title: Surface effects on the crystallization of cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and the consequences for its N K X-ray emission spectrum.
abstract: Recent studies of the crystallization of cyclotrimethylene-trinitramine (RDX) have shown that the presence of the α- and β-phases of the compound is sensitive to the substrate when using drop cast crystallization methods. The specific phase has potential consequences for measurements of the nitrogen K X-ray emission spectrum (XES) that were recently reported for this compound using samples crystallized on In metal substrates. We have determined that the crystallization of RDX on a clean In metal substrate starts out completely as the β-phase but progressively incorporates the α-phase as the film thickens. In addition, we have carried out additional molecular orbital calculations of the N 1s X-ray fluorescence from the valence band, comparing the results expected from the α-and β- phases. The differences due to the presence of the β-phase instead of, or in addition to, the α-phase appear to be minimal.
authors.affiliation: Transportation Security Laboratory, Atlantic City, New Jersey 08405, USA.
authors.forename: Ilana G
authors.initials: IG
authors.lastname: Goldberg
authors.forename: Fernando D
authors.initials: FD
authors.lastname: Vila
authors.forename: Terrence
authors.initials: T
authors.lastname: Jach
mesh_terms: D003460:Crystallization; D008958:Models, Molecular; D009584:Nitrogen / Q000737:chemistry*; D011789:Quantum Theory; D013052:Spectrometry, X-Ray Emission; D013499:Surface Properties; D014227:Triazines / Q000737:chemistry*
chemical_list: D014227:Triazines; D009584:Nitrogen; C009160:cyclonite