Shujie Liu, Bidong Wu, Jia-ni Xie, Zhimin Li, Chongwei An, Jingyu Wang, Xiaodong Li
Highly efficient design for the formulation of explosives is desired for accelerating the development of energetic materials. These investigations are focused on the preparation of the compounds 3,3′‐diamino‐4,4′‐azoxyfurazan (DAAF) and 1,1‐diamino‐2,2‐dinitroethylene (FOX‐7). DAAF/FOX‐7 microspheres are prepared via the self‐assembly method using different mass ratios of DAAF and FOX‐7. Materials Studio is used to analyze the intermolecular binding energy (Ebind) of the composite system. DAAF/FOX‐7 with a mass ratio of 90:10 shows a higher Ebind (183.24 kJ mol−1) and peak temperature at the heating rate of 0 °C min−1 (266.2 °C) than DAAF/FOX‐7 with a mass ratio of 70:30 and DAAF/FOX‐7 with a mass ratio of 80:20; this indicates that DAAF/FOX‐7 (90:10) shows better thermal stability. EXPLO5 is used to analyze the detonation velocity of the composite system, and the detonation velocity of DAAF/FOX‐7 microspheres increase by 0.5 km s−1 compared to that of DAAF. The characteristic drop height of impact sensitivity is more than 100 cm, and this demonstrates that the microspheres exhibit good safety performance. The morphology, crystal structure, thermal decomposition property, and impact sensitivity of the microspheres are investigated and compared. X‐ray diffraction and Fourier transform infrared spectroscopy results indicate that the structure of the DAAF/FOX‐7 composite is not changed compared to that of the raw material.
{"title":"Self‐Assembly Method for Insensitive DAAF/FOX‐7 Composite Crystals with Microspheres Structure","authors":"Shujie Liu, Bidong Wu, Jia-ni Xie, Zhimin Li, Chongwei An, Jingyu Wang, Xiaodong Li","doi":"10.1002/crat.202000194","DOIUrl":"https://doi.org/10.1002/crat.202000194","url":null,"abstract":"Highly efficient design for the formulation of explosives is desired for accelerating the development of energetic materials. These investigations are focused on the preparation of the compounds 3,3′‐diamino‐4,4′‐azoxyfurazan (DAAF) and 1,1‐diamino‐2,2‐dinitroethylene (FOX‐7). DAAF/FOX‐7 microspheres are prepared via the self‐assembly method using different mass ratios of DAAF and FOX‐7. Materials Studio is used to analyze the intermolecular binding energy (Ebind) of the composite system. DAAF/FOX‐7 with a mass ratio of 90:10 shows a higher Ebind (183.24 kJ mol−1) and peak temperature at the heating rate of 0 °C min−1 (266.2 °C) than DAAF/FOX‐7 with a mass ratio of 70:30 and DAAF/FOX‐7 with a mass ratio of 80:20; this indicates that DAAF/FOX‐7 (90:10) shows better thermal stability. EXPLO5 is used to analyze the detonation velocity of the composite system, and the detonation velocity of DAAF/FOX‐7 microspheres increase by 0.5 km s−1 compared to that of DAAF. The characteristic drop height of impact sensitivity is more than 100 cm, and this demonstrates that the microspheres exhibit good safety performance. The morphology, crystal structure, thermal decomposition property, and impact sensitivity of the microspheres are investigated and compared. X‐ray diffraction and Fourier transform infrared spectroscopy results indicate that the structure of the DAAF/FOX‐7 composite is not changed compared to that of the raw material.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"7 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82204499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Gallium(III) Oxide: Formation of High‐Quality Heteroepitaxial β‐Ga\u0000 2\u0000 O\u0000 3\u0000 Films by Crystal Phase Transition (Crystal Research and Technology 2/2021)","authors":"","doi":"10.1002/crat.202170012","DOIUrl":"https://doi.org/10.1002/crat.202170012","url":null,"abstract":"","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"12 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73091169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Masthead: Crystal Research and Technology 2'2021","authors":"","doi":"10.1002/crat.202170013","DOIUrl":"https://doi.org/10.1002/crat.202170013","url":null,"abstract":"","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"15 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80345279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
2D metallic transition metal dichalcogenides exhibit plenty of intriguing physical properties such as magnetism, charge density wave, and superconductivity resulting in worldwide attention from condensed‐matter physicists over the last few decades. Herein, the chemical synthesis and substrate temperature effect on the morphology of 2D vanadium disulfide (VS2) are reported. The synthesis is done by atmospheric pressure chemical vapor deposition using vanadium chloride (VCl3) precursor on SiO2/Si, fluorphlogopite mica, and hexagonal boron nitride (h‐BN) substrates. The effect of substrate temperatures on the morphology of 2D VS2 nanosheets growth is investigated by optical microscopy, scanning electron microscopy, and atomic force microscopy. Large area VS2 films are attained when the substrate temperature is 650 °C whereas VS2 single crystals are obtained at 550 °C.
{"title":"Chemical Synthesis and Substrate Temperature Effect on Morphology of 2D Vanadium Disulfide","authors":"Mongur Hossain, B. Qin, S. Sen","doi":"10.1002/crat.202000184","DOIUrl":"https://doi.org/10.1002/crat.202000184","url":null,"abstract":"2D metallic transition metal dichalcogenides exhibit plenty of intriguing physical properties such as magnetism, charge density wave, and superconductivity resulting in worldwide attention from condensed‐matter physicists over the last few decades. Herein, the chemical synthesis and substrate temperature effect on the morphology of 2D vanadium disulfide (VS2) are reported. The synthesis is done by atmospheric pressure chemical vapor deposition using vanadium chloride (VCl3) precursor on SiO2/Si, fluorphlogopite mica, and hexagonal boron nitride (h‐BN) substrates. The effect of substrate temperatures on the morphology of 2D VS2 nanosheets growth is investigated by optical microscopy, scanning electron microscopy, and atomic force microscopy. Large area VS2 films are attained when the substrate temperature is 650 °C whereas VS2 single crystals are obtained at 550 °C.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"32 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75783798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Managing a crystallization process adequately, it is possible to obtain a crystalline product having the desired crystal size distribution. Recommendations for selecting crystallization parameters that are needed to achieve this goal are given basing of a theoretical analysis in which special attention is paid to the growth of crystals from solutions with a preset concentration. Mathematical equations which enable calculation of the theoretical yield for the crystallization process have been elaborated. New formula giving the crystal nuclei number per unit volume as a function of both supersaturation and nucleation time has been devised based on the logistic kinetics of crystal nucleation proceeding under constant supersaturation. The quantitative relation between number density and mean size of crystals growing in batch crystallization is calculated. The calculation shows that the mean size of crystals reached at any time of their growth is inversely proportional to root third of the crystal number density.
{"title":"How to Manage a Crystallization Process Aimed at Obtaining a Desired Combination of Number of Crystals and Their Distribution by Size: Learn Here","authors":"C. Nanev","doi":"10.1002/crat.202000190","DOIUrl":"https://doi.org/10.1002/crat.202000190","url":null,"abstract":"Managing a crystallization process adequately, it is possible to obtain a crystalline product having the desired crystal size distribution. Recommendations for selecting crystallization parameters that are needed to achieve this goal are given basing of a theoretical analysis in which special attention is paid to the growth of crystals from solutions with a preset concentration. Mathematical equations which enable calculation of the theoretical yield for the crystallization process have been elaborated. New formula giving the crystal nuclei number per unit volume as a function of both supersaturation and nucleation time has been devised based on the logistic kinetics of crystal nucleation proceeding under constant supersaturation. The quantitative relation between number density and mean size of crystals growing in batch crystallization is calculated. The calculation shows that the mean size of crystals reached at any time of their growth is inversely proportional to root third of the crystal number density.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"100 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76995163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jun Zheng, W. Zhao, Ye Meng, Y. Jin, Jie Gao, P. Ma
The supramolecular self‐assembly of the outer surface of cucurbit[n]uril is one of the main areas of focus in cucurbit[n]uril chemistry. The crystal structure is determined by single‐crystal X‐ray diffraction and characterized. This work focuses on the supramolecular self‐assembly between CyP5Q[5], FeCl2, FeCl3 and CyP6Q[6] and HClO4 through the interaction of the outer surface.
{"title":"Supramolecular Self‐Assembly of Cyclopentyl‐Substituted Cucurbit[n]uril with Fe3+, Fe2+, and HClO4 Based on Outer Surface Interaction","authors":"Jun Zheng, W. Zhao, Ye Meng, Y. Jin, Jie Gao, P. Ma","doi":"10.1002/crat.202000183","DOIUrl":"https://doi.org/10.1002/crat.202000183","url":null,"abstract":"The supramolecular self‐assembly of the outer surface of cucurbit[n]uril is one of the main areas of focus in cucurbit[n]uril chemistry. The crystal structure is determined by single‐crystal X‐ray diffraction and characterized. This work focuses on the supramolecular self‐assembly between CyP5Q[5], FeCl2, FeCl3 and CyP6Q[6] and HClO4 through the interaction of the outer surface.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"44 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73368215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wenjia Su, Wei Yang, Jiulong Li, Xiaoming Han, Junfeng Wang
2D global transient model for generation‐six (G6) GT‐style furnace and upgraded generation‐seven (G7) ALD‐style furnace in which all types of heat transfer and flow are included is established to investigate the thermal field, melt convection, melt–crystal (m–c) interface shape, thermal stress, growth rate, and Voronkov ratios in the growing silicon ingot. The modeling is verified by the heater power and temperature experiment. Simulation results show that the melt flow is relatively stronger as the furnace upgrades. For G7, a relatively higher thermal stress and growth rate are found due to the higher temperature gradient both in the horizontal and axial directions. Furthermore, unlike the optimized G6, G7 shows the overly convex m–c interface in the initial stage and edge nucleation throughout crystal growth stage.
{"title":"Numerical Study of the Upgraded Hot Zone in Silicon Directional Solidification Process","authors":"Wenjia Su, Wei Yang, Jiulong Li, Xiaoming Han, Junfeng Wang","doi":"10.1002/crat.202000180","DOIUrl":"https://doi.org/10.1002/crat.202000180","url":null,"abstract":"2D global transient model for generation‐six (G6) GT‐style furnace and upgraded generation‐seven (G7) ALD‐style furnace in which all types of heat transfer and flow are included is established to investigate the thermal field, melt convection, melt–crystal (m–c) interface shape, thermal stress, growth rate, and Voronkov ratios in the growing silicon ingot. The modeling is verified by the heater power and temperature experiment. Simulation results show that the melt flow is relatively stronger as the furnace upgrades. For G7, a relatively higher thermal stress and growth rate are found due to the higher temperature gradient both in the horizontal and axial directions. Furthermore, unlike the optimized G6, G7 shows the overly convex m–c interface in the initial stage and edge nucleation throughout crystal growth stage.","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"57 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81446928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"55 Years of Crystal Research & Technology","authors":"W. Neumann, K. Benz, M. Zastrow","doi":"10.1002/CRAT.202000233","DOIUrl":"https://doi.org/10.1002/CRAT.202000233","url":null,"abstract":"","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"110 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75991509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"(Crystal Research and Technology 1/2021)","authors":"","doi":"10.1002/crat.202170010","DOIUrl":"https://doi.org/10.1002/crat.202170010","url":null,"abstract":"","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"64 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79055534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Masthead: Crystal Research and Technology 1'2021","authors":"","doi":"10.1002/crat.202170011","DOIUrl":"https://doi.org/10.1002/crat.202170011","url":null,"abstract":"","PeriodicalId":10797,"journal":{"name":"Crystal Research and Technology","volume":"3 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75303073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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