No 1, Vol. 3, 2001 
 

MECHANICAL PROPERTIES OF POLYCRYSTAL MATERIALS, MOLECULAR DYNAMICS SIMULATION

A.M. Krivtsov¹ and M. Wiercigroch²

1 St.-Petersburg State Technical University,
Department of Theoretical Mechanics,
Politechnicheskaya Street 29, 195251 St.-Petersburg, Russia
2 Department of Engineering, University of Aberdeen,
Fraser Noble Building, King's College, Aberdeen, AB24 3UE, UK.
Email: M.Wiercigroch@eng.abdn.ac.uk

Abstract

The lack of continuity conditions of the rock materials presents a serious challenge for the continuum mechanics approach, hindering the effective use of the well-established methods such as the finite element method and the boundary elment methods. In the presented paper a discrete technique based on molecular dynamics approach is used for computer constructing of polycrystal materials. On the first step material grains are obtained from condensation of vaporised mixture of particles. Then the grains are compressed to obtain the material with the desirable porosity. Another variant for obtaining polycrystals is melting of the grain mixture with the consequent cooling. Uniaxial compressive loading tests for the obtained computer materials are presented, where the stress-strain relationships for mono and polycrystal specimens are compared. Influence of porosity on elastic and strength properties of the material is investigated. Applications for sandstone materials with different porosity are consiered. Use of the described technique for simulation of percussive drilling in hard rock formations is discussed.

full paper (pdf, 296 Kb)