supported by the National Natural Science Foundation of China (Grant Nos. 10774017, 10475058 and 10976004);the National Basic Research Program of China (Grant No. 61383);the Foundation of National Key Laboratory (Grant No. 9140C6901031004);Development Foundation of China Academy of Engineering Physics (Grant Nos. 2010A0201008 and 2009A0101001);Defense Industrial Technology Development Program (Grant No. B1520110002)
The equation of states (EOS) of high energy explosive HMX (octahydro-l,3,5,7-tetranitro-1,3,5,7-tetrazocine) has been studied by using the first principle method. Our results include the lattice constants, elastic...