Millar D.I.A. Energetic materials at extreme conditions. - Heidelberg; New York: Springer, 2012. - xiv, 222 p.: ill. - (Springer theses). - ISBN 978-3-642-23131-5; ISSN 2190-5053  Место хранения:   027 | Институт химии твердого тела и механохимии CO РАН | Новосибирск

Оглавление / Contents

1 Introduction .............................................. 1 1.1 Energetic Materials .................................. 1 1.1.1 Definition .................................... 1 1.1.2 Classification ................................ 2 1.1.3 Energetic Performance ......................... 5 1.2 Polymorphism ......................................... 6 1.2.1 Definition .................................... 6 1.2.2 Implications of Polymorphism .................. 8 1.3 High Pressure ....................................... 12 1.3.1 General Concept .............................. 12 1.3.2 Previous High-Pressure Research .............. 14 1.4 General Aims and Outline of Research ................ 23 References ............................................... 24 2 Experimental Techniques .................................. 29 2.1 Complementarity of High-Pressure Techniques ......... 29 2.2 The Merrill-Bassett Diamond-Anvil Cell .............. 29 2.2.1 DAC Components ............................... 29 2.2.2 Pressure Measurement ......................... 33 2.2.3 Sample Loading ............................... 34 2.3 Experimental Techniques Using the Diamond-Anvil Cell ................................................ 35 2.3.1 X-Ray Single-Crystal Diffraction ............. 35 2.3.2 High-Pressure Single-Crystal X-Ray Diffraction .................................. 38 2.3.3 X-Ray Powder Diffraction ..................... 40 2.3.4 High-Pressure X-Ray Powder Diffraction ....... 42 2.3.5 X-Ray Sources: Laboratory Versus Synchrotron .................................. 43 2.3.6 Raman Spectroscopy ........................... 44 2.4 The Paris-Edinburgh Cell ............................ 46 2.4.1 Construction of the Paris-Edinburgh Cell ..... 46 2.4.2 Variable-Temperature Insert for the Paris-Edinburgh Cell ......................... 46 2.4.3 Pressure Measurement ......................... 48 2.5 Experimental Techniques Using the Paris-Edinburgh Cell ................................................ 48 2.5.1 Neutron Powder Diffraction ................... 48 2.5.2 Neutron Sources .............................. 49 2.6 Equations of State .................................. 51 References ............................................... 53 3 Structural Studies of RDX ................................ 55 3.1 Introduction ........................................ 55 3.2 Polymorphism of RDX ................................. 56 3.3 Aims ................................................ 61 3.4 Experimental ........................................ 62 3.4.1 Materials .................................... 62 3.4.2 High-Pressure Neutron Powder Diffraction ..... 64 3.4.3 Ambient-Pressure Single-Crystal X-Ray Diffraction .................................. 64 3.4.4 High-Pressure Single-Crystal X-Ray Diffraction .................................. 64 3.4.5 High-Pressure X-Ray Powder Diffraction ....... 65 3.4.6 DFT-MD Calculations .......................... 66 3.5 Results and Discussion .............................. 66 3.5.1 β-RDX: A Highly Metastable Polymorph at Ambient Conditions ........................... 66 3.5.2 Investigation of the High-Pressure/High- Temperature Form of RDX ...................... 72 3.5.3 δ-RDX: The Very-High-Pressure Form of RDX .... 82 3.6 Conclusions ......................................... 88 3.7 Suggestions for Further Work ........................ 89 References ............................................... 91 4 High-Pressure Structural Studies of CL-20 ................ 95 4.1 Introduction ........................................ 95 4.2 Polymorphism of CL-20 ............................... 95 4.2.1 Ambient-Pressure Studies ..................... 95 4.2.2 High-Pressure Studies ........................ 98 4.3 Aims ............................................... 100 4.4 Experimental ....................................... 100 4.4.1 Materials ................................... 100 4.4.2 High-Pressure X-Ray Powder Diffraction ...... 100 4.4.3 High-Pressure Neutron Powder Diffraction .... 101 4.4.4 High-Pressure Single-Crystal X-Ray Diffraction ................................. 101 4.4.5 Ambient-Pressure Single-Crystal X-Ray Diffraction ................................. 102 4.5 Results and Discussion ............................. 102 4.5.1 Compression of ε-CL-20 ...................... 102 4.5.2 Compression of γ-CL-20 ...................... 106 4.6 Conclusions ........................................ 121 4.7 Suggestions for Further Work ....................... 122 References .............................................. 123 5 Structural Investigation of a Series of Inorganic Azides .................................................. 125 5.1 General Introduction to Inorganic Azides ........... 125 5.1.1 Azides as Energetic Materials ............... 125 5.1.2 Structural Considerations ................... 126 5.1.3 Structure and Sensitivity ................... 127 5.2 Polymorphism of the 'Simple' Inorganic Azides ...... 128 5.2.1 NaN3 ........................................ 128 5.2.2 CsN3 ........................................ 131 5.2.3 TlN3 ........................................ 133 5.2.4 A Note on Nomenclature ...................... 135 5.3 Aims ............................................... 135 5.4 Experimental ....................................... 135 5.4.1 Materials ................................... 135 5.4.2 High-Pressure Neutron Powder Diffraction .... 137 5.4.3 High-Pressure/High-Temperature Neutron Powder Diffraction .......................... 137 5.4.4 High-Pressure X-Ray Powder Diffraction ...... 137 5.4.5 Ambient Pressure X-Ray Powder Diffraction ... 138 5.5 Results and Discussion ............................. 139 5.5.1 NaN3 ........................................ 139 5.5.2 CsN3 ........................................ 150 5.5.3 TlN3 ........................................ 158 5.6 Summary and Conclusions ............................ 176 5.7 Suggestions for Further Work ....................... 179 References .............................................. 180 6 Structural Investigation of a Series of Inorganic Azides .................................................. 183 6.1 Polymorphism of the 'More Complex' Inorganic Azides ............................................. 183 6.1.1 NH4N3 ....................................... 183 6.1.2 AgN3 ........................................ 184 6.1.3 Pb(N3)2 ..................................... 188 6.3.2 High-Pressure Neutron Powder Diffraction .... 190 6.4 Results and Discussion ............................. 191 6.4.1 NH4N3 ....................................... 191 6.4.2 AgN3 ........................................ 195 6.4.3 Pb(N3)2 ..................................... 203 6.5 Summary and Conclusions ............................ 208 6.6 Suggestions for Further Work ....................... 210 References .............................................. 211 7 General Remarks ......................................... 213 Appendix ................................................... 215