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pro vyhledávání: '"Sierra Jubin"'
Publikováno v:
Frontiers in Physics, Vol 10 (2022)
Though weak surface interactions and adsorption can play an important role in plasma processing and materials science, they are not necessarily simple to model. A boron adatom adsorbed on a graphene sheet serves as a case study for how carefully one
Externí odkaz:
https://doaj.org/article/e24b4f652eab4065b6aa67a180916965
Publikováno v:
Frontiers in Physics, Vol 10 (2022)
The molecular dynamics code LAMMPS was used to simulate the bombardment of a graphite structure by atomic boron with impact energies ranging from 50–250 eV. The transient structural evolution, penetration depth, and amorphous layer thickness were a
Externí odkaz:
https://doaj.org/article/a4fcbfee3b9a41dd8a01ceafdc7f6175
Autor:
Sierra Jubin, Yuri Barsukov, Igor Kaganovich, Omesh Dwivedi, Alexander Khrabry, Stephane Ethier
Publikováno v:
Nanotechnology. 32:475604
We performed integrated modelling of the chemical pathways of formation for boron nitride nanotube (BNNT) precursors during high-temperature synthesis in a B/N2 mixture. Modelling includes quantum chemistry, quantum-classical molecular dynamics, ther