Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations
نویسندگان
چکیده
from compressive-shear reaction dynamics simulations Sergey V. Zybin, William A. Goddard III, Peng Xu, Adri C. T. van Duin, and Aidan P. Thompson Materials and Process Simulation Center, 139-74, California Institute of Technology, Pasadena, California 91125, USA Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, USA Sandia National Laboratories, MS 1322, P.O. Box 5800, Albuquerque, New Mexico 87185, USA
منابع مشابه
Atomistic simulation of orientation dependence in shock-induced initiation of pentaerythritol tetranitrate.
The dependence of the reaction initiation mechanism of pentaerythritol tetranitrate (PETN) on shock orientation and shock strength is investigated with molecular dynamics simulations using a reactive force field and the multiscale shock technique. In the simulations, a single crystal of PETN is shocked along the [110], [001], and [100] orientations with shock velocities in the range 3-10 km/s. ...
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