Universität FreiburgWeizmann Institute of ScienceShanxi UniversityNortheast Normal UniversityUniwersytet Marii Curie-SkłodowskiejTemple UniversityUniversity of Wisconsin-MadisonUniversity of Southern California
KeywordsPeriod (music)PhysicsStatistical physicsCrystal (programming language)Classical physicsStress (linguistics)HarmonicQuantumTheoretical physicsQuantum mechanicsComputer science

Abstract

fetched live from OpenAlex

In crystal periodic structure prediction, a basic and general equation is needed to determine their period vectors (cell edge vectors), especially under arbitrary external stress. It was derived in Newtonian dynamics years ago, which can be combined with quantum physics by further modeling. Here a new and concise approach based on the principles of statistical physics was employed to derive it into a new form, then applicable to both classical physics and quantum physics by its own. The new form also turned out to be the specific explicit equilibrium condition and the equation of state for crystals under external stress and temperature. Contrary to a general belief, the new form also concluded that harmonic oscillators can cause crystal thermal expansion.

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)0.001
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: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0000.002
Scholarly communication0.0010.003
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.116
GPT teacher head0.347
Teacher spread0.230 · 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

Citations0
Published2020
Admission routes1
Has abstractyes

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Same venuePreprints.orgSame topicNeural Networks and ApplicationsFrench-language works237,207