J. Jimenez et R. Rajagopalan, INTERACTION BETWEEN A GRAFTED POLYMER-CHAIN AND AN AFM TIP - SCALING LAWS, FORCES, AND EVIDENCE OF CONFORMATIONAL TRANSITION, Langmuir, 14(10), 1998, pp. 2598-2601
The force of compression of an end-grafted polymer chain in a Theta so
lvent by a finite-sized object (e.g., the tip of an atomic force micro
scope) is studied using a new simulation technique called the contact-
distribution method. This paper presents the first ever simulation of
the conformational transition of a polymer chain from a ''confined'' s
tate to an ''escaped'' state. The results corroborate the force relati
ons that were recently obtained using scaling arguments but clearly in
dicate the existence of a transition region between the two states. Th
e characteristics of the transition are affected by the size, shape, a
nd alignment of the tip and by the temperature or quality of the solve
nt. We also comment on the implication of the results to the experimen
tal confirmation of the predictions.