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Record W4389540757 · doi:10.17118/11143/21072

Molecular dynamics based study on the effect of hydrogen on themechanical properties of Fe-C system

2023· article· en· W4389540757 on OpenAlex

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

Venuenot available
Typearticle
Languageen
FieldMaterials Science
TopicMaterial Properties and Failure Mechanisms
Canadian institutionsSafran Electronics (Canada)Concordia University
FundersAlliance de recherche numérique du Canada
KeywordsMolecular dynamicsHydrogenDynamics (music)Materials scienceChemical physicsChemistryComputational chemistryPhysics

Abstract

fetched live from OpenAlex

Abstract: Hydrogen Embrittlement (HE) refers to the degradation of mechanical properties in metals due to the presence of absorbed hydrogen (H) atoms, as these are small and can easily diffuse into the solid metals. As a result, the metallic components can fail catastrophically during service due to HE. Steels susceptibility to HE is one of the main topics in current HE research as H has a high mobility in iron (Fe). In this paper, single crystal from the Fe-C and Fe-C-H systems are modelled using molecular dynamics (MD), in order to study the effects of H on the mechanical properties of the Fe-based materials. The single crystal is subjected to a tensile load in the longitudinal axis for the time necessary to detect differences in the deformation behavior of the material. Four main results are discussed: stress-strain response, change in phase distribution, change in vacancy count and dislocation density. Overall, results show a degradation in the mechanical properties with the random addition of H atoms into the Fe-C system, this degradation being more pronounced as H concentration increases: the peak stress and corresponding strain are reduced, vacancy formation is increased, and dislocation density is reduced. Additionally, a change in phase distribution with applied strain is observed.

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 score0.026
Threshold uncertainty score0.318

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 head0.018
GPT teacher head0.217
Teacher spread0.199 · 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