Search
Now showing items 1-7 of 7
Micro indentation hardness testing of commercial-grade RDX crystals
(2016)
This paper describes the continuous micro indentation hardness testing of two
commercial grades of RDX with differing shock sensitivities using three (3)
different loads on a Berkovich indenter to obtain values of elastic ...
All Molecular Surfaces are Equal: Demanding Invariance of Predictions in Linear Single-Variable Models
(2016)
The molecular surface has been suggested to be a region of the molecule where information of non-covalent intermolecular interactions is present. Many workers have pursued this idea by constructing models based on statistical ...
A Study of the Detonation Properties, Propellant Impulses, Impact Sensitivities and Synthesis of Nitrated ANTA and NTO Derivatives
(2016)
Nitrated derivatives of 5-amino-3-nitro-1,2,4-triazole (ANTA)
and 3-nitro-1,2,4-triazol-5-one (NTO) were theoretically characterized with respect to their performance as high explosives and rocket propellants. The detonation ...
A Study of the Detonation Properties, Propellant Impulses, Impact Sensitivities and Synthesis of Nitrated ANTA and NTO Derivatives
(2016)
Nitrated derivatives of 5-amino-3-nitro-1,2,4-triazole (ANTA)
and 3-nitro-1,2,4-triazol-5-one (NTO) were theoretically characterized with respect to their performance as high explosives and rocket propellants. The detonation ...
Study of thermal instability of HMX crystalline polymorphs with and without molecular vacancies using reactive force field molecular dynamics
(2016)
The sensitivity of energetic materials can be identified by heat, friction, impact, shock, electrostatic charge, etc. A complexity of various factors may influence the sensitivity and among them are the crystal structure ...
A computational study of density of some high energy molecules
(2016)
The detonation pressure depends quadratically on the loading density of the explosives. A precise estimate of the density is thus crucial to decide if a novel energetic material is worth pursuing. In this work we investigate ...
A Critical Investigation of Proposed Electrostatic Corrections to Quantum Mechanical Volumes: The Importance of Variation and the Irrelevance of Imbalance
(2016)
The crystal density of neutral and ionic molecular crystals is remarkably well approximated by the enclosed volume of molecular surfaces, where these surfaces are defined as regions of constant and small electron density. ...