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Direct growth of graphene by industrially scalable methods on suitable dielectric substrates is critical to the development of practical electronic and spintronic devices. Graphene growth by molecular beam epitaxy on the commensurate substrate h-BN(0001) and on other weakly interacting substrates has previously been demonstrated. We have been able to use MBE to grow graphene on incommensurate Co3O4(111),...
We report an approach to large-scale atomistic simulations of chemical initiation processes in shocked energetic materials based on a parallel implementation of the ReaxFF reactive force field. Here we present results of Compressive Shear Reactive Dynamics (CSRD) simulations on compressed PETN and RDX single crystal, conventional high explosives. We show that CSRD can evaluate anisotropy of shock...
A novel memory device based on an electrically driven molecular rotor was fabricated and demonstrated to have bistable switching effects. The device showed an on/off ratio of approximately 104, a read window of about 2.5 V, and retention performance of greater than 104 s. The analysis of the device I-V characteristics suggests the source of the observed switching effects to be the redox-induced ligand...
We report an approach to large-scale atomistic simulations of chemical initiation processes in shocked energetic materials based on parallel implementation of the ReaxFF reactive force field. Here, we present results of reactive molecular dynamics (MD) simulations of shocked Pentaerythritol Tetranitrate (PETN) single crystal, a conventional high explosive. We study a planar wall impact to compare...
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