𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Fracture simulations via large-scale nonequilibrium molecular dynamics

✍ Scribed by Brad Lee Holian; Peter S. Lomdahl; Shujia Zhou

Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
519 KB
Volume
240
Category
Article
ISSN
0378-4371

No coin nor oath required. For personal study only.

✦ Synopsis

We describe the historical development of large-scale nonequilibrium molecular-dynamics (NEMD) computer simulations of fracture at Los Alamos. We have found that dynamic crack propagation leads to energy buildup that seeds instabilities, such as dislocation emission and branching. Recent three-dimensional simulations have shed light on ductile fracture mechanisms, including sequences of dislocation emission in various modes that are strikingly different from anything previously conjectured. The future for constitutive modeling, based on observations of dynamical features in such NEMD simulations is quite bright, and one such example is discussed.

πŸ“œ SIMILAR VOLUMES

Plasticity induced by a shock wave: larg
Plasticity induced by a shock wave: large scale molecular dynamics simulations
✍ D. Tanguy; M. Mareschal; T.C. Germann; B.L. Holian; P.S. Lomdahl; R. Ravelo πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 218 KB

We present the results of large scale non equilibrium molecular dynamics simulations of plasticity induced by a shock wave in a perfect fcc single crystal in the orientation [1 0 0]. Shockley loops are thermally nucleated behind the shock front. The algorithm used to identify and follow the time evo

Thermodynamic properties of MgSiO3perovs
Thermodynamic properties of MgSiO3perovskite derived from large scale molecular dynamics simulations
✍ BjΓΆrn Winkler; Martin T. Dove πŸ“‚ Article πŸ“… 1992 πŸ› Springer-Verlag 🌐 English βš– 954 KB

A molecular dynamics simulation study of MgSiO3 has been performed using a large sample containing 4096 unit cells. Thermodynamic properties have been extracted using a semiclassical approximation to the correct quantum mechanical treatment, using the calculated density of states and the quantum har