Novel Simulations of Energetic Materials: Circumventing Limitations in Existing Methodologies PDF Download
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Author:
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ISBN:
Category :
Languages : en
Pages : 19
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Book Description
We present a methodology for the efficient calculation of the shock Hugoniot using standard molecular simulation techniques. The method is an extension of an equation of state methodology proposed by J.J. Erpenbeck and is considered as an alternative to other methods that generate Hugoniot properties. We illustrate the methodology for shocked liquid N(sub2) using two different simulation methods: (a) the Reaction Ensemble Monte Carlo method for a reactive system; and (b) the molecular dynamics method for a non-reactive system. The method is shown to be accurate, stable and generally independent of the algorithm parameters. We find excellent agreement with results calculated by other previous simulation studies. The results show that the methodology provides a simulation tool capable of determining points on the shock Hugoniot from a single simulation in an efficient, straightforward manner.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 19
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Book Description
We present a methodology for the efficient calculation of the shock Hugoniot using standard molecular simulation techniques. The method is an extension of an equation of state methodology proposed by J.J. Erpenbeck and is considered as an alternative to other methods that generate Hugoniot properties. We illustrate the methodology for shocked liquid N(sub2) using two different simulation methods: (a) the Reaction Ensemble Monte Carlo method for a reactive system; and (b) the molecular dynamics method for a non-reactive system. The method is shown to be accurate, stable and generally independent of the algorithm parameters. We find excellent agreement with results calculated by other previous simulation studies. The results show that the methodology provides a simulation tool capable of determining points on the shock Hugoniot from a single simulation in an efficient, straightforward manner.
Author: A M Rajendran
Publisher: World Scientific
ISBN: 9814476684
Category : Technology & Engineering
Languages : en
Pages : 601
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Book Description
This book provides the reader with a unique opportunity to understand the basic and applied research and technology areas that support applications to enable Transformational capabilities for US Soldiers. The research papers are in line with the theme of the 24th Army Science Conference: “Transformational Science and Technology for the Current and Future Force,” emphasizing the critical role of Science and Technology in addressing the significant challenges posed by Global War On Terrorism while simultaneously developing Transformational capabilities for the Future Force.
Author: Rene Francisco Boschi Goncalves
Publisher: Engineering Science Reference
ISBN: 9781522529033
Category : Science
Languages : en
Pages : 0
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Book Description
"This book presents the state-of-the-art in energetic materials research, focusing in several different aspects. Thermal analysis, simulations (kinetics, quantum mechanical, thermodynamics, combustion etc.), aging and formulation development are presented. The book explores the future technologies and applications, and the limits existent in deep space exploration, in which the human body fails prior to the technology"--
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 6
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Book Description
We describe a new extensible software system to perform molecular simulations of energetic materials. A new approach for extensible software development based on an XML description of a program structure and a set of components stored in shared object libraries is described first. A specific example of molecular dynamics simulations for energetic materials is given next and this is finally expanded with the capability to perform molecular packing calculations to show the extensibility and applicability of the system.
Author: WeiQiang Pang
Publisher: Springer
ISBN: 9789811548338
Category : Technology & Engineering
Languages : en
Pages : 547
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Book Description
This book focuses on the combustion performance and application of innovative energetic materials for solid and hybrid space rocket propulsion. It provides a comprehensive overview of advanced technologies in the field of innovative energetic materials and combustion performance, introduces methods of modeling and diagnosing the aggregation/agglomeration of active energetic metal materials in solid propellants, and investigates the potential applications of innovative energetic materials in solid and hybrid propulsion. In addition, it also provides step-by-step solutions for sample problems to help readers gain a good understanding of combustion performance and potential applications of innovative energetic materials in space propulsion. This book serves as an excellent resource for researchers and engineers in the field of propellants, explosives, and pyrotechnics.
Author: Kenneth Train
Publisher: Cambridge University Press
ISBN: 0521766559
Category : Business & Economics
Languages : en
Pages : 399
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Book Description
This book describes the new generation of discrete choice methods, focusing on the many advances that are made possible by simulation. Researchers use these statistical methods to examine the choices that consumers, households, firms, and other agents make. Each of the major models is covered: logit, generalized extreme value, or GEV (including nested and cross-nested logits), probit, and mixed logit, plus a variety of specifications that build on these basics. Simulation-assisted estimation procedures are investigated and compared, including maximum stimulated likelihood, method of simulated moments, and method of simulated scores. Procedures for drawing from densities are described, including variance reduction techniques such as anithetics and Halton draws. Recent advances in Bayesian procedures are explored, including the use of the Metropolis-Hastings algorithm and its variant Gibbs sampling. The second edition adds chapters on endogeneity and expectation-maximization (EM) algorithms. No other book incorporates all these fields, which have arisen in the past 25 years. The procedures are applicable in many fields, including energy, transportation, environmental studies, health, labor, and marketing.
Author: Kira A. Armacost
Publisher:
ISBN: 9780841298057
Category : Drug development
Languages : en
Pages :
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Book Description
"This book is about Free Energy Methods in Drug Discovery: Current State and Future Directions"--
Author: Fadi Aldakheel
Publisher: Springer Nature
ISBN: 3030873129
Category : Science
Languages : en
Pages : 587
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Book Description
This Festschrift is dedicated to Professor Dr.-Ing. habil. Peter Wriggers on the occasion of his 70th birthday. Thanks to his high dedication to research, over the years Peter Wriggers has built an international network with renowned experts in the field of computational mechanics. This is proven by the large number of contributions from friends and collaborators as well as former PhD students from all over the world. The diversity of Peter Wriggers network is mirrored by the range of topics that are covered by this book. To name only a few, these include contact mechanics, finite & virtual element technologies, micromechanics, multiscale approaches, fracture mechanics, isogeometric analysis, stochastic methods, meshfree and particle methods. Applications of numerical simulation to specific problems, e.g. Biomechanics and Additive Manufacturing is also covered. The volume intends to present an overview of the state of the art and current trends in computational mechanics for academia and industry.
Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 256
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Book Description
Author:
Publisher:
ISBN:
Category : Power resources
Languages : en
Pages : 724
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Book Description
