LEADER 05248nam 22006495 450 001 9910734884503321 005 20230630130641.0 010 $a981-9926-99-8 024 7 $a10.1007/978-981-99-2699-2 035 $a(MiAaPQ)EBC30614304 035 $a(Au-PeEL)EBL30614304 035 $a(DE-He213)978-981-99-2699-2 035 $a(PPN)272273198 035 $a(CKB)27357712000041 035 $a(EXLCZ)9927357712000041 100 $a20230630d2023 u| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aIntrinsic Structures and Properties of Energetic Materials /$fby Chaoyang Zhang, Jing Huang, Rupeng Bu 205 $a1st ed. 2023. 210 1$aSingapore :$cSpringer Nature Singapore :$cImprint: Springer,$d2023. 215 $a1 online resource (469 pages) 311 08$aPrint version: Zhang, Chaoyang Intrinsic Structures and Properties of Energetic Materials Singapore : Springer Singapore Pte. Limited,c2023 9789819926985 327 $aIntroduction -- Classification of Energetic Crystals -- Application of molecular simulation methods in treating intrinsic structures of energetic materials -- Energetic molecules & single-component energetic molecular crystals -- Polymorphism and polymorphic transition in energetic molecular crystals -- Energetic ionic crystals -- Energetic cocrstals -- Energetic atomic crystals, energetic metallic crystals & energetic mixed-type crystals -- Hydrogen bonding, hydrogen transfer and halogen bonding -- ?-stacking in energetic crystals -- Crystal engineering for creating low sensitive and highly energetic materials. . 330 $aThis book highlights the intrinsic structures of all kinds of energetic compounds and some structure?property relationships therein. Energetic materials are a class of energy materials that can transiently release a large amount of gases and heat by self-redox after stimulated and usually refer to explosives, propellants and pyrotechnics. Nowadays, in combination with various theories and simulation-aided material design technologies, many new kinds of energetic materials like energetic extended solids, energetic ionic salts, energetic metal organic frames, energetic co-crystals and energetic perovskites have been created, in addition to traditional energetic molecular crystals. It is somewhat dazzling, and an issue of how we can understand these new types of energetic materials is raised. In the past about 20 years, we were immersed in the computational energetic materials. By means of defining a concept of intrinsic structures of energetic materials, which refers to the crystal packing structure of energetic materials, as well as molecule for molecular solid specially, the microscopic structures have been mostly clarified, and related with many macroscopic properties and performances, with molecular simulations. This book presents our understanding about it. Thereby, a simply and new way to readily understand energetic materials is expected to be paved, based on this book. It contains energetic molecular crystals, energetic ionic crystals, energetic atomic crystals, energetic metallic crystals and energetic mixed-type crystals and the substructures closest to crystal packing. Meanwhile, the common intermolecular interactions in energetic crystals will be introduced. In addition, theoretical and simulation methods for treating the intrinsic structures will be briefed, as they are the main tools to reveal the molecules and crystals. Besides, the polymorphism as a level of intrinsic structures will be briefly discussed. In the final of this book, we introduce the crystal engineering of energetic materials. This book features the first proposal of intrinsic structure and crystal engineering of energetic materials and the understanding of the properties and performances of energetic materials by maintaining a concept that structure determines property. It helps to promote the rationality in creating new energetic materials, rather than increase experience. 606 $aCondensed matter 606 $aAtomic structure  606 $aMolecular structure 606 $aMaterials science?Data processing 606 $aSurfaces (Physics) 606 $aStructure of Condensed Matter 606 $aAtomic and Molecular Structure and Properties 606 $aComputational Materials Science 606 $aSurface and Interface and Thin Film 615 0$aCondensed matter. 615 0$aAtomic structure . 615 0$aMolecular structure. 615 0$aMaterials science?Data processing. 615 0$aSurfaces (Physics). 615 14$aStructure of Condensed Matter. 615 24$aAtomic and Molecular Structure and Properties. 615 24$aComputational Materials Science. 615 24$aSurface and Interface and Thin Film. 676 $a530.411 700 $aZhang$b Chaoyang$01372623 701 $aHuang$b Jing$0413996 701 $aBu$b Rupeng$01372624 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910734884503321 996 $aIntrinsic Structures and Properties of Energetic Materials$93403528 997 $aUNINA