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Collision-based synthesis of diamond-graphite nanocomposites: computational investigation
Zuzanna Malinowska-Trzmielak1, Nicole Grobert2, Mark Wilson3
1Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford UK zuzanna.trzmielak@chem.ox.ac.uk.
RSC Advances
|July 28, 2026
Summary
Researchers explored a new method for synthesizing diamond-graphite nanocomposites by simulating particle collisions. This approach aims to control material properties by forming interfaces between diamond and graphite, avoiding bulk phase changes.
Area of Science:
- Materials Science
- Nanotechnology
- Computational Chemistry
Background:
- Diamond-graphite nanocomposites offer unique electronic and mechanical properties.
- Current synthesis methods lack control over phase proportions.
- High-pressure, high-temperature routes limit tunability.
Purpose of the Study:
- Investigate an alternative synthesis strategy for diamond-graphite nanocomposites.
- Explore collision-driven interfacial bonding under shock conditions.
- Provide a theoretical basis for controlled synthesis.
Main Methods:
- Molecular dynamics simulations of particle-particle impacts.
- Modeling simplified collision scenarios.
- Assessing interfacial bonding across various diamond facets and graphite orientations.
Main Results:
- Collision-induced interfacial heating can promote bond formation without disrupting domains.
- An average relative collision velocity of ~2500 m/s is estimated for coherent interface formation on hydrogen-terminated surfaces.
- Higher velocities lead to graphitic deformation and amorphization (~3246-3810 m/s).
Conclusions:
- Collision-driven interfacial reactions offer a viable alternative to bulk phase transformations for synthesizing diamond-graphite nanocomposites.
- This approach may allow for better control over domain size and phase composition.
- Potential synthesis techniques include thermal spraying and explosive powder compaction.
