Molecular Dynamics Simulation of Collisions between Hydrogen and Graphite.pdfVIP

c 1 J. Plasma Physics (2005), vol. *, part *, pp. 1–4. 2005 Cambridge University Press DOI: 10.1017/S0000000000000000 Printed in the United Kingdom 6 0 Molecular Dynamics Simulation of 0 2 Collisions between Hydrogen and r Graphite p A A T S U S H I I T O1 and H I R O A K I N A K A M U R A2 6 2 1Department of physics, Graduate School of Science, Nagoya University, Chikusa, Nagoya 464-8602, Japan ] 2 t National Institute for Fusion Science, Oroshi-cho 322-6, Toki 509-5292, Japan f o s. (Received 29 August 2005 and accepted 16 December 2005) t a m Abstract. Hydrogen adsorption by graphite is examined by classical molecular - dynamics simulation using a modified Brenner REBO potential. Such interactions d are typical in chemical sputtering experiments, and knowledge of the fundamental n o behavior of hydrogen and graphene in collisional conditions is essential for modeling c the sputtering mechanism. The hydrogen adsorption rate is found to be dependent [ on the incident hydrogen energy and not on graphene temperature. Rather than 2 destroying the graphene, hydrogen incidence at energies of less than 100 eV can be v classified into three regimes of adsorption, reflection and penetration through one 3 or more graphene layers. Incidence at the lowest energies is shown to distort the 4 graphene structure. 5 4 0 6 0 / t 1. Introduction a m In chemical sputtering