Genome approach and data science methods for accelerated discovery of new solid propellants with desired properties

Abrukov, VS and Lukin, AN and Chandrasekaran, N and Oommen, C and Thianesh, UK and Mariappan, A and Sanal Kumar, VR and Anufrieva, DA (2020) Genome approach and data science methods for accelerated discovery of new solid propellants with desired properties. In: AIAA Propulsion and Energy 2020 Forum, August 24-28, 2020, VIRTUAL EVENT, pp. 1-11.

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Abstract

Joint Indo-Russian research team propose and describe the new concept and strategy of accelerated discovery of a new solid propellant with desired properties through the Energetic Materials Genome (EMG) approach and machine learning. Under the EMG approach-solid and liquid rocket propellants and gun-powders-we propose to understand the totality of multifactor computational models containing links between all the variables of the combustion and detonation process and allowing to determine the composition of the propellant, which provides the required burning rate at a given pressure and initial temperature, parameters of the burning law-dependence of the burning rate on pressure, temperature sensitivity of the burning rate, detonation rate, and sensitivity to external influences. We have used the ANN and develop models to predict the composition of propellant for a given predetermined set of performance and structural properties. This study is one of the first to demonstrate how an informatics framework can actually lead to the discovery of a new solid propellants. The interplay of structural, chemical and microstructural degrees of freedom introduces enormous complexity, especially if defects, solid solutions, non-stoichiometry and multi-component compounds are involved, which the current state-of-the-art tools are not yet designed to handle. © 2020, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

Item Type:	Conference Paper
Publication:	AIAA Propulsion and Energy 2020 Forum
Publisher:	American Institute of Aeronautics and Astronautics Inc, AIAA
Additional Information:	cited By 1; Conference of AIAA Propulsion and Energy 2020 Forum ; Conference Date: 24 August 2020 Through 28 August 2020; Conference Code:244349
Keywords:	Combustion knock; Data Science; Degrees of freedom (mechanics); Detonation; Genes; Liquid propellants; Propulsion; Rockets; Structural properties, Computational model; External influences; Initial temperatures; Micro-structural; Non stoichiometry; Science methods; State of the art; Temperature sensitivity, Solid propellants
Department/Centre:	Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Date Deposited:	27 Nov 2020 06:08
Last Modified:	27 Nov 2020 06:08
URI:	http://eprints.iisc.ac.in/id/eprint/66726

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