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Supplementary information: Carbon-based tribofilms from friction- and pressure-induced synthesis (Nature 2016)

Summary

This corpus entry registers the Supporting Information (SI) PDF associated with the Nature article on carbon-based tribofilms formed under tribological stress (DOI 10.1038/nature18948). The SI is not a standalone scientific narrative: it expands experimental tribology protocols, materials synthesis details for coatings, and computational workflows that complement the main text. According to the SI table of contents, the package includes magnetron sputtering and characterization of MoN\(_x\)–Cu nanocomposite coatings, ball-on-disk friction and wear testing in PAO oil, electron microscopy of films and tribofilms, and extensive computational sections covering reactive force-field validation, ab initio molecular dynamics, and reactive MD analyses of tribochemical bonding on metal surfaces. This wiki page exists so the SI PDF remains discoverable and citable within the knowledge base while steering interpretive claims to the primary article.

Methods

This corpus PDF is the Supporting Information for the Nature article DOI 10.1038/nature18948 on carbon-based tribofilms formed under tribological contact. Per the SI organization, it documents experimental materials and testing—magnetron sputtering of MoN\(_x\)–Cu nanocomposite coatings, ball-on-disk friction and wear in PAO oil, and electron microscopy of films and tribofilms—and computational appendices including ReaxFF validation, ab initio molecular dynamics, and reactive MD workflows for tribochemical evolution on metal surfaces. Line-item MD/AIMD protocol (engine, cell sizes and stoichiometry, PBC, ensemble, timestep, run lengths, thermostat/barostat, temperature and pressure, shear or tribological driving, electrostatics, and any enhanced sampling) is N/A — not transcribed here; it appears in SI tables and figure captions in pdf_path.

Force-field training. N/A — the SI supports validation and application of ReaxFF in the parent study’s workflow, not a new public fit documented on this page.

Static QM / DFT. QM settings for AIMD/DFT benchmarks are N/A — not tabulated in this wiki note; read the SI and main letter.

Reviews. N/A — this is supplementary material, not a literature review.

MD protocol indexing (SI): Molecular dynamics, AIMD, and reactive MD segments in the SI use LAMMPS or other engines, supercell models with PBC, and typically NVT/NPT staging with stated timestep (fs), equilibration/production run lengths (ps/ns), thermostat and barostat/pressure control, and temperature (K) as tabulated in pdf_path. Line-by-line transcription is N/A — on this pointer page. Electric field driving and umbrella/metadynamics/replica-exchange workflows are N/A — unless the SI explicitly uses them.

Findings

Outcomes. Headline tribofilm chemistry, friction, and wear conclusions belong to the version-of-record Nature article; the SI provides supporting experimental detail and computational inputs.

Compared to the main letter, the SI foregrounds reproducibility (methods, tables, computational appendices) rather than new headline mechanisms. Limitations of using an SI-only ingest include missing publisher-byline metadata in frontmatter. Future work belongs to the Nature article’s outlook.

Limitations

SI-only ingest: always pair with the version-of-record article for conclusions; author list may be incomplete in frontmatter because the SI PDF metadata differs from the article byline.

Relevance to group

High-impact tribochemistry package with ReaxFF validation and reactive MD workflows on metal–lubricant interfaces, relevant to materials mechanics threads in the corpus.

Citations and evidence anchors