ISSN:
1573-4900
Keywords:
Density functional theory
;
Linear combination of atomic orbitals
;
Linear elasticity theory
;
Nanoscale friction
Source:
Springer Online Journal Archives 1860-2000
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
Abstract The motion of a nanoscale MoO3 crystal on an MoS2 substrate is an ideal case for the study of the effects of microstructure on macroscopic phenomena like friction, because both components of this system can be prepared with atomically flat surfaces. We apply a recently developed real-space density functional theory method to investigate the energetics of sliding an MoO3 crystal on an MoS2 substrate. We then link the results to simple models based on continuum elastic theory, in order to study the mechanical behavior of the oxide crystals under loads that correspond to realistic situations. Based on these results, we extract estimates of the force which must be applied with an atomic force microscope in order to move the oxide crystal on the substrate, for different orientations of the two components.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1008666530448
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