Journal ArticleDOI
Growth of 1,3,5‐Triamino‐2,4,6‐trinitrobenzene (TATB) I. Anisotropic thermal expansion
John R. Kolb,H. F. Rizzo +1 more
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TLDR
In this article, the volume coefficient of thermal expansion for crystalline TATB is 30.4 × 10−5 K−1, where K is the number of cells in a sheet.Abstract:
Expansion of TATB is studied on a molecular level by means of x-ray crystallography. Continuous monitoring of the cell constants of TATB between 214 K and 377 K allows calculation of a volume change of +5.1% for this molecular system. Expansion of the pure material is almost exclusively a function of a 4% linear increase in the c axis (the perpendicular distance between sheets of hydrogen-bonded TATB). Calculated from these data, the volume coefficient of thermal expansion for crystalline TATB is 30.4 × 10−5 K−1. The structural features of crystalline TATB and its anisotropic thermal-expansion behaviour are compared with those of graphite and boron nitride. Two other crystalline products in the bulk TATB are either actual polymorphs of TATB or impurities.read more
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Recent trends in high-energy materials
TL;DR: In this article, a review of high-energy materials is presented under several headings (thermally stable, heat-resistant, high performance, meltcastable, insensitive, energetic binders, and synthesized using N 2 O 5 ) and critically examines them from the point of view of stability, reliability, safety and specific application.
Journal ArticleDOI
2,4,6-triamino-1,3,5-trinitrobenzene (TATB) and TATB-based formulations--a review.
TL;DR: Syntheses including the production of nano-sized particles, analytical methods, thermophysical properties, performance, formulations, toxicity and safety of TATB are reviewed.
Journal ArticleDOI
Ab initio based force field and molecular dynamics simulations of crystalline TATB.
TL;DR: An all-atom force field for 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is presented and the calculated volume-temperature expansion is almost one dimensional along the c crystallographic axis, whereas under compression, all three unit cell axes participate, albeit unequally.
Journal ArticleDOI
A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6- trinitrobenzene as a function of pressure and temperature
Dmitry Bedrov,Oleg Borodin,Grant D. Smith,Thomas D. Sewell,Dana M. Dattelbaum,Lewis L. Stevens +5 more
TL;DR: Simulations indicate considerable anisotropy in the mechanical response, with modest softening and significant stiffening of the crystal with increased temperature and pressure, respectively, and the polarizable potential was found to yield better agreement with available experimental properties.
Journal ArticleDOI
Changes in Pore Size Distribution upon Thermal Cycling of TATB‐based Explosives Measured by Ultra‐Small Angle X‐Ray Scattering
Trevor M. Willey,Tony van Buuren,Jonathan R. I. Lee,George E. Overturf,John H. Kinney,Jeff Handly,Brandon L. Weeks,Jan Ilavsky +7 more
TL;DR: In this paper, void size distributions in the 2'nm to 2'μm regime, obtained from small-angle X-ray scattering measurements, are presented for LX-17-1, PBX-9502, and ultra-fine TATB formulations, both as processed and after thermal cycling.
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Journal ArticleDOI
Electronegativity values from thermochemical data
TL;DR: In this paper, the electronegativities of sixtynine elements have been calculated from the most recent thermochemical data, and the mean deviation of the calculated electronegativity difference, 0·208 √ †, from the difference of the average electrone-gativities is 0·046 units.
Journal ArticleDOI
Lattice Constants of Graphite at Low Temperatures
Y. Baskin,Lothar Meyer +1 more
TL;DR: The lattice constants of a graphite single crystal, natural graphite powder, and Artificial Graphite powder have been measured at 297, 4.2, and 4.0005 A. as discussed by the authors.
Journal ArticleDOI
The crystal structure of 1,3,5-triamino-2,4,6-trinitrobenzene
H. H. Cady,A. C. Larson +1 more
TL;DR: The compound 1,3, 5triamino2, 4, 6trinitrobenzene (TATB) is unusual in its thermal and solubility properties as mentioned in this paper.
Journal ArticleDOI
The thermal expansion of graphite from 15?c. to 800?c.: part I. Experimental
J B Nelson,D P Riley +1 more
TL;DR: The variation with temperature of the a and c unti-cell dimensions of hexagonal Ceylon graphite has been measured over the temperature range 15°-800°c by the X-ray powder method as mentioned in this paper.