Edge-based formulation of elastic network models

Abstract

We present an edge-based framework for the study of geometric elastic network models to model mechanical interactions in physical systems. We use a formulation in the edge space, instead of the usual node-centric approach, to characterize edge fluctuations of geometric networks defined in d-dimensional space and define the edge mechanical embeddedness, an edge mechanical susceptibility measuring the force felt on each edge given a force applied on the whole system. We further show that this formulation can be directly related to the infinitesimal rigidity of the network, which additionally permits three-and four-center forces to be included in the network description. We exemplify the approach in protein systems, at both the residue and atomistic levels of description.

Conjugated‐carbon nanostructures: Emergences

“…Blended orbitals clearly offer novel possibilities not yet fully explored. Moreover, such blended nonbonding orbitals seem to be what is described [ 36–38 ] in the physics literature as “topological insulators,” which nevertheless conduct along the boundary, and to be, [ 91–97 ] a “topologically protected” feature (see also, refs. [62,65]).…”