摘要
CERIUS2 program was employed on an Indigo2 SGI workstation to investigate the vacuum and crystal structures of the high energy density materials (HEDM). Over 20 known HEDM were first studied with an emphasis on the enthalpy of formation, optimal lattice forms, crystal lattice energy and crystal density. On the basis of the study, about 20 potential HEDM were designed.
CERIUS2 program was employed on an Indigo2 SGI workstation to investigate the vacuum and crystal structures of the high energy density materials (HEDM). Over 20 known HEDM were first studied with an emphasis on the enthalpy of formation, optimal lattice forms, crystal lattice energy and crystal density. On the basis of the study, about 20 potential HEDM were designed.
出处
《计算机与应用化学》
CAS
CSCD
2000年第1期187-187,共1页
Computers and Applied Chemistry
基金
国家教委留学回国人员科研基金
