Atomic-scale design of friction and energy dissipation
Atomic-scale design of friction and energy dissipation
Study of friction and energy dissipation always relied on direct observations. Actual theories provide limited prediction on the frictional and dissipative properties if only the material chemistry and geometry are known. We here develop a framework to study intrinsic friction and energy dissipation based on the only knowledge of the normal modes of the system at equilibrium. We derive an approximated expression for the first anharmonic term in the potential energy expansion which does not require the computation of the third-order force constants. Moreover, we show how to characterize the frequency content of observed physical quantities and individuate the dissipative processes active during experimental measurements. As a case study, we consider the relative sliding motion of atomic layers in molybdenum disulfide dry lubricant, and we discuss how to extract information on the energetics of sliding from atomic force microscopy signals. The presented framework switches the investigation paradigm on friction and energy dissipation from dynamic to static studies, paving avenues to explore for the design of alternative anisotropic tribological and thermal materials.
Cammarata, Antonio
d9f02172-7364-4d80-a32b-03d2d7970257
Nicolini, Paolo
80726840-4adf-44ea-a1dd-a77f9cb1e72d
Simonovic, Kosta
c5ae0e3f-5617-41f3-a2bd-bd218ec14e78
Ukraintsev, Egor
a36d4bbe-f72b-414d-bf12-c1f9df905678
Polcar, Tomas
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
25 March 2019
Cammarata, Antonio
d9f02172-7364-4d80-a32b-03d2d7970257
Nicolini, Paolo
80726840-4adf-44ea-a1dd-a77f9cb1e72d
Simonovic, Kosta
c5ae0e3f-5617-41f3-a2bd-bd218ec14e78
Ukraintsev, Egor
a36d4bbe-f72b-414d-bf12-c1f9df905678
Polcar, Tomas
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Cammarata, Antonio, Nicolini, Paolo, Simonovic, Kosta, Ukraintsev, Egor and Polcar, Tomas
(2019)
Atomic-scale design of friction and energy dissipation.
Physical Review B, 99 (9), [094309].
(doi:10.1103/PhysRevB.99.094309).
Abstract
Study of friction and energy dissipation always relied on direct observations. Actual theories provide limited prediction on the frictional and dissipative properties if only the material chemistry and geometry are known. We here develop a framework to study intrinsic friction and energy dissipation based on the only knowledge of the normal modes of the system at equilibrium. We derive an approximated expression for the first anharmonic term in the potential energy expansion which does not require the computation of the third-order force constants. Moreover, we show how to characterize the frequency content of observed physical quantities and individuate the dissipative processes active during experimental measurements. As a case study, we consider the relative sliding motion of atomic layers in molybdenum disulfide dry lubricant, and we discuss how to extract information on the energetics of sliding from atomic force microscopy signals. The presented framework switches the investigation paradigm on friction and energy dissipation from dynamic to static studies, paving avenues to explore for the design of alternative anisotropic tribological and thermal materials.
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Published date: 25 March 2019
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Funding Information:
This work has been done with the support of the Czech Science Foundation (Grants No. 17-24164Y and No. 16-11516Y). This work was supported by European Regional Development Fund in the frame of the projects “Centre of Advanced Applied Sciences” (Grant No. CZ.02.1.01/0.0/0.0/16_019/0000778) and “Novel nanostructures for engineering applications” (Grant No. CZ.02.1.01/0.0/0.0/16_026/0008396). This work was supported by The Ministry of Education, Youth and Sports from the Large Infrastructures for Research, Experimental Development and Innovations project “IT4Innovations National Supercomputing Center—LM2015070.” This work was partly supported by COST Action MP1303. The AFM measurements occurred in the frame of the LNSM infrastructure. We acknowledge Stanislav Leesment and Andrey Gruzdev from NT-MDT Spectrum Instruments for automation script creation. The use of vesta software is also acknowledged.
Publisher Copyright:
© 2019 American Physical Society.
Copyright:
Copyright 2019 Elsevier B.V., All rights reserved.
Identifiers
Local EPrints ID: 456235
URI: http://eprints.soton.ac.uk/id/eprint/456235
ISSN: 2469-9950
PURE UUID: 58fb77b7-d699-4cb2-ba5f-01aaad67a76e
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Date deposited: 26 Apr 2022 19:55
Last modified: 18 Mar 2024 03:19
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Contributors
Author:
Antonio Cammarata
Author:
Paolo Nicolini
Author:
Kosta Simonovic
Author:
Egor Ukraintsev
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