Dresden 2026 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

CPP: Fachverband Chemische Physik und Polymerphysik

CPP 24: French-German Session: Simulation Methods and Modeling of Soft Matter IV

CPP 24.5: Vortrag

Dienstag, 10. März 2026, 12:30–12:45, ZEU/0255

Prediction of Ultra-Long Time-Scale Dynamics from Picoseconds to Seconds: Integral of First-Passage Times — •Qiyun Tang — School of Physics, Southeast University, Nanjing, China

The dynamics of non-equilibrium nanostructure formation span over 13 orders of magnitude in time, from molecular vibrations at picoseconds to macroscopic processes at seconds or longer. Predicting such ultra-long time-scale dynamics poses significant challenges for conventional molecular simulation methods. We recently proposed a new approach-Integral of first-passage times (IFS)-to predict the evolution of non-equilibrium nanostructures, and the resulting structural distributions align well with experimental observations [1]. Furthermore, we have verified that the dynamics predicted by IFS are consistent with direct simulations in cases of low free energy barriers, while under high free energy barriers, the ultra-long time-scale dynamics predicted by IFS agree with experimental measurements [2]. Utilizing this method, we have also systematically investigated the relationship between polymer adsorption dynamics and surface curvature [3,4]. The IFS method bridges microscopic picosecond-scale dynamics with macroscopic growth kinetics of nanostructures, offering an effective approach for designing and controlling non-equilibrium nanostructures.

[1]Q.Tang, C. Rossner, P. Vana, M. Müller, Biomacromolecules 2020, 21: 5008. [2]Q. Tang, Y. Huang, M. Müller, Phys. Rev. E 2024, 110: 044502. [3]J. Zhang, Q. Tang, Phys. Rev. Mater. 2024, 8: 105602. [4]Y. Huang, C. Tang, Q. Tang,*Nanoscale 2024, 16: 19806.