Control of energy dissipation in sliding low-dimensional materials

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F20%3A00342181" target="_blank" >RIV/68407700:21230/20:00342181 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1103/PhysRevB.102.085409" target="_blank" >https://doi.org/10.1103/PhysRevB.102.085409</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.102.085409" target="_blank" >10.1103/PhysRevB.102.085409</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Control of energy dissipation in sliding low-dimensional materials

Popis výsledku v původním jazyce

Frictional forces acting during the relative motion of nanosurfaces are the cause of energy loss and wear which limit an efficient assembly and yield of atomic-scale devices. In this research, we investigate the microscopic origin of the dissipative processes as a result of the frictional response, with the aim to control them in a subtle way. We recast the study of friction in terms of phonon modes of the system at the equilibrium, with no need to resort to dynamics simulations. As a case study, we here consider layer sliding in transition metal dichalcogenides thin films. We find that the population of specific atomic orbitals and the relative contribution of the atomic type to selected system vibrations are the crucial quantities which determine the frictional response in tribological conditions. A reduced amount of energy dissipation is found when the bond character is more ionic and the layer sliding is realized by a faster motion of the chalcogen atoms. The individuated relevant parameters governing the energy dissipation can be used as descriptors in high-throughput calculations or machine learning engines to screen databases of frictional materials. The presented framework is general and can be promptly extended to the design of tribological materials with targeted frictional response, irrespective of the chemistry and atomic topology.

Název v anglickém jazyce

Control of energy dissipation in sliding low-dimensional materials

Popis výsledku anglicky

Frictional forces acting during the relative motion of nanosurfaces are the cause of energy loss and wear which limit an efficient assembly and yield of atomic-scale devices. In this research, we investigate the microscopic origin of the dissipative processes as a result of the frictional response, with the aim to control them in a subtle way. We recast the study of friction in terms of phonon modes of the system at the equilibrium, with no need to resort to dynamics simulations. As a case study, we here consider layer sliding in transition metal dichalcogenides thin films. We find that the population of specific atomic orbitals and the relative contribution of the atomic type to selected system vibrations are the crucial quantities which determine the frictional response in tribological conditions. A reduced amount of energy dissipation is found when the bond character is more ionic and the layer sliding is realized by a faster motion of the chalcogen atoms. The individuated relevant parameters governing the energy dissipation can be used as descriptors in high-throughput calculations or machine learning engines to screen databases of frictional materials. The presented framework is general and can be promptly extended to the design of tribological materials with targeted frictional response, irrespective of the chemistry and atomic topology.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

PHYSICAL REVIEW B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

102

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

"085409-1"-"085409-8"

Kód UT WoS článku

000557296200006

EID výsledku v databázi Scopus

2-s2.0-85092152837