Publications by Fabio Pavia | EPFL Graph Search

Molecular dynamics at constant Cauchy stress

The Parrinello-Rahman algorithm for imposing a general state of stress in periodic molecular dynamics simulations is widely used in the literature and has been implemented in many readily available molecular dynamics codes. However, what is often overlooke ...

American Institute of Physics2016

Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

William Curtin, Fabio Pavia

Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing ...

Iop Publishing Ltd2015

Robust atomistic calculation of dislocation line tension

William Curtin, Fabio Pavia, Benjamin Alexander Szajewski

The line tension Gamma of a dislocation is an important and fundamental property ubiquitous to continuum scale models of metal plasticity. However, the precise value of Gamma in a given material has proven difficult to assess, with literature values encomp ...

Institute of Physics2015

Molecular modeling of cracks at interfaces in nanoceramic composites

William Curtin, Fabio Pavia

Toughness in Ceramic Matrix Composites (CMCs) is achieved if crack deflection can occur at the fiber/matrix interface, preventing crack penetration into the fiber and enabling energy-dissipating fiber pullout. To investigate toughening in nanoscale CMCs, d ...

Elsevier2013

Optimizing strength and toughness of nanofiber-reinforced CMCs

William Curtin, Fabio Pavia

Nanofibers used in current ceramic matrix composites (CMCs) are usually wavy and of finite length. Here, a shear-lag model for predicting the tensile strength and work of fracture of a composite containing a "single matrix crack", as a function of all the ...

Elsevier2012