A Molecular Dynamics Study of Tribological Properties of Silicon Carbide as a Metal-Free Friction Material

Zhang, Yizhan; LeNeave, Cortney; Yi, Yun–Bo

doi:10.4271/2021-01-1284

SAE Technical Paper Series 2021

DOI: 10.4271/2021-01-1284

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A Molecular Dynamics Study of Tribological Properties of Silicon Carbide as a Metal-Free Friction Material

Yizhan Zhang¹,

Cortney LeNeave²,

Yun–Bo Yi³

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2024

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Cited by 2 publications

References 22 publications

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Discussion: “Modeling of Flash Temperature for Elastic Sliding Contact of Single Micro-Asperity Pair” (Wu, Z., Zhang, Y., Xu, Y., Jie, D., and Jackson, R. L., 2024, ASME J. Tribol., 146(1), p. 011702)

Jackson,

Wu,

et al. 2024

Journal of Tribology

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Discussion: “Modeling of Flash Temperature for Elastic Sliding Contact of Single Micro-Asperity Pair” (Wu, Z., Zhang, Y., Xu, Y., Jie, D., and Jackson, R. L., 2024, ASME J. Tribol., 146(1), p. 011702)

Jackson,

Wu,

et al. 2024

Journal of Tribology

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Mechanical properties of Si_(1−x)–C_(x): strength and stiffness of materials using LAMMPS molecular dynamics simulation

Petilla,

Dela Cruz,

Mahinay

2024

Jpn. J. Appl. Phys.

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This study investigated the mechanical properties (elastic modulus, tensile strength, yield strength, and toughness) of different percent C of Silicon Carbide (SiC) using molecular dynamics simulations via the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) with the uniaxial tensile test at four strain rates: 0.1, 0.5, 1.0, and 5.0 m/s, using the Tersoff potential. The simulation uses 20×20×20 atoms (108.6Å×108.6Å×108.6Å) of diamond cubic structure of Si, then carbon atoms were placed randomly at 5% intervals from 0-50 percent C. Results show improved mechanical properties when increasing percent C until peaking at 25%, before decreasing. This is caused by the shortest bond length at 25 percent C from the increase of Si=C using the Radial Distribution Function analysis. Increasing the strain rate generally improves the mechanical properties of the material. The deformation mechanism shows that increasing (decreasing) strain rate generally results in multiple (lesser) failure points with a ductile (brittle) fracture mode.

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A Molecular Dynamics Study of Tribological Properties of Silicon Carbide as a Metal-Free Friction Material

Cited by 2 publications

References 22 publications

Discussion: “Modeling of Flash Temperature for Elastic Sliding Contact of Single Micro-Asperity Pair” (Wu, Z., Zhang, Y., Xu, Y., Jie, D., and Jackson, R. L., 2024, ASME J. Tribol., 146(1), p. 011702)

Discussion: “Modeling of Flash Temperature for Elastic Sliding Contact of Single Micro-Asperity Pair” (Wu, Z., Zhang, Y., Xu, Y., Jie, D., and Jackson, R. L., 2024, ASME J. Tribol., 146(1), p. 011702)

Mechanical properties of Si_(1−x)–C_(x): strength and stiffness of materials using LAMMPS molecular dynamics simulation

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A Molecular Dynamics Study of Tribological Properties of Silicon Carbide as a Metal-Free Friction Material

Cited by 2 publications

References 22 publications

Discussion: “Modeling of Flash Temperature for Elastic Sliding Contact of Single Micro-Asperity Pair” (Wu, Z., Zhang, Y., Xu, Y., Jie, D., and Jackson, R. L., 2024, ASME J. Tribol., 146(1), p. 011702)

Discussion: “Modeling of Flash Temperature for Elastic Sliding Contact of Single Micro-Asperity Pair” (Wu, Z., Zhang, Y., Xu, Y., Jie, D., and Jackson, R. L., 2024, ASME J. Tribol., 146(1), p. 011702)

Mechanical properties of Si(1−x)–C(x): strength and stiffness of materials using LAMMPS molecular dynamics simulation

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Mechanical properties of Si_(1−x)–C_(x): strength and stiffness of materials using LAMMPS molecular dynamics simulation