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Record W1985826503 · doi:10.1063/1.1340606

The nematic-isotropic phase transition in semiflexible fused hard-sphere chain fluids

2001· article· en· W1985826503 on OpenAlex
K. M. Jaffer, Sheldon B. Opps, D. E. Sullivan, B. G. Nickel, L. Mederos

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

VenueThe Journal of Chemical Physics · 2001
Typearticle
Languageen
FieldMaterials Science
TopicMaterial Dynamics and Properties
Canadian institutionsUniversity of Guelph
Fundersnot available
KeywordsHard spheresLiquid crystalIsotropyTangentChain (unit)Monte Carlo methodVirial coefficientStatistical physicsPhysicsPhase transitionBinary numberExcluded volumePhase (matter)Classical mechanicsThermodynamicsCondensed matter physicsPolymerMathematicsQuantum mechanicsGeometry

Abstract

fetched live from OpenAlex

A density-functional theory of the isotropic–nematic phase transition in both rigid and semiflexible hard-sphere chain fluids is described. The theory is based on an exact analytical evaluation of the excluded volume and second virial coefficient B2 for rigid chain molecules, which demonstrates that B2 in these cases is equivalent to that of a binary mixture of hard spheres and hard diatomic molecules. It is assumed that the same binary-mixture representation applies to semiflexible chains, while scaled particle theory is used to obtain the properties of the fluid at arbitrary densities. The results of the theory are in very good agreement with Monte Carlo (MC) simulation data for rigid tangent hard-sphere chains, but in lesser agreement with available MC studies of rigid fused hard-sphere chains. We find that there is reasonable agreement between the theory and MC data for semiflexible tangent chains, which improves with increasing chain length. The behavior predicted by the theory for semiflexible chains is contrasted with that given by the Khokhlov and Semenov theory of nematic ordering of wormlike polymer chains.

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)0.001
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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.036
Threshold uncertainty score0.219

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 head0.020
GPT teacher head0.254
Teacher spread0.235 · 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