Atomic scale friction studies on single crystal GaAs using AFM and molecular dynamics simulation

Journal article


Fan, P., Goel, S., Luo, X. and Upadhyaya, H. (2021). Atomic scale friction studies on single crystal GaAs using AFM and molecular dynamics simulation. Nanomanufacturing and Metrology. https://doi.org/10.1007/s41871-021-00109-3
AuthorsFan, P., Goel, S., Luo, X. and Upadhyaya, H.
Abstract

This paper provides a fresh perspective and new insights on the nanoscale friction investigated using molecular dynamics simulation and atomic force microscope (AFM) nanoscratch experiments. The work considered Gallium Arsenide, an important III-V direct bandgap semiconductor material residing in the zinc-blende structure as a reference sample material due to its growing usage in 5G communication devices. In the simulations, the scratch depth was tested as a variable in the fine range of 0.5 nm to 3 nm to understand the behaviour of material removal as well as to gain insights into the nanoscale friction. Scratch force, normal force and average cutting forces were extracted from the simulation to obtain two scalar quantities namely, the scratch cutting energy (defined as the work done in removing a unit volume of material) and kinetic coefficient of friction (defined as the force ratio). A strong size effect was observed for scratch depths below 2 nanometres from the MD simulations and about 15 nm from the AFM experiments. A strong quantitative corroboration was obtained between the MD simulations and the AFM experiments in the specific scratch energy and more qualitative corroboration with the pile up and the kinetic coefficient of friction. This conclusion suggested that the specific scratch energy is insensitive to the tool geometry and the speed of scratch used in this investigation but the pile up and kinetic coefficient of friction are dependent on the geometry of the tool tip.

KeywordsAFM nanoscratching; Molecular dynamic (MD) simulation; Single crystal gallium arsenide, Friction
Year2021
JournalNanomanufacturing and Metrology
PublisherSpringer
Digital Object Identifier (DOI)https://doi.org/10.1007/s41871-021-00109-3
Web address (URL)https://www.springer.com/journal/41871
Publication dates
Print10 Jul 2021
Publication process dates
Accepted05 Jun 2021
Deposited07 Jun 2021
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Kumar, DK, Suazo-Davila, D, García-Torres, D, Cook, NP, Ivaturi, A, Hsu, MH, Martí, AA, Cabrera, CR, Chen, B, Bennett, N and Upadhyaya, HM (2019). Low-temperature titania-graphene quantum dots paste for flexible dye-sensitised solar cell applications. Electrochimica Acta. 305, pp. 278-284. https://doi.org/10.1016/j.electacta.2019.03.040
Scalable screen-printing manufacturing process for graphene oxide platinum free alternative counter electrodes in efficient dye sensitized solar cells
Kumar, DK, Swami, SK, Dutta, V, Chen, B, Bennett, N and Upadhyaya, HM (2019). Scalable screen-printing manufacturing process for graphene oxide platinum free alternative counter electrodes in efficient dye sensitized solar cells. FlatChem. 15, pp. 100105-100105. https://doi.org/10.1016/j.flatc.2019.100105
Screen printed tin selenide films used as the counter electrodes in dye sensitized solar cells
Kishore Kumar, D, Popuri, SR, Swami, SK, Onuoha, OR, Bos, JW, Chen, B, Bennett, N and Upadhyaya, HM (2019). Screen printed tin selenide films used as the counter electrodes in dye sensitized solar cells. Solar Energy. 190, pp. 28-33. https://doi.org/10.1016/j.solener.2019.07.066
Fabrication of functionalised surfaces on Gum metal (Ti-30Nb) using micromachining
Hawi, S., Dickins, A., Pardal, G.R., Giusca, C., Pearce, O. and Goel, S. (2019). Fabrication of functionalised surfaces on Gum metal (Ti-30Nb) using micromachining . euspen’s 19th International Conference & Exhibition, Bilbao, ES, June 2019. Bilbao 03 - 07 Jun 2019 EUSPEN.
Suppressing the Use of Critical Raw Materials in Joining of AISI 304 Stainless Steel Using Activated Tungsten Inert Gas Welding
Balos, S., Dramicanin, M., Janjatovic, P., Zabunov, I., Pilic, B., Goel, S. and Szutkowska, M. (2019). Suppressing the Use of Critical Raw Materials in Joining of AISI 304 Stainless Steel Using Activated Tungsten Inert Gas Welding. Metals. 9 (11), p. 1187. https://doi.org/https://doi.org/10.3390/met9111187
The role of high-pressure coolant in the wear characteristics of WC-Co tools during the cutting of Ti–6Al–4V
Stolf, P., Paiva, J.M., Ahmed, Y.S., Endrina, J.L., Goel, S. and Veldhuis, S.C. (2019). The role of high-pressure coolant in the wear characteristics of WC-Co tools during the cutting of Ti–6Al–4V. Wear. 440-441, p. 203090. https://doi.org/10.1016/j.wear.2019.203090
Molecular dynamics simulation of the elliptical vibration assisted machining (EVAM) of pure iron
Goel S, Martinez FD, Chavoshi SZ, Khatri N and Giusca C (2018). Molecular dynamics simulation of the elliptical vibration assisted machining (EVAM) of pure iron. Journal of Micromanufacturing. 1 (1), pp. 6-19. https://doi.org/10.1177/2516598418765359
The possibility of performing FEA analysis of a contact loading process fed by the MD simulation data
Goel S, Iñigo Llavori AZ, Giusca C, Veldhuis SC and Endrino JL (2018). The possibility of performing FEA analysis of a contact loading process fed by the MD simulation data. International Journal of Machine Tools and Manufacture. 134, pp. 79-80. https://doi.org/10.1016/j.ijmachtools.2018.07.003
Incipient plasticity in tungsten during nanoindentation: Dependence on surface roughness, probe radius and crystal orientation
Beake B and Goel, S. (2018). Incipient plasticity in tungsten during nanoindentation: Dependence on surface roughness, probe radius and crystal orientation. International Journal of Refractory Metals and Hard Materials. 75, pp. 63-69. https://doi.org/https://doi.org/10.1016/j.ijrmhm.2018.03.020
Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten
Goel, S., Cross, G., Stukowski, A., Gamsjager, E., Beake, B. and Agrawal, A. (2018). Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten. Computational Materials Science. 152, pp. 196-210. https://doi.org/https://doi.org/10.1016/j.commatsci.2018.04.044
Current trends and future of sequential micro-machining processes on a single machine tool
Chavoshi, S.Z., Goel, S. and Morantz, P. (2017). Current trends and future of sequential micro-machining processes on a single machine tool. Materials & Design. 127, pp. 37-53. https://doi.org/10.1016/j.matdes.2017.04.057
Cyclic nanoindentation and nano-impact fatigue mechanisms of functionally graded TiN/TiNi film
Faisal NH, Prathuru AK, Goel S, Ahmed R, Droubi MG, Beake BD and Fu YQ (2017). Cyclic nanoindentation and nano-impact fatigue mechanisms of functionally graded TiN/TiNi film. Shape Memory and Superelasticity. 3, pp. 149-167. https://doi.org/10.1007/s40830-017-0099-y
Addressing the discrepancy of finding equilibrium melting point of silicon using MD simulations
Chavoshi SZ, Xu S and Goel S (2017). Addressing the discrepancy of finding equilibrium melting point of silicon using MD simulations. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. https://doi.org/10.1098/rspa.2017.0084
Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation
Chavoshi, S.Z., Goel, S. and Luo, X. (2016). Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation. Journal of Manufacturing Processes. 23, pp. 201-210. https://doi.org/10.1016/j.jmapro.2016.06.009
Advances in the surface defect machining (SDM) of hard steels
Rashid, W.B. and Goel, S. (2016). Advances in the surface defect machining (SDM) of hard steels. Journal of Manufacturing Processes. 23, pp. 37-46. https://doi.org/10.1016/j.jmapro.2016.05.007
Influence of microstructure on the cutting behaviour of silicon
Goel, S., Kovalchenko, A., Stukowski, A. and Cross, G. (2016). Influence of microstructure on the cutting behaviour of silicon. Acta Materialia. 105, pp. 464-478. https://doi.org/10.1016/j.actamat.2015.11.046
Investigating the emission characteristics of single crystal YAG when activated by high power laser beams
Salimian, A, Silver, J, Fern, GR, Upadhyaya, H, Metcalfe, A, Ireland, TG, Harris, P and Haghpanahan, R (2016). Investigating the emission characteristics of single crystal YAG when activated by high power laser beams. ECS Journal of Solid State Science and Technology. 5 (10), pp. R172-R177. https://doi.org/10.1149/2.0271610jss
Laser diode induced lighting modules
Salimian, A., Fern, G.R., Upadhyaya, H. and Silver, J. (2016). Laser diode induced lighting modules. ECS Journal of Solid State Science and Technology. 5 (3), pp. R26-R33. https://doi.org/10.1149/2.0101603jss
High mobility titanium-doped indium oxide for use in tandem solar cells deposited via pulsed DC magnetron sputtering
Grew, B, Bowers, JW, Lisco, F, Arnou, N, Walls, JM and Upadhyaya, HM (2014). High mobility titanium-doped indium oxide for use in tandem solar cells deposited via pulsed DC magnetron sputtering. Energy Procedia. 60 (C), pp. 148-155. https://doi.org/10.1016/j.egypro.2014.12.357
Design and optimisation of process parameters in an in-line CIGS evaporation pilot system
Wei, Z., Bobbili, P.R., Senthilarasu, S., Shimell, T. and Upadhyaya, H.M. (2014). Design and optimisation of process parameters in an in-line CIGS evaporation pilot system. Surface & Coatings Technology. 241, pp. 159-167. https://doi.org/10.1016/j.surfcoat.2013.10.033
Spray deposited copper zinc tin sulphide (Cu<inf>2</inf>ZnSnS<inf>4</inf>) film as a counter electrode in dye sensitized solar cells
Swami, S.K., Chaturvedi, N., Kumar, A., Chander, N., Dutta, V., Kumar, D.K., Ivaturi, A., Senthilarasu, S. and Upadhyaya, H.M. (2014). Spray deposited copper zinc tin sulphide (Cu<inf>2</inf>ZnSnS<inf>4</inf>) film as a counter electrode in dye sensitized solar cells. Physical Chemistry Chemical Physics. 16 (43), pp. 23993-23999. https://doi.org/10.1039/c4cp03312d