Доступ предоставлен для: Guest
Портал Begell Электронная Бибилиотека e-Книги Журналы Справочники и Сборники статей Коллекции
International Journal of Energetic Materials and Chemical Propulsion
ESCI SJR: 0.28 SNIP: 0.421 CiteScore™: 0.9

ISSN Печать: 2150-766X
ISSN Онлайн: 2150-7678

Выпуски:
Том 19, 2020 Том 18, 2019 Том 17, 2018 Том 16, 2017 Том 15, 2016 Том 14, 2015 Том 13, 2014 Том 12, 2013 Том 11, 2012 Том 10, 2011 Том 9, 2010 Том 8, 2009 Том 7, 2008 Том 6, 2007 Том 5, 2002 Том 4, 1997 Том 3, 1994 Том 2, 1993 Том 1, 1991

International Journal of Energetic Materials and Chemical Propulsion

DOI: 10.1615/IntJEnergeticMaterialsChemProp.2013006517
pages 197-262

APPLICATIONS OF ENERGETIC MATERIALS BY A THEORETICAL METHOD (DISCOVER ENERGETIC MATERIALS BY A THEORETICAL METHOD)

Lulu Huang
Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375-5341, USA
Lou Massa
Hunter College and the Graduate School, City University of New York, New York, NY 10065, USA

Краткое описание

It has been shown that quantum chemical calculations can be used to Discover Energetic Materials by a Theoretical Method (DEMTM). The key quantity computed is the heat of formation. The computer program CHEETAH converts the heat of formation into calculated explosive properties. We test DEMTM for obtaining explosive properties against some 109 explosive materials and produce thereby their energetic characteristics. Thus, we have shown that DEMTM is appropriate to be used in a search across a database of materials to assess their usefulness as explosives.


Articles with similar content:

DISCOVERY OF ENERGETIC MATERIALS BY A THEORETICAL METHOD (DEMTM)
International Journal of Energetic Materials and Chemical Propulsion, Vol.10, 2011, issue 1
Jerome Karle, Lulu Huang, Lou Massa
Comparison of Methods of the Potential Gross Domestic Product Estimation
Journal of Automation and Information Sciences, Vol.38, 2006, issue 8
A. V. Bakun
COMPUTATIONALLY BASED DEVELOPMENT OF CHEMICAL KINETICS MECHANISMS FOR MODELING THE COMBUSTION CHAMBER DYNAMICS OF ROCKET PROPULSION SYSTEMS
International Journal of Energetic Materials and Chemical Propulsion, Vol.12, 2013, issue 1
Chiung-Chu Chen, Michael McQuaid, Anthony J. Kotlar, William R. Anderson, Michael J. Nusca
THERMAL TRANSPORT IN NANOSTRUCTURED ORGANIC-INORGANIC HYBRID MATERIALS
Annual Review of Heat Transfer, Vol.19, 2016, issue 1
Wee-Liat Ong, Jonathan A. Malen
A 3D PROGRESSIVE MATERIAL DAMAGE MODEL FOR FE SIMULATION OF MACHINING A UNIDIRECTIONAL FRP COMPOSITE
Composites: Mechanics, Computations, Applications: An International Journal, Vol.8, 2017, issue 2
Ming Luo, Baohai Wu, Yanli He, Ying Zhang