Interatomic potentials: Achievements and challenges

MH Müser, SV Sukhomlinov, L Pastewka - Advances in Physics: X, 2023 - Taylor & Francis
Interatomic potentials approximate the potential energy of atoms as a function of their
coordinates. Their main application is the effective simulation of many-atom systems. Here …

[HTML][HTML] A bond-based micropolar peridynamic model with shear deformability: Elasticity, failure properties and initial yield domains

V Diana, S Casolo - International Journal of Solids and Structures, 2019 - Elsevier
A generalized micropolar bond-based Peridynamic model with shear deformability for linear
and non-linear problems is proposed. The analytical implicit formulation is derived from the …

Derivation of microstructured continua from lattice systems via principle of virtual works: the case of masonry-like materials as micropolar, second gradient and …

P Trovalusci, A Pau - Acta Mechanica, 2014 - Springer
The description of the mechanical behaviour of brick/block masonry through equivalent
continua is presented here as a paradigmatic example of the problem of gross modelling of …

Anisotropic continuum-molecular models: a unified framework based on pair potentials for elasticity, fracture and diffusion-type problems

V Diana - Archives of Computational Methods in Engineering, 2023 - Springer
This paper presents a unified framework for continuum-molecular modeling of anisotropic
elasticity, fracture and diffusion-based problems within a generalized two-dimensional …

Strain analysis of protein structures and low dimensionality of mechanical allosteric couplings

MR Mitchell, T Tlusty, S Leibler - Proceedings of the …, 2016 - National Acad Sciences
In many proteins, especially allosteric proteins that communicate regulatory states from
allosteric to active sites, structural deformations are functionally important. To understand …

Molecular approaches for multifield continua: origins and current developments

P Trovalusci - Multiscale modeling of complex materials …, 2014 - Springer
The mechanical behaviour of complex materials, characterised at finer scales by the
presence of heterogeneities of significant size and texture, strongly depends on their …

Micromodels for the in-plane failure analysis of masonry walls: Limit Analysis, FEM and FEM/DEM approaches

M Pepe, M Pingaro, P Trovalusci, E Reccia… - Frattura e Integrità …, 2020 - iris.unica.it
In the last decades the modeling of masonry structures has become an argument particularly
appealing for many researchers and a large variety of numerical techniques have been …

[HTML][HTML] A multiscale description of particle composites: From lattice microstructures to micropolar continua

P Trovalusci, ML De Bellis, R Masiani - Composites Part B: Engineering, 2017 - Elsevier
We present a two–steps multiscale procedure suitable to describe the constitutive behavior
of hierarchically structured particle composites. The complex material is investigated …

Block masonry as equivalent micropolar continua: the role of relative rotations

A Pau, P Trovalusci - Acta Mechanica, 2012 - Springer
A description of brick/block masonry by continua equivalent to discrete systems made of
blocks of different geometry and texture is proposed in this paper. Here, the reasons for the …

Anisotropic peridynamics for homogenized microstructured materials

V Diana, A Bacigalupo, M Lepidi… - Computer Methods in …, 2022 - Elsevier
An anisotropic continuum-molecular model based on pair potentials for describing the linear
static and dynamic behavior of periodic heterogeneous Cauchy materials is derived in the …