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Record W2066253327 · doi:10.1002/cjce.21659

Non‐equilibrium molecular dynamics simulation of the thermocapillary effect

2012· article· en· W2066253327 on OpenAlexvenueaboutno aff
Holger A. Maier, P. Bopp, Manfred J. Hampe

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2012
Typearticle
Languageen
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsnot available
Fundersnot available
KeywordsMarangoni effectNon-equilibrium thermodynamicsMolecular dynamicsConvectionMechanicsConstant (computer programming)Temperature gradientThermodynamicsStatistical physicsDynamics (music)Materials scienceChemistryPhysicsComputer scienceMeteorologyComputational chemistry

Abstract

fetched live from OpenAlex

Abstract We report on extended computer simulations of the thermocapillary effect in a model liquid biphasic mixture by employing a nonequilibrium molecular dynamics (NEMD) technique. It maintains a constant temperature gradient in the simulated system. We discuss the methodology used and report, after a careful analysis of the uncertainties inherent to such simulations, first results. The main feature is a stable roll cell convection with flows from hot to cold in the vicinity of the interfaces. This basic pattern persists in systematic variations of the temperature gradients, the size of the simulated systems and several other parameters. We thus assume to be dealing with Marangoni flows (thermocapillary effect) at the microscopic level. © 2012 Canadian Society for Chemical Engineering

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: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.176
Threshold uncertainty score0.155

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 head0.005
GPT teacher head0.186
Teacher spread0.181 · 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 designSimulation or modeling
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

Citations8
Published2012
Admission routes2
Has abstractyes

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