Atomistic Origins of Temperature Dependent Shear Strength in 2D Materials

Technical Report · Mon Oct 01 04:00:00 EDT 2018

DOI:https://doi.org/10.2172/1595881· OSTI ID:1595881

Curry, John ^[1]; Hinkle, Adam ^[1]; Babuska, Tomas Farley ^[2]; Wilson, Mark A. ^[1]; Dugger, Michael T. ^[1]; Krick, Brandon A. ^[3]; Argibay, Nicolas ^[1]; Chandross, Michael E. ^[1]

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1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lehigh Univ., Bethlehem, PA (United States)
3. Lehigh Univ., Bethlehem, PA (United States)

A model that predicts the macro-scale temperature-dependent interfacial shear strength of 2D materials like MoS₂ based on atomistic mechanisms and energetic barriers to sliding has been developed. Atomistic simulations were used to systematically determine the lamellar size-dependent rotation and translation energy barriers, that were used to accurately predict a broad range of experimental data. This framework provides insights about the origins of characteristic shear strengths of 2D materials.

• Research Organization: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
• DOE Contract Number: AC04-94AL85000; NA0003525
• OSTI ID: 1595881
• Report Number(s): SAND--2018-11215; 668572
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
74 ATOMIC AND MOLECULAR PHYSICS