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Record W2041665100 · doi:10.1103/physrevb.67.224109

Charged lattice gas with a neutralizing background

2003· article· en· W2041665100 on OpenAlex
V. A. Levashov, M. F. Thorpe, B. W. Southern

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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenuePhysical review. B, Condensed matter · 2003
Typearticle
Languageen
FieldMaterials Science
TopicLayered Double Hydroxides Synthesis and Applications
Canadian institutionsUniversity of Manitoba
FundersDivision of ChemistryNatural Sciences and Engineering Research Council of CanadaMichigan State UniversityNational Science Foundation
KeywordsCoulombPhysicsMonte Carlo methodLattice (music)Hexagonal latticeIonGround stateCondensed matter physicsQuantum mechanicsMathematicsElectronAntiferromagnetism

Abstract

fetched live from OpenAlex

We study a model that was first introduced to describe the ordering of two different types of positive ions in the metal planes of layered hydroxides ${\mathrm{Ni}}_{1\ensuremath{-}x}{\mathrm{Al}}_{x}(\mathrm{OH}{)}_{2}({\mathrm{CO}}_{3}{)}_{x/2}\ensuremath{\cdot}y{\mathrm{H}}_{2}\mathrm{O}.$ The ordering is assumed to occur due to long-range Coulomb interactions, and overall charge neutrality is provided by a negative background representing the hydroxide planes and ${\mathrm{CO}}_{3}^{2\ensuremath{-}}$ anions. The previous study was restricted to the ground-state properties. Here we use a Monte Carlo technique to extend the study to finite temperatures. The model predicts that, at some values of the concentration x, the system can exhibit an instability and phase separate. In order to evaluate the precision of these Monte Carlo procedures, we first study a linear chain with finite-range interactions where exact solutions can be obtained using a transfer-matrix method. For a linear chain with infinite-range interactions, we use a devil's staircase formalism to obtain the dependence of the energy of the equilibrium configurations on x. Finally we study the two-dimensional triangular lattice using the same Monte Carlo techniques. In spite of its simplicity, the model predicts multiple first-order phase transitions. The model can be useful in applications such as modeling of the ordering of intercalated metal ions in positive electrodes of lithium batteries or in graphite.

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 categoriesInsufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
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 score0.168
Threshold uncertainty score0.996

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)0.0050.008

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 head0.029
GPT teacher head0.304
Teacher spread0.275 · 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