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Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach
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Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach
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Journal Article
Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach
2018
Overview
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.
The synthesis of explosive materials that are stable, highly dense, and have low sensitivity to external stimuli is a challenge. Here, the authors use a genomic approach to accelerate the discovery of insensitive high explosive molecules with good detonation and low sensitivity properties.
Publisher
Nature Publishing Group UK,Nature Publishing Group,Nature Portfolio
Subject
