Identifying deformation mechanisms in molecular dynamics simulations of laser shocked matter
Journal of Computational Physics Elsevier 350 (2017) 16-24
Abstract:
In this paper we demonstrate a new post-processing technique that allows straightforward identification of deformation mechanisms in molecular dynamics simulations. We utilise reciprocal space methods by calculating a per-atom structure factor (PASF) to visualise changes in volume, orientation and structure, thus allowing unambiguous discrimination between key deformation/relaxation mechanisms such as uniaxial strain, twinning and structural phase transformations. The full 3-D PASF is reduced to a 2-D representation by taking only those points which lie on the surface of an ellipsoid passing through the nearest reciprocal lattice points. Projecting this 2-D representation onto the set of spherical harmonics allows for a numerical characterisation of the system state that easily captures various plastic deformation mechanisms that have been historically difficult to identify. The technique is used to successfully classify high temperature twinning rotations in shock compressed tantalum and to identify the α to ω phase transition in group-IV hcp metals.Interaction of a highly radiative shock with a solid obstacle
Physics of Plasmas American Institute of Physics 24:8 (2017) 082707
Abstract:
In this paper, we present the recent results obtained regarding highly radiative shocks (RSs) generated in a low-density gas filled cell on the GEKKO XII laser facility. The RS was generated by using an ablator-pusher two-layer target (CH/Sn) and a propagation medium (Xe). High velocity RSs have been generated (100-140 km/s), while limiting as much as possible the preheating produced by the corona emission. Both self-emission and visible probe diagnostics highlighted a strong emission in the shock and an electron density in the downstream gas. The RS characteristics that depend on the initial conditions are described here as well as its precursor interaction with an aluminium foil used as an obstacle. The obtained results are discussed which show a strong extension of the radiative precursor (1 mm) leading to an expansion velocity of the obstacle up to 30 km/s compatible to a 20 eV temperature.Transition from collisional to collisionless regimes in interpenetrating plasma flows on the National Ignition Facility
Physical Review Letters American Physical Society 118:18 (2017) 185003