In:
Nature Communications, Springer Science and Business Media LLC, Vol. 9, No. 1 ( 2018-06-22)
Abstract:
Finding new high-energy-density materials with desired properties has been intensely-pursued in recent decades. However, the contradictory relationship between high energy and low mechanical sensitivity makes the innovation of insensitive high-energy-density materials an enormous challenge. Here, we show how a materials genome approach can be used to accelerate the discovery of new insensitive high-energy explosives by identification of “genetic” features, rapid molecular design, and screening, as well as experimental synthesis of a target molecule, 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide. This as-synthesized energetic compound exhibits a graphite-like layered crystal structure with a high measured density of 1.95 g cm −3 , high thermal decomposition temperature of 284 °C, high detonation velocity of 9169 m s −1 , and extremely low mechanical sensitivities (impact sensitivity, 〉 60 J and friction sensitivity, 〉 360 N). Besides the considered system of six-member aromatic and hetero-aromatic rings, this materials genome approach can also be applicable to the development of new high-performing energetic materials.
Type of Medium:
Online Resource
ISSN:
2041-1723
DOI:
10.1038/s41467-018-04897-z
Language:
English
Publisher:
Springer Science and Business Media LLC
Publication Date:
2018
detail.hit.zdb_id:
2553671-0
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