Molecular dynamics simulation of energy exchanges during hydrogen collision with graphite sheets

Journal Article · Tue Jun 15 00:00:00 EDT 2010 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3428447· OSTI ID:21476290

Jizhong, Sun; Shouyang, Li; Dezhen, Wang ^[1]; Stirner, Thomas ^[2]; Junlin, Chen ^[3]

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1. Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Ministry of Education), School of Physics and Optoelectronic Technology and College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China)
2. University of Applied Sciences Deggendorf, Edlmairstr. 6-8, D-94469 Deggendorf (Germany)
3. Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China)

Experiments show that the energy of particles incident on divertor plates in fusion devices seldom exceeds 100 eV. Trim code and its variants are not suitable to predict the sputtering yield of carbon-based divertor plates for this energy range and, therefore, a dynamic model, taking into account the C-H bond formation and breaking, and the structure of carbon, is needed. In this paper, the molecular dynamics method is employed to investigate collision processes between incident hydrogen atoms and a graphene sheet. The simulation results demonstrate that the collision processes cannot be adequately described by a simple binary approximation. The energy transfer from the projectile to the graphite sheet exhibits a very complicated behavior when the kinetic energy of the incident hydrogen atom is below 30 eV, strongly depending on the impact position. When its kinetic energy is lower than 0.35 eV, the incident hydrogen is always reflected back from the single, perfect graphite sheet; when its kinetic energy is higher than 0.35 eV, then whether the incident particle penetrates the graphite sheet, is reflected back or is adsorbed depends on the impact position. In certain areas of the graphite sheet, either adsorption or reflection of an incident hydrogen atom can occur in two different energy ranges.

• OSTI ID: 21476290
• Journal Information: Journal of Applied Physics, Vol. 107, Issue 11; Other Information: DOI: 10.1063/1.3428447; (c) 2010 American Institute of Physics; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY
ADSORPTION
ATOM COLLISIONS
DIVERTORS
ENERGY TRANSFER
EV RANGE
GRAPHITE
HYDROGEN
MOLECULAR DYNAMICS METHOD
PLASMA SIMULATION
PLATES
REFLECTION
SHEETS
SPUTTERING
THERMONUCLEAR DEVICES
THERMONUCLEAR REACTOR MATERIALS
THERMONUCLEAR REACTORS
WALL EFFECTS
CALCULATION METHODS
CARBON
COLLISIONS
ELEMENTS
ENERGY RANGE
MATERIALS
MINERALS
NONMETALS
SIMULATION
SORPTION