surface S' (Figure 2.1, Top). Thus, the total force applied on the tip is given as the surface
integral
F = ∫T ∙ ndS (2.9)
s
where n is a unit normal vector pointing into the surface S,
_ r'(z')z-r (2.10)
∏ = ~~) ~~~^........-
ʌ/l + r,2
in which r is the tip curvature given as
r = y∣radius2 - z2 (2∙ 11 )
T is the total stress tensor [50, 53]:
T = (∏ + ɪ ¾E ∙ E)I - ¾EE (2.12)
in which ∏ is the osmotic pressure term
∏ = 2n0kBT(cosh(ey//kBT)-ï) (2.13)
I is the unit dyadic, E is local electric field vector. The tip-sample force measured by
the AFM can be described as the z component of Equation 2.9.
⅞ л г 1 -∣ ʌ
F. = [ r' TI +-εεnE2 - εεnEE +εεaEEr 2πrdz (2.14)
ZJ ɔ U UZ Ur Xz
Λ L 2 J ;
Equation 2.14 was numerically calculated based on the electrostatic field values and
potentials exported from the simulation. Zi and Z2 are the z-axis limits of the sphere. By
changing the tip-sample separation, force curves were simulated. These curves were
compared to the silicon nitride reference data, and σtip and σsampιe were adjusted to
achieve a good match (Figure 2.3). Once the tip charge density was known, the same
procedure was carried out on the lipid data to determine the long-range fit.
21
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