Mesoscale Modelling of Biomolecules using Continuum Mechanics

‌Progressive Damage Analysis of Laminated Composites using Continuum Damage Mechanics

In this paper, progressive damage and global failure of composite laminates under quasi-static, monotonic loading are investigated using 3D continuum damage mechanics. For this purpose, a finite element program has been developed using an eight-node 2D layered element including layer-wise plate theory. Damage analysis of a single orthotropic layer under various uniform in-plane and transverse l...

Modelling DNA loops using continuum and statistical mechanics.

The classical Kirchhoff elastic-rod model applied to DNA is extended to account for sequence-dependent intrinsic twist and curvature, anisotropic bending rigidity, electrostatic force interactions, and overdamped Brownian motion in a solvent. The zero-temperature equilibrium rod model is then applied to study the structural basis of the function of the lac repressor protein in the lac operon of...

Molecular mechanics and dynamics of biomolecules using a solvent continuum model

An easy implementation of molecular mechanics and molecular dynamics simulation using a continuum solvent model is presented that is particularly suitable for biomolecular simulations. The computation of solvation forces is made using the linear Poisson-Boltzmann equation (polar contribution) and the solvent-accessible surface area approach (nonpolar contribution). The feasibility of the method...

Wear modelling: analytical, computational and mapping: a continuum mechanics approach

As a result of its widespread and pervasive economic consequences wear, the almost inevitable companion of friction, has been the subject of much scientific and empirical investigation; the literature is rich with ‘wear equations’ so that, on occasion, the practitioner can seem to have too much information rather than too little. Some guidance and reconciliation between analytical and computati...

Discrete Modelling and Discrete Algorithms in Continuum Mechanics