Dynamics and Dynamical Systems Commons^™

Nanoscale Modeling Of Membrane Systems Under Mechanical Deformation In Traumatic Brain Injury Using Molecular Dynamics, Anh Thi Ngoc Vo

Theses and Dissertations

Neuronal membrane disruption and mechanoporation are nanoscale damage mechanisms that critically affect brain cell viability during traumatic brain injury (TBI). These nanoscale cellular impairments are elusive in experiments and necessitate in silico approaches such as molecular dynamics (MD) simulations. Implementing MD, this research aims to investigate the effects of different key factors related to membrane deformation and damage, including force field resolutions, lipid compositions, and loading conditions.

To examine the impact of force field resolution, MD deformation simulations were conducted on 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine (POPC) lipid bilayer membranes, using all-atom (AA), united-atom (UA), and coarse-grained Martini (CG-M) force fields. The mechanical responses …

Numerical Simulation Of Nonlinear Vibrations Of Discrete Mass With Harmonic Force Perturbation, M. Yusupov, B. A. Akhmedov, Olga Karpova

Acta of Turin Polytechnic University in Tashkent

The problem of vibration of a single-mass system under the force excitation of vibration associated with a fixed base by a weightless nonlinear viscoelastic spring is considered. To take into account the rheological properties of the spring material, the Boltzmann-Volterra principle was used. Mathematical models of the problem under consideration are obtained, which are described by integro-differential equations. A solution method based on the use of quadrature formulas has been developed and a computer program has been compiled on its basis, the results obtained are presented in the form of graphs. The influence of nonlinear and rheological properties of a …