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Record W4313169060 · doi:10.1063/5.0119407

Vibrational exciton transfer in a dimer chain coupled to thermal reservoirs

2022· article· en· W4313169060 on OpenAlexaff
Pablo Carpio‐Martínez, Gabriel Hanna

Bibliographic record

VenueAIP conference proceedings · 2022
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsPhononExcitonCoupling (piping)DimerThermal transferExcitationThermalAdiabatic processCondensed matter physicsChain (unit)Materials scienceMolecular physicsChemical physicsPhysicsThermodynamicsNuclear magnetic resonanceNanotechnologyQuantum mechanics

Abstract

fetched live from OpenAlex

Previously, we studied the effect of introducing acoustic phonons into a 1D dimer chain on the transfer of a vibrational exciton through the chain. We found that the excitation transfers across the chain on a 100 fs timescale when the phonons are present, in contrast to a 10 ps timescale in the absence of the phonons. Although the transfer was shown to be quite robust in the presence of weak disorder, the effect of coupling the chain to thermal reservoirs remained an open question. Herein, we study the effect of coupling the ends of the chain to thermal reservoirs at different temperatures via adiabatic mixed quantum-classical dynamics. Our results suggest that for a static chain (with no acoustic phonons) one could enhance the exciton transfer by increasing the chain-reservoir coupling strength regardless of the temperature gap between the reservoirs. In contrast, for a non-static chain (with acoustic phonons) the exciton transfer is not significantly affected by varying the coupling strength and temperature gap.

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)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

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)0.0020.000

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 head0.018
GPT teacher head0.252
Teacher spread0.233 · 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 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

Citations0
Published2022
Admission routes1
Has abstractyes

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