Bachmann Michael, Janke Wolfhard
Institut für Theoretische Physik, Universität Leipzig, Augustusplatz 10/11, D-04109 Leipzig, Germany.
Phys Rev Lett. 2005 Jul 29;95(5):058102. doi: 10.1103/PhysRevLett.95.058102.
We have performed multi-canonical chain-growth simulations of a polymer interacting with an adsorbing surface. The polymer, which is not explicitly anchored at the surface, experiences a hierarchy of phase transitions between conformations binding and nonbinding with the substrate. We discuss the phase diagram in the temperature-solubility plane and highlight the transition path through the free-energy landscape.
我们对与吸附表面相互作用的聚合物进行了多规范链增长模拟。该聚合物并未明确锚定在表面，而是经历了与底物结合和不结合构象之间的一系列相变。我们讨论了温度-溶解度平面中的相图，并突出了通过自由能景观的转变路径。
