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Improved ductility of boron carbide by microalloying with boron suboxide
(American Chemical Society, 2015)
Boron carbide (B4C) is the third hardest material in nature, but applications are hindered by its brittle failure under impact. We found that this brittle failure of B4C arises from amorphous shear band formation due to ...
The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics
(Royal Society of Chemistry, 2015)
To gain an atomistic-level understanding of the experimental observation that the cocrystal TNT/CL-20 leads to decreased sensitivity, we carried out reactive molecular dynamics (RMD) simulations using the ReaxFF reactive ...