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Record W2057978458 · doi:10.1103/physrevb.74.073412

Transition state theory of the preexponential factors for self-diffusion on Cu, Ag, and Ni surfaces

2006· article· en· W2057978458 on OpenAlex
Lingti Kong, Laurent J. Lewis

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

VenuePhysical Review B · 2006
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversité de MontréalRegroupement Québécois sur les Matériaux de Pointe
Fundersnot available
KeywordsTransition state theoryDiffusionMaterials scienceCondensed matter physicsThermodynamicsSelf-diffusionState (computer science)Statistical physicsMolecular dynamicsChemical physicsPhysicsKineticsQuantum mechanicsMathematicsComputer science

Abstract

fetched live from OpenAlex

The preexponential factors for self-diffusion via hopping and/or exchange on the (001), (110), and (111) surfaces of Cu, Ag, and Ni are examined within transition state theory. The calculations show that the prefactors have a weak temperature dependence above room temperature, and that within transition state theory, the Vineyard method provides a rather accurate description of them. It is also found that the present approach is able to predict prefactors within the same precision as those obtained from molecular-dynamics simulations, and better than those derived from the thermodynamical properties when the contributions from the substrate are neglected.

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)0.000
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: Empirical · Consensus signal: Empirical
Teacher disagreement score0.425
Threshold uncertainty score0.362

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 head0.009
GPT teacher head0.261
Teacher spread0.252 · 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