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Record W2093394971 · doi:10.1063/1.3599048

A new grand canonical ensemble method to calculate first-order phase transitions

2011· article· en· W2093394971 on OpenAlexaff
Yiping Tang

Bibliographic record

VenueThe Journal of Chemical Physics · 2011
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Thermodynamics and Statistical Mechanics
Canadian institutionsHoneywell (Canada)
Fundersnot available
KeywordsGrand canonical ensembleCanonical ensemblePartition function (quantum field theory)van der Waals forcePhase transitionMicrocanonical ensembleStatistical physicsDensity functional theoryPartition (number theory)PhysicsMathematicsThermodynamicsQuantum mechanicsMoleculeCombinatorics

Abstract

fetched live from OpenAlex

A theory about first-order phase transition of pure fluids is proposed. The theory is developed by combining grand canonical ensemble with density functional for homogeneous fluids. It is based on the fact that the grand partition function of one macroscopic volume is the product of the grand partition functions of its subvolumes. Density fluctuations of molecules determine the relation between the grand partition function and the free energy density. By combining pairs of subvolumes successively, the free energy density is transformed and rapidly becomes stationary. The stationary curve versus molecule density is convex and its linear segments represent phase transitions. The transform leads to the new grand canonical method to calculate phase equilibrium, which is more robust than classic ones. The transform suggests that classical van der Waals loop is physical and essential to phase transition.

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 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: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.834
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 communication0.0000.000
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 head0.023
GPT teacher head0.304
Teacher spread0.282 · 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 teacher head, not a consensus.

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

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

Citations12
Published2011
Admission routes1
Has abstractyes

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