실린더 형태의 나노와이어와 표면 사이의 응착력 평가를 위한 분자동역학 시뮬레이션 연구
Investigation of Adhesion force between Cylindrical Nanowire and Flat Surface through Molecular Dynamics Simulation
1
조회
0
다운로드
1
인용
0
참고문헌
키워드
초록
Adhesion force of nanomaterials such as nanoparticle, nanowire, and nanorods should be significantly considered for its mechanical applications. However, examination of the adhesion force is limited since it is technically challenging to carry out experiments with such small objects. Therefore, in this work, molecular dynamics simulation (MDS) was conducted to determine the adhesion force between a nanowire and a flat surface, which could not be readily assessed through experiments. The adhesion force of a cylindrical-shaped nanowire was assessed by performing MDS and applying an equation of Van der Waals interaction. Simulation was conducted in two steps: indentation of a spherical tip on the flat surface and indentation of a cylinder on the flat surface, because the purpose of the simulation was comparing the results of the simulation and calculation of the Van der Waals interaction equation. From the simulation, Hamaker constant used for the equation of Van der Waals interaction was determined to be 2.93 °ø 10?18 J. Using this constant, the adhesion force of the nanowire on the flat surface was readily estimated by calculating Van der Waals equation to be approximately 65~89 nN with respect to the diameter of the nanowire. Moreover, the adhesion force of the nanowire was determined to be 52~77 nN from the simulation It was observed that there was a slight discrepancy (approximately 15~25%) between the results of the simulation and the theoretical calculation. Thus, it was confirmed that the calculation of Van der Waals interaction could be utilized to assess the adhesion force of the nanowire.
Abstract
Adhesion force of nanomaterials such as nanoparticle, nanowire, and nanorods should be significantly considered for its mechanical applications. However, examination of the adhesion force is limited since it is technically challenging to carry out experiments with such small objects. Therefore, in this work, molecular dynamics simulation (MDS) was conducted to determine the adhesion force between a nanowire and a flat surface, which could not be readily assessed through experiments. The adhesion force of a cylindrical-shaped nanowire was assessed by performing MDS and applying an equation of Van der Waals interaction. Simulation was conducted in two steps: indentation of a spherical tip on the flat surface and indentation of a cylinder on the flat surface, because the purpose of the simulation was comparing the results of the simulation and calculation of the Van der Waals interaction equation. From the simulation, Hamaker constant used for the equation of Van der Waals interaction was determined to be 2.93 °ø 10?18 J. Using this constant, the adhesion force of the nanowire on the flat surface was readily estimated by calculating Van der Waals equation to be approximately 65~89 nN with respect to the diameter of the nanowire. Moreover, the adhesion force of the nanowire was determined to be 52~77 nN from the simulation It was observed that there was a slight discrepancy (approximately 15~25%) between the results of the simulation and the theoretical calculation. Thus, it was confirmed that the calculation of Van der Waals interaction could be utilized to assess the adhesion force of the nanowire.
참고문헌 (21)
- Goto, H., "Growth of Core–Shell InP Nanowires for Photovoltaic Application by Selective-Area Metal Organic Vapor Phase Epitaxy", Appl. Phys. Express, 2(3), pp.035004~ (2009)
- Law, M., "Nanowire dye-sensitized solar cells", Nat. Mater, 4, pp.455~459 (2005)
- Cui, Y., "Nanowire nanosensors for highly sensitive and selective detection of biological and chemical species", Science, 293, pp.1289~1292 (2001)
- Johnson, J. C., "Single gallium nitride nanowire lasers", Nat. Mater, 1, pp.106~110 (2002)
- Kim, H. -J., "Sliding and rolling frictional behavior of a single ZnO nanowire during manipulation with an AFM", Nanoscale, 5, pp.6081~6087 (2013)
- Liu, C. H., "Electrical properties of zinc oxide nanowires and intramolecular pn junctions", Appl. Phys. Lett, 83, pp.3168~3170 (2003)
- Zhang, J., "Synthesis and piezoelectric properties of well-aligned ZnO nanowire arrays via a simple solution-phase approach", Appl. Phys. A, 97, pp.869~876 (2009)
- Yang, P., "Controlled Growth of ZnO Nanowires and Their Optical Properties", Adv. Funct. Mater, 12, pp.323~331 (2002)
- Tran, D. K., "Simultaneous Measurement of Elastic Properties and Friction Characteristics of Nanowires Using Atomic Force Microscopy", Exp. Mech, 55, pp.903~915 (2015)
- Wang, S., "The kinetic friction between a nanowire and a flat substrate measured using nanomanipulation with optical microscopy", Appl. Phys. Lett, 107, pp.103102~ (2015)
- Zhu, Y., "Friction and Shear Strength at the Nanowire-Substrate Interfaces", Nanoscale Res. Lett, 5, pp.291~295 (2010)
- Kim, H. -J., "Wear minimization through utilization of atomic-scale functional surface structure", Appl. Phys. Lett, 103, pp.151904~ (2013)
- 강지훈, "분자 동역학을 이용한 나노임프린트 리소그래피에서의 패턴 전사에 관한 연구", 한국윤활학회지, 21(4), pp.177~184 (2005), 한국윤활학회
- Sung, I. -H., "Molecular dynamics simulation study of the nano-wear characteristics of alkanethiol self-assembled monolayers", Appl. Phys. A, 81, pp.109~114 (2005)
- Sedin, D. L., "Adhesion Forces Measured by Atomic Force Microscopy in Humid Air", Anal. Chem, 72, pp.2183~2189 (2000)
- Miyoshi, K., "Considerations in vacuum tribology(adhesion, friction, wear, and solid lubrication in vacuum)", Tribol. Int, 32, pp.605~616 (1999)
- Parsegian, V. A., "Van der Waals Forces: A Handbook for Biologists, Chemists, Engineers, and Physicists" (2005), Cambridge University Press
- Das, S., "A method to quantitatively evaluate the Hamaker constant using the jump-into-contact effect in atomic force microscopy", Nanotechnology, 18(3), pp.035501~ (2007)
- Ackler, H. D., "Comparisons of Hamaker Constants for Ceramic Systems with Intervening Vacuum or Water : From Force Laws and Physical Properties", J. Colloid Interface Sci, 179, pp.460~469 (1996)
- Israelachvili, J., "Intermolecular and Surface Forces" (2011), Academic Press
- Leite, F. L., "Theoretical models for surface forces and adhesion and their measurement using atomic force microscopy", Int. J. Mol. Sci, 13(10), pp.12773~12856 (2012)