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NANOFRICTION-- AN INTRODUCTION

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1 NANOFRICTION-- AN INTRODUCTION
E. Tosatti SISSA/ICTP/Democritos TRIESTE

2 Contents 1. Friction. Generalities, history.
2. “Stick-slip” versus smooth sliding; friction mechanisms. 3. Nanofriction: experimental methods. AFM, QCM, SFA… 4. Nanofriction: theory . a). Linear response b). Nonlinear friction in simple models: Prandtl-Tomlinson, Frenkel-Kontorova c). Simulated nanofriction: Molecular Dynamics--applications

3 FRICTION NANOFRICTION
FN FL (MEYER) (BRAUN) FRICTION COEFFICIENT: m = FL/ FN (usually~0.1-1) General Refs: B.N.J. PERSSON, Sliding Friction, Springer (2000); J.KRIM, Surf. Sci. 500, 741 (2002)

4 RELEVANCE -- FRICTION: energy conservation; machine wear; ...
-- NANOFRICTION: basic understanding; nanotechnology.

5 HISTORY LEONARDO DA VINCI
1. Friction is independent of the geometrical contact area 2. Friction is proportional to normal load AMONTONS Guillaume Amontons ( )

6 COULOMB EULER 3. Friction independent of velocity
4. Friction tied to roughness EULER 5. Static vs. dynamic friction

7 STATIC vs DYNAMIC FRICTION
SLIDING VELOCITY Fs= Fd Fk= Fr APPLIED FORCE

8 WHY FRICTION IS INDEP. OF AREA, AND PROPORT. TO LOAD
Philip Bowden Real contact surface AR= FN/s << A DaVinci-Amonton's law explained: FL = t AR = t FN /s = m FN yield stress BOWDEN - TABOR, 1950s David Tabor

9 Rodrigues et al. (2000) Au NANOCONTACTS

10 MORE GENERAL SLIDING FRICTION MECHANISMS
-- Entanglement of asperities, plastic deformation, wear (commonest macroscopic friction mechanism) -- Viscous friction (fluid interfaces, acquaplaning) -- Phonon dissipation, elastic deformation (flat solid interfaces) -- Bulk viscoelastic dissipation (e.g., car tyres) -- Electronic friction (metals, still being established) -- Vacuum friction (more speculative)

11 6. Stick-slip motion vs smooth sliding
low velocity &/or soft system high velocity &/or stiff system

12 SOME EXPERIMENTAL NANOFRICTION
METHODS

13 MACRO-MESOSCOPIC NANO
SOME EXPERIMENTAL TECHNIQUES MACRO-MESOSCOPIC NANO Tabor, Winterton, Israelachvili (~1975) Binnig, Quate, Gerber (1986)

14 FRICTION NANOFRICTION
(MEYER) GERD BINNIG HEINI ROHRER

15 AFM INSTRUMENTS Measure FL , F N Typical F N nN (MEYER)

16 -- “ATOMIC” STICK-SLIP MOTION OF TIP
NaCl(100) (MEYER et al) -- “ATOMIC” STICK-SLIP MOTION OF TIP -- ENCLOSED AREA IN (F, x) PLANE EQUALS DISSIPATED FRICTIONAL ENERGY

17 (QUARTZ CRYSTAL MICROBALANCE)
QCM (QUARTZ CRYSTAL MICROBALANCE) a Slip time t: 2 t: = d (Q-1)/dw KRIM, WIDOM, PRB 38, (1986)

18 QCM Frequency n= 107 Hz Amplitude a = 100 Angstrom
Velocity v ~ 2pn a ~ 0.6 m/s |Finertial|~ M (2pn)2 a = 3 x 10-15N ~3 x 10-6nN VERY WEAK FORCE --> LINEAR RESPONSE REGIME!

19 THEORY (a) LINEAR RESPONSE

20 ZERO EXTERNAL FORCE: 2D BROWNIAN DIFFUSION
<r2> = 4 Dt y x

21 WEAK EXTERNAL FORCE: 2D “DIFFUSIVE” DRIFT

22 LINEAR RESPONSE THEORY
< v > /m = F >> “viscous” friction m = mobility EINSTEIN RELATION m=D/ kBT D = S (w=0) S (w) = F.T. { <v(t) - v(0)>} VIVISCOUS FRICTION GOOD FOR FLUIDS, BUT NOT FOR SOLIDS: VIOLATES “OBEY” COULOMB’S LAW, F DEPENDENT ON VELOCITY

23 THEORY (b) SIMPLE (“MINIMALISTIC” ) FRICTION AND NANOFRICTION MODELS

24 PRANDTL-TOMLINSON MODEL (1928)
v keff H= (E0/2)cos(2pxtip/a) + (keff/2)(xtip-x)2+damping

25 F~ log v F~ v “COULOMB”! STIFF SOFT SMOOTH SLIDING STICK-SLIP SLIDING
LARGE K SMALL E LARGE E SMALL K SMOOTH SLIDING STICK-SLIP SLIDING F~ log v “COULOMB”! F~ v SASAKI, KOBAYASHI, TSUKADA, PRB 54 ,2138 (1996)

26 STICK-SLIP

27 e FRENKEL-KONTOROVA MODEL (1938) K
O.M.BRAUN, YU.S.KIVSHAR, The Frenkel Kontorova Model: Concepts, Methods, Applications, Springer (2004)

28 e e THE AUBRY TRANSITION K g = K / gg
INCOMMENSURATE: a c / a b = IRRATIONAL Fstatic SLIDING K e PINNED e g = K / gc gg g >gc ZERO STATIC FRICTION g <gc FINITE STATIC FRICTION (“PINNING”)

29 PHONON GAP OF PINNED SLIDER
w2 g > gc g < gc q q

30 (c) NANOFRICTION SIMULATIONS
THEORY (c) NANOFRICTION SIMULATIONS -- NEWTONIAN or LANGEVIN DYNAMICS -- FROM MODELS TO REALISTIC MOLECULAR DYNAMICS (MD) -- MD: EMPIRICAL AND AB INITIO FORCES VARIETY OF SYSTEMS, APPLICATIONS

31 MOLECULAR DYNAMICS SIMULATIONS
NEWTON TOT (FREE) EN. LANGEVIN THERMAL NOISE + - gvi(t)+ hi(t)

32 EMPIRICAL INTERPARTICLE FORCES
(EXAMPLE: LENNARD-JONES PAIR POTENTIAL)

33 SLAB GEOMETRY FREE SURFACE PBC PBC FREE SURFACE

34 EXAMPLE: “GRAZING” FRICTION SIMULATION
Diamond V NaCl

35 Zykova-Timan, et al, Nature Materials 6, 231 (2007)
Load = 1.0 nN T = 1100 K (6 Ang) Zykova-Timan, et al, Nature Materials 6, 231 (2007)

36 EXAMPLE: “PLOWING” FRICTION WITH WEAR
HIGH TEMPERATURE NANOFRICTION, DIAMOND ON NaCl(100) Zykova-Timan, Ceresoli, Tosatti, Nature Materials 6, 231 (2007)

37 PLOWING FRICTION FORCES
v = 50 m/s T=1100 K Normal force 6 Angstrom penetration

38 HIGH T FRICTIONAL DROP: SKATING
TIP IN LOCAL LIQUID CLOUD FURROW CLOSES UP BEHIND TIP v = 50 m/s

39 SIMULATED LUBRICATION
(BRAUN)

40 SQUEEZOUT TARTAGLINO, SIVEBAEK, PERSSON, TOSATTI, J. Chem Phys 125, (2006)

41 BRAUN, PRL (2006)

42 Temp.(K) t (fs) WHERE DOES THE ENERGY GO? WEAR + PHONONS
IN SIMULATION, THE THERMOSTATING METHOD MAY INFLUENCE AND FALSIFY THE REAL PHONON FRICTION Temp.(K) t (fs)

43 THE END SUMMARY FRICTION OFFERS MUCH MORE INTEREST AT NANOSCALE
SIMPLE MODELS DEMONSTRATE STICK-SLIP, PINNING TRANSITION SIMULATIONS EXTREMELY USEFUL AND PREDICTIVE IN NANOFRICTION DISPOSAL OF DISSIPATED PHONON ENERGY NEEDS SPECIAL ATTENTION THE END

44 SOME REFERENCES General : B.N.J. PERSSON, Sliding Friction, Springer (2000); J.KRIM, Surf. Sci. 500, 741 (2002) Stic-slip in Prandtl- Tomlinson Model:SASAKI, KOBAYASHI, TSUKADA, PRB 54 ,2138 (1996) Frenkel-Kontorova Model: O.M.BRAUN, YU.S.KIVSHAR, The Frenkel Kontorova Model: Concepts, Methods, Applications, Springer (2004) Nanofriction Simulation: Zykova-Timan et al, Nat. Materials 6, 231 (2007) Squeezout Simulation: TARTAGLINO, SIVEBAEK, PERSSON, TOSATTI, J. Chem Phys 125, (2006) Nanoscale Rolling Simulation: O.M. BRAUN, PRL (2006)


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