Molecular dynamics (MD) simulations provide atomistic and coarse‐grained insight into polymer crystallisation, resolving nucleation, growth and lamellar assembly in semicrystalline polymers. By ...
Molecular dynamics (MD) simulations constitute a powerful atomistic tool for exploring the structural, thermal and mechanical behaviour of metallic alloys. By numerically integrating Newton’s ...
Molten carbon can crystallize into diamond or graphite, but it has been difficult to study this process. New simulations show that graphite can sometimes "hijack" the pathway that would lead to ...
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