A tip that shakes
Eqs. (2) and (3) of Vanossi and co-workers and Eq. (2) of Sang and co-workers state the same equation: the equation of motion of chapter 2 plus a random force . The random force and the damping come from the same fast excitations that are not modelled explicitly, such as phonons, so their strengths cannot be chosen independently: the fluctuation–dissipation relation makes the noise strength proportional to .
With that relation, a tip held in a fixed valley reaches the right thermal equilibrium. In the course’s check, the variance of the tip position differs by 0.4% from a numerical integral of the Boltzmann distribution; the standard deviation is 0.019 nm, about a twentieth of the lattice period.
Shaking of that size cannot make the tip hop between resting valleys: with the scanner at the barrier ahead is 0.667 eV, about 26 .
Related on this site: A bead in an optical trap
Source: A. Vanossi · Y. Sang
The barrier vanishes before the fold
As the scanner advances, the valley holding the tip gets shallower. The course model gives a barrier of 0.241 eV with the support at , 0.094 eV at , and only 0.005 eV at ; the fold is at .
Near the fold the energy curve can be written locally as , and the barrier vanishes as , where is the fraction still to go to the fold. Eq. (7) of Sang and co-workers gives this relation; Vanossi and co-workers call it the scaling of a fold catastrophe.
The rate of hopping over the barrier comes from the Kramers formula. Eq. (5) of Sang and co-workers uses the high-damping form, whose prefactor depends only on the curvatures at the valley bottom and barrier top and on the damping. With Sang’s parameters the course finds that prefactor is about ; Sang and co-workers also note that this attempt frequency is small compared with typical values for surface adatoms, which is why very low barriers matter.
Source: Y. Sang · A. Vanossi
From waiting to a logarithmic law
When does the tip hop? Roughly when the rate times the remaining time is about one. Each step of the scanner lowers the barrier as and raises the rate exponentially. So the barrier at the slip is about , where is a dimensionless speed that combines damping, temperature and speed.
The barrier is proportional to , so at the slip the tip is still short of the fold. The further from the fold, the smaller the force at the slip and the smaller the mean friction. That is Eq. (10) of Sang and co-workers: friction grows with speed, but as rather than the of linear creep.
Eq. (5) of Vanossi and co-workers has the same form, with the warning that and plain are very hard to tell apart in experiments and simulations. The evidence Sang and co-workers offer is the way data at different temperatures collapse onto one line under their scaling.
From their Eqs. (9), (11) and (12), Sang and co-workers compute , and . Rederiving the same formulas independently, the course gets 0.542 nN, and . The values they extract from simulated and experimental data are , and .
Source: Y. Sang · A. Vanossi · E. Gnecco
Worked example: friction of a room-temperature tip at 300 nm/s
Problem. Parameters of Sang and co-workers, , . Use their closed form to compute the mean friction, find the barrier at which the tip slips, and compare with simulation.
Step 1, the dimensionless speed. , , .
Step 2, friction. At 293 K, . .
Step 3, the barrier at the slip. By the estimate of the last section the barrier is about ; on the course’s energy landscape that puts the support at , where the spring force is 0.525 nN, against a fold force of 0.677 nN.
Checks. Over 400 simulated slips the mean friction is , 1.1% above the closed form; the tips slip on average at . Integrating the Kramers rate along the true energy landscape gives 0.345 nN, 5% below the simulation, because the high-damping assumption does not fully hold at Sang’s damping (chapter 5).
Explanation. The tip does not wait for the barrier to vanish; it hops while the barrier is still 3 to 4 , about an eighth of the barrier at rest. Higher temperature or a slower scan makes it hop earlier and lowers friction: at 100 nm/s the simulated friction is 0.448, 0.324 and 0.280 nN at 100 K, 293 K and 373 K.
Source: Y. Sang · A. Vanossi