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Home > Molecular Modeling of the Sensitivities of Energetic Materials > Chapter 16 - Implementation of predictive models: Practical aspects
Molecular Modeling of the Sensitivities of Energetic Materials |
Didier Mathieu
Elsevier
Molecular Modeling of the Sensitivities of Energetic Materials
Chapter 16 - Implementation of predictive models: Practical aspects
Authors

Didier Mathieu; Romain Claveau; Julien Glorian

ARI Id

1665408304878_16691233

Access

Not Available Free

Pages

405-433

Table of Contents of Book
Showing 1 to 20 of 27 entries
Chapters/HeadingsAuthor(s)PagesInfo
Series Page
ii
Copyright
iv
Contributors
ix-x
Preface
Didier Mathieu
xi-xiii
Part I: Experimental aspects
Chapter 1 - Overview of energetic materials
Antoine Osmont; A. Lefrancois
3-27
Chapter 2 - Characterizing responses to insults from energetic materials
A. Lefrancois; Antoine Osmont; C. Collet; M. Vaullerin; V. Le Gallo
29-63
Part II: Relationships with molecular structure
Chapter 3 - Relationships with oxygen balance and bond dissociation energies
Betsy M. Rice; Edward F.C. Byrd
67-79
Chapter 4 - Properties of molecular charge distributions affecting the sensitivity of energetic materials
Itamar Borges; Roberta Siqueira Soldaini Oliveira; Marco Aurélio Souza Oliveira
81-105
Chapter 5 - Estimation methods for sensitivities to various stimuli
Aurélien Demenay; Laurent Catoire; Antoine Osmont
107-137
Chapter 6 - General quantitative structure–property relationships and machine learning correlations to energetic material sensitivities
Jason A. Morrill; Brian C. Barnes; Betsy M. Rice; Edward F.C. Byrd
139-156
Chapter 7 - Thermal initiation and propagation of the decomposition process
Romain Claveau; Julien Glorian; Didier Mathieu
157-169
Part III: Relationships involving the crystal structure
Chapter 8 - Some molecular and crystalline factors that affect the sensitivities of explosives
Peter Politzer; Jane S. Murray
173-194
Chapter 9 - Interplay between chemical and mechanical factors
Sergey V. Bondarchuk
195-213
Chapter 10 - From lattice vibrations to molecular dissociation
Adam A.L. Michalchuk; Carole A. Morrison
215-232
Chapter 11 - Role of electronic excited states in the initiation of explosives
Didier Mathieu; Romain Claveau; Julien Glorian
233-252
Part IV: Insight from numerical simulations
Chapter 12 - Molecular dynamics simulation of hot spot formation and chemical reactions
Didier Mathieu; Itamar Borges
255-289
Chapters/HeadingsAuthor(s)PagesInfo
Showing 1 to 20 of 27 entries
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