Particle modeling of dynamic fragmentation-I: Theoretical considerations

Research output: Contribution to journalArticlepeer-review


This paper series adopts particle modeling (PM) to simulation of dynamic fracture phenomena in homogeneous and heterogeneous materials, such as encountered in comminution processes in the mining industry. This first paper is concerned with the setup of a lattice-type particle model having the same functional form as the molecular dynamics (MD) model (i.e., the Lennard-Jones potential), yet on centimeter length scales. We formulate four conditions to determine four key parameters of the PM model (also of the Lennard-Jones type) from a given MD model. This leads to a number of properties and trends of resulting Young's modulus in function of these four parameters. We also investigate the effect of volume, at fixed lattice spacing, on the resulting Young modulus. As an application, we use our model to revisit the dynamic fragmentation of a copper plate with a skew slit [J. Phys. Chem. Solids, 50(12) (1989) 1245].

Original languageEnglish (US)
Pages (from-to)429-442
Number of pages14
JournalComputational Materials Science
Issue number4
StatePublished - Jun 2005
Externally publishedYes


  • Constitutive relations
  • Cracks
  • Dynamics
  • Fracture mechanics
  • Minerals
  • Shocks
  • Structural modeling

ASJC Scopus subject areas

  • General Computer Science
  • General Chemistry
  • General Materials Science
  • Mechanics of Materials
  • General Physics and Astronomy
  • Computational Mathematics


Dive into the research topics of 'Particle modeling of dynamic fragmentation-I: Theoretical considerations'. Together they form a unique fingerprint.

Cite this