M. Aichele
University of Mainz
7 Papers
54 Citations
M. Aichele is an academic researcher from University of Mainz. The author has contributed to research in topics: Scattering & Relaxation (physics). The author has an hindex of 6, co-authored 7 publications. Previous affiliations of M. Aichele include Institut Charles Sadron.
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Papers
Computer Simulations of Polymers Close to Solid Interfaces: Some Selected Topics
Jörg Baschnagel,Hendrik Meyer,Fathollah Varnik,Susanne Metzger,M. Aichele,Marcus Müller,Kurt Binder +6 more
TL;DR: In this article, the authors present a topical overview of molecular-dynamics and Monte Carlo simulations for polymer systems close to solid interfaces, where the polymers are represented by bead-spring chains and the walls by a crystalline layer of Lennard-Jones particles or by a smooth impenetrable barrier.
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Perimeter Length and Form Factor of Two-Dimensional Polymer Melts
TL;DR: Using molecular-dynamics simulations, it is shown that the irregular shapes of self-avoiding polymers in two-dimensional melts are characterized by a perimeter length L(N) approximately R(N);{d_{p}} of fractal dimension d_{p}=d-Theta_{2}=5/4 , with Theta=3/4 being a well-known contact exponent.
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Static properties of a simulated supercooled polymer melt: structure factors, monomer distributions relative to the center of mass, and triple correlation functions.
TL;DR: The statics of the model via various structure factors, involving not only the monomers, but also the center of mass (CM), are explored, finding that the conformation of the chains and the CM-CM structure factor remain essentially unchanged on cooling toward the critical glass transition temperature T(c) of mode-coupling theory.
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Glassy Dynamics of Simulated Polymer Melts: Coherent Scattering and Van Hove Correlation Functions Part I: Dynamics in the beta-Relaxation Regime
M. Aichele,Jörg Baschnagel +1 more
TL;DR: In this article, the authors report results of molecular-dynamics simulations of a model polymer melt consisting of short non-entangled chains in the supercooled state above the critical temperature of mode-coupling theory.
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Structural and conformational dynamics of supercooled polymer melts : insights from first-principles theory and simulations
TL;DR: The results suggest that the onset of slow relaxation in a glass-forming melt can be described in terms of monomer caging supplemented by chain connectivity and a unified atomistic description of glassy arrest and of conformational fluctuations that (asymptotically) follow the Rouse model emerges from the theory.