Ordering and Reverse Ordering Mechanisms of Triblock Copolymers in the Presence of Solvent (2009)
Panagiotis Maniadis, Kim O. Rasmussen, Russell B. Thompson, Edward M. Kober
Self-consistent field theory is used to study the self-assembly of a triblock copolymer melt. Two different external factors (temperature and solvent) are shown to affect the self-assembly. Either...
An Interaction Potential for Atomic Simulations of Conventional High Explosives (2008)
Heim, Andrew J., Gronbech-Jensen, Niels, Kober, Edward M., Erpenbeck, Jerome J., Germann, Timothy C.
In an effort to develop a chemically reactive interaction potential suitable for application to the study of conventional, organic explosives, we have modified the diatomic AB potential of Brenner et...
Molecular Dynamics Simulations of Detonation Instability (2008)
Heim, Andrew J., Gronbech-Jensen, Niels, Kober, Edward M., Germann, Timothy C.
After making modifications to the Reactive Empirical Bond Order potential for Molecular Dynamics (MD) of Brenner et al. in order to make the model behave in a more conventional manner, we discover...
The Influence of Interatomic Bonding Potentials on Detonation Properties (2006)
Heim, Andrew J., Grønbech-Jensen, Niels, Germann, Timothy C., Kober, Edward M., Holian, Brad Lee, Lomdahl, Peter S.
The dependence of macroscopic detonation properties of a two-dimensional diatomic (AB) molecular system on the fundamental properties of the molecule were investigated. This includes examining the...
Thermal decomposition of RDX from reactive molecular dynamics (2005)
Strachan, Alejandro, Kober, Edward M., Oxgaard, Jonas
We use the recently developed reactive force field ReaxFF with molecular dynamics to study thermal induced chemistry in RDX [cyclic-[CH2N(NO2)]3] at various temperatures and densities. We find that...
Electronic Structure in the Intervalence Transfer Absorption Band of a Mixed-Valence Dimer, (1998)
Kober,Edward M., Goldsby,Kenneth A., Narayana,D. N. S., Meyer,Thomas J.
Ordering and Reverse Ordering Mechanisms of Triblock Copolymers in the Presence of Solvent
Maniadis, Panagiotis, Rasmussen, Kim Ø., Thompson, Russell B., Kober, Edward M.
Self-consistent field theory is used to study the self-assembly of a triblock copolymer melt. Two different external factors (temperature and solvent) are shown to affect the self-assembly. Either...