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Abstract Recent advancements in the field of two-dimensional (2D) materials have led to the discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale simulation methods have played a key role in these discoveries. In this review, we provide an overview of the recent progress in ReaxFF force field developments and applications in modeling the following layered and nonlayered 2D materials: graphene, transition metal dichalcogenides, MXenes, hexagonal boron nitrides, groups III-, IV- and V-elemental materials, as well as the mixed dimensional van der Waals heterostructures. We further discuss knowledge gaps and challenges associated with synthesis and characterization of 2D materials. We close this review with an outlook addressing the challenges as well as plans regarding ReaxFF development and possible large-scale simulations, which should be helpful to guide experimental studies in a discovery of new materials and devices.
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Layered 2D Nanomaterials to Tailor Friction and Wear in Machine Elements—A Review
Abstract Recent advances in 2D nanomaterials, such as graphene, transition metal dichalcogenides, boron nitride, MXenes, allow not only to discover several new nanoscale phenomena but also to address the scientific and industrial challenges associated with the design of systems with desired physical properties. One of the great challenges for mechanical systems is associated with addressing friction and wear problems in machine elements. In this review, the beneficial properties of layered 2D materials that enable the control of their tribological behavior and make them excellent candidates for efficient friction and wear reduction in dry‐running and boundary lubricated machine components are summarized. The recent studies highlighting the successful implementation of 2D structures when used as solid lubricant coatings or reinforcement phases in composites for various machine components including sliding and rolling bearings, gears, and seals are overviewed. The examples presented in the studies demonstrate the great potential for 2D materials to address the energy‐saving needs by friction and wear reduction.
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- Award ID(s):
- 2018132
- PAR ID:
- 10362234
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Advanced Materials Interfaces
- Volume:
- 9
- Issue:
- 3
- ISSN:
- 2196-7350
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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