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We study the deformation of nano--scale polymer films which are subject to external bending forces by means of computer simulation. The polymer is represented by a generalized bead--spring--model, intended to reproduce characteristic…
We propose a continuum theory to model the Mullins effect, which is ubiquitously observed in polymer composites. In the theory, the softening of the materials during the stretching process is accounted for by considering the delamination of…
We investigate the sedimentation of knotted polymers by means of stochastic rotation dynamics, a molecular dynamics algorithm that takes hydrodynamics fully into account. We show that the sedimentation coefficient s, related to the terminal…
Plastic deformation is widely regarded as an intrinsically dissipative phenomenon and its theoretical description is largely phenomenological. We argue instead that plasticity possesses a non-dissipative, symmetry determined backbone:…
The reaction of $AB_m$ monomers (m=2,3) with a multifunctional B_f-type polymer chain ("hypergrafting") is studied by coarse-grained molecular dynamics simulations. The $AB_m$ monomers are hypergrafted using the slow monomer addition…
A new approach to relativistic mechanics is proposed, suitable to describe dynamics of different kinds of relativistic particles. Mathematically it is based on an application of the recent geometric theory of nonholonomic systems on fibred…
The goal of this contribution is to introduce the Hamiltonian formalism of theoretical mechanics for analysing motion in generic linear and non-linear dynamical systems, including particle accelerators. This framework allows the derivation…
This work introduces a mathematical approach to analysing the polymer dynamics in turbulent viscoelastic flows that uses a new geometric decomposition of the conformation tensor, along with associated scalar measures of the polymer…
The coupled dynamics of entangled polymers which span a broad time and length scales govern the unique viscoelastic properties of polymers. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes…
Discrete mesoscale network models, in which explicitly modeled polymer chains are replaced by implicit pairwise potentials, are capable of predicting the macroscale mechanical response of polymeric materials such as elastomers and gels,…
Variational integrators are a special kind of geometric discretisation methods applicable to any system of differential equations that obeys a Lagrangian formulation. In this thesis, variational integrators are developed for several…
The Lagrange--Poincar\'e equations for the mechanical system describing the motion of a scalar particle on a Riemannian manifold with a given free and isometric action of a compact Lie group is obtained. In an arising principle fibre…
A general non-local point transformation for position-dependent mass Lagrangians and their mapping into a "constant unit-mass" Lagrangians in the generalized coordinates is introduced. The conditions on the invariance of the related…
The Lagrangian relativistic direct interaction theory in the various forms of dynamics is formulated and its connections with the Fokker-type action theory and with the constrained Hamiltonian mechanics are established. The motion of…
An outstanding problem in Earth science is understanding the method of transport of magma in the Earth's mantle. Models for this process, transport in a viscously deformable porous media, give rise to scalar degenerate, dispersive,…
Studying high-dimensional Hamiltonian systems with microstructure, it is an important and challenging problem to identify reduced macroscopic models that describe some effective dynamics on large spatial and temporal scales. This paper…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Phys. Rev. Lett., ${\bf 100}$, 123004 (2008)] is formulated for general Hohenberg-Kohn density functional theory and compared to the extended Lagrangian framework of first principles…
Laminated glass units exhibit complex response as a result of different mechanical behavior and properties of glass and polymer foil. We aim to develop a finite element model for elastic laminated glass plates based on the refined plate…
Lagrangian submanifolds are becoming a very essential tool to generalize and geometrically understand results and procedures in the area of mathematical physics. Here we use general Lagrangian submanifolds to provide a geometric version of…
Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as…