Subsequently the structure, mechanical and thermal behavior of this nanophase system will be investigated. Crystalline SiSe 2 has linear chains of exclusively edge-sharing tetrahedral units along its c axis. The simulation consists of 1204 of these 900 long chains arranged in a circular cross section of diameter 200 . At the critical strain, local amorphization is observed in the outer chains. The amorphous region spreads along the nanowire until two amorphous-crystalline interfaces are formed.
Efforts are underway to investigate dynamic fracture in silicon nitride nanowires.
Computational Assisted Development of Advanced Intermetallics Refractory metal intermetallics represent the most promising metal alloy technology for temperatures above 1200 C. Significant progress has been made in optimizing the creep resistance and oxidation resistance of these intermetallic alloys. However, overall strength of these materials must be extended to offer a significant advance beyond superalloys. Previously we have performed computational studies on the influence of alloy chemistry on the flow behavior of TiAl. Solid solution strengthening of the intermetallic phase can offer significant improvements in the yield stress of the two phase alloy system. Also, the site selection of ternary solutes and the density of thermal point defects give insight into alloying strategies for minimizing creep.