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.
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.
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