Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and...Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and hierarchical.Due to their porous nature,interfacial compatibility,and electrical conductivity,biomass materials hold significant potential as EMI shielding materials.Despite concerted efforts on the EMI shielding of biomass materials have been reported,this research area is still relatively new compared to traditional EMI shielding materials.In particular,a more comprehensive study and summary of the factors influencing biomass EMI shielding materials including the pore structure adjustment,preparation process,and micro-control would be valuable.The preparation methods and characteristics of wood,bamboo,cellulose and lignin in EMI shielding field are critically discussed in this paper,and similar biomass EMI materials are summarized and analyzed.The composite methods and fillers of various biomass materials were reviewed.this paper also highlights the mechanism of EMI shielding as well as existing prospects and challenges for development trends in this field.展开更多
Heat-resistant energetic materials refer to a type of energetic materials that possess a high melting point,high stability and operational safety. By studying the structures of these energetic materials has showed tha...Heat-resistant energetic materials refer to a type of energetic materials that possess a high melting point,high stability and operational safety. By studying the structures of these energetic materials has showed that the thermal stability can be enhanced by introducing amino groups to form intra/inter-molecular hydrogen bonds, constructing conjugate systems and designing symmetrical structures. This article aims to review the physical and chemical properties of ultra-high temperature heat-resistant energetic compounds and provide valuable theoretical insights for the preparation of ultra-high temperature heatresistant energetic materials. We also analyze the selected 20 heat-resistant energetic materials with decomposition temperatures higher than 350℃, serving as templates for the synthesis of various highperformance heat-resistant energetic materials.展开更多
The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development...The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development of the construction strategies for achieving zero-dimensional (0D), one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) micro/nanostructures from energetic molecules is introduced. Also, an overview of the unique properties induced by micro/nanostructures and size effects is provided. Special emphasis is focused on the size-dependent properties that are different from those of the conventional micro-sized energetic materials, such as thermal decomposition, sensitivity, combustion and detonation, and compaction behaviors. A conclusion and our view of the future development of micro/nano-energetic materials and devices are given.展开更多
Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing two nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structur...Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing two nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structure of DNBPDC（DNBPDC=2,2＇- dinitro-4,4＇-biphenyldicarboxylic acid） was determined by X-ray single crystal diffraction and the thermal decomposition was carried out through DSC and TG-DTG analyses.展开更多
A facile and economical approach was developed for the large-scale production of powdered core-shell structured PTFE/Al (CS-PA) energetic materials through ultrasonic-assisted mixing. The low-cost micrometer-sized PTF...A facile and economical approach was developed for the large-scale production of powdered core-shell structured PTFE/Al (CS-PA) energetic materials through ultrasonic-assisted mixing. The low-cost micrometer-sized PTFE and Al particles were used as starting materials. Under high-power ultrasonic waves, the PTFE powder was dispersed into nano-to sub-micrometer-sized particles and then encapsulated the Al microparticles to form the core-shell structure. The heat of combustion, burning rate, and pressurization rate of the powdered CS-PA were measured. The thermal-initiated reaction behavior was further evaluated using thermogravimetry-differential scanning calorimetry. Subsequently, the bulk CS-PA with a uniform microstructure was obtained via cold isostatic pressing of the powdered CS-PA followed by vacuum sintering. For the bulk CS-PA, the quasi-static compression behavior was characterized, and the impact-initiated reaction processes were conducted using the Split Hopkinson Pressure Bar (SHPB) and evaluated by a high-speed camera. Compared to physically mixed PTFE/Al materials, the powdered and bulk CS-PA demonstrated enhanced thermal- and impact-initiated reaction characteristics respectively, proving the effectiveness of our approach for constructing core-shell structures.展开更多
A solid sustained-release energetic material sample,an eruption device and a complete test system were prepared further to analyse the combustion characteristics of solid sustainedrelease energetic materials.The high-...A solid sustained-release energetic material sample,an eruption device and a complete test system were prepared further to analyse the combustion characteristics of solid sustainedrelease energetic materials.The high-temperature heat flux generated by the combustion of the samples from the eruption device was used to penetrate the Q235 target plate.In addition,the meaning and calculation formula of energy density characterising the all-around performance of heat flux were proposed.The numerical simulation of the combustion effect of samples was carried out.According to the data comparison,the numerical simulation results agreed with the experimental results,and the maximum deviation between the two was less than 8.9%.In addition,the structure of the combustion wave and high-temperature jet was proposed and analysed.Based on theoretical analysis,experimental research and numerical simulation,the theoretical burning rate formula of the sample was established.The maximum error between the theoretically calculated mass burning rate and the experimental results was less than 9.8%.Therefore,using the gas-phase steady-state combustion model to study the combustion characteristics of solid sustained-release energetic materials was reasonable.The theoretical burning rate formula also had high accuracy.Therefore,the model could provide scientific and academic guidance for the theoretical research,system design and practical application of solid sustained-release energetic materials in related fields.展开更多
A new energetic complex [Hg（DAT）Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. Th...A new energetic complex [Hg（DAT）Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P21/c space group, and a = 4.0342（3）, b = 17.7999（12）, c = 10.0127（7） , β = 91.558（1）°, V = 718.73（9） 3, Z = 4, CH4Cl2HgN6, Mr = 371.59, Dc = 3.434 g·cm-3, F（000） = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with Ⅰ 〉 2σ（Ⅰ）. The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.展开更多
A novel cuprous azide complex with the formula of [Cu2（dmpz）（N3）2]n（1, dmpz： 2,6-dimethylpyrazine） has been synthesized through hydrothermal synthesis with the reducibility of H3PO3 and structurally characteriz...A novel cuprous azide complex with the formula of [Cu2（dmpz）（N3）2]n（1, dmpz： 2,6-dimethylpyrazine） has been synthesized through hydrothermal synthesis with the reducibility of H3PO3 and structurally characterized by single-crystal X-ray diffraction method. Single-crystal X-ray diffraction analysis reveals the title complex represents a three-dimensional network structure featuring 2D [Cu N3]n plane units bridged by bridging dmpz ligands to form a 3D network. Research results reveal that 1 has lower impact sensitivity and friction sensitivity, which may be expected to become insensitive energetic material and have potential applications. Crystal data： monoclinic, space group C2/c, a = 17.8599（15）, b = 8.2889（5）, c = 14.8076（14） A, β = 113.2580（10）o, V = 2014.0（3） A3, Z = 8, S = 1.025, the final R = 0.0303, w R = 0.0825 for 1460 observed reflections with I 2σ（I） and R = 0.0386, wR = 0.0870 for all reflections. In addition, elemental analysis, IR, and sensitivity characterization are presented.展开更多
Energetic structural materials(ESMs)are a new type of structural materials with bearing and damage characteristics.In this work the microstructure,mechanical properties and energy release characteristics of multi-elem...Energetic structural materials(ESMs)are a new type of structural materials with bearing and damage characteristics.In this work the microstructure,mechanical properties and energy release characteristics of multi-element Ti-Zr-Ta alloys with good casting performance were studied.The microstructure of the Ti_(x)ZrTa alloys gradually change from BCC+HCP to single BCC structure with the increase of Ti.While the Ti_(2)Zr_(y)Ta alloys was still uniform and single BCC structure with the increase of Zr.The evolution of microstructure and composition then greatly affect the mechanical properties and energy-release characteristics of Ti-Zr-Ta alloys.The synergistic effect of dual phase structure increases the fracture strain of Ti_(x)ZrTa(x=0.2,0.5)with the Ti content decreases,while the fracture strain of Ti_(x)ZrTa(x=2.0,3.0,4.0)gradually increase with the Ti content increases caused by the annihilation of the obstacles for dislocation movement.And as Zr content increases,the fracture strain of Ti_(2)Zr_(y)Ta alloys decrease,then the oxidation reaction rate and fragmentation degree gradually increase.The higher oxidation rate and the lager exposed oxidation area jointly leads the higher releasing energy efficiency of Ti_(x)ZrTa alloys with low Ti content and Ti_(2)Zr_(y)Ta alloys with high Zr content.展开更多
A new complex of magnesium with tetrazole-l-acetic acid （tza） has been synthe- sized and characterized by elemental analysis and FT-IR spectrum. Single-crystal X-ray diffraction analysis determined the molecular for...A new complex of magnesium with tetrazole-l-acetic acid （tza） has been synthe- sized and characterized by elemental analysis and FT-IR spectrum. Single-crystal X-ray diffraction analysis determined the molecular formula as Mg（tza）2（H20）4. The crystal belongs to the triclinic system with Pi space group, and a = 6.133（2）, b = 6.488（2）, c = 10.0127（7） A, a = 77.282（10）, fl = 91.558（1）, ）, = 76.002（8）°, Y = 349.0（2）A3, Z = 1, C6HI4MgNsOs, Mr = 350.56, Dc = 1.668 g.cm-3, F（000） = 182,μ = 0.189, S = 1.000, the final R = 0.0294 and wR = 0.0785 for 1128 observed reflections with I 〉 20-（I）. In this molecule, the tza ion exhibits an infrequent monodentate coordination mode. The magnesium center is hexa-coordinated to a slightly distorted octahedral configuration by six oxygen atoms from two tza ligands and four coordinated water molecules. DSC and TG-DTG analyses were applied to assess the thermal decomposition behavior. The kinetic parameters of the exothermal peak were calculated by non-isothermal reaction kinetics. The values of critical temperature of thermal explosion, △S≠, △H≠ and △G^≠, were obtained as 596 K, -42.25 J mo1^-1 K^-1, 296.43 kJ mol^-1 and 323.53 kJ mol1, respectively.展开更多
The geometric structure, mechanism of detonation initiation and stability of transition metal carbohydrazide （CHZ） nitrates are investigated via density functional theory. The obtained results show that the Heyd-Scu...The geometric structure, mechanism of detonation initiation and stability of transition metal carbohydrazide （CHZ） nitrates are investigated via density functional theory. The obtained results show that the Heyd-Scuseria-Ernzerhof （HSE） functional yields the most accurate geometry. The initiating reaction of detonation in [Mn（CHZ）3]（NO3）2 and [Zn（CHZ）3]（NO3）2 is the formation of NO3 radicals. The calculated heat of formation and energy gap predict that the Mn and Zn complexes, which have the half-filled （3d5） and full-filled （3d10） electron configurations for the transition metal ions, respectively are more stable than the Co, Ni and Cu complexes. This indicates that the electron configuration of transition metal ion plays an important role in the stabilities of these energetic complexes.展开更多
Energetic structural materials(ESMs)integrated a high energy density and rapid energy release with the ability to serve as structural materials.Here,a novel triple-phase TiZrHfTa_(0.7)W_(0.3)high-entropy alloy(HEA)was...Energetic structural materials(ESMs)integrated a high energy density and rapid energy release with the ability to serve as structural materials.Here,a novel triple-phase TiZrHfTa_(0.7)W_(0.3)high-entropy alloy(HEA)was fabricated and investigated as a potential ESM.A hierarchical microstructure was obtained with a main metastable body-centered-cubic(BCC)matrix with distributed Ta-W-rich BCC precipitates of various sizes and interwoven hexagonal close-packed(HCP)lamellar nano-plates.The compressive me-chanical properties were tested across a range of strain rates and demonstrated a brittle-to-ductile tran-sition as the strain rate increased while maintaining a high ultimate strength of approximately 2.5 GPa.This was due to the phase transformation from metastable matrix BCC to HCP structures.In addition,during the dynamic deformation,metal combustion originating from the failure surface was observed.Furthermore,the composition of the fragments was studied,and the results indicated that the addition of tungsten promoted combustion.Finally,the potential application of this HEA was evaluated by high-velocity penetration tests,and the results were compared to other typical structural materials for pene-trators and bullets.A comparison was conducted by assessing the geometries of the penetration channel employing two dimensionless parameters normalized by the projectile size,representing longitudinal and lateral damage,respectively.The normalized depth of the TiZrHfTa_(0.7)W_(0.3)HEA projectile was comparable to those of the other investigated materials,but the normalized diameter was the largest,showing an excellent ability to deliver lateral damage.展开更多
基金National Natural Science Foundation of China(32201491)Young Elite Scientists Sponsorship Program by CAST(2023QNRC001)The authors extend their appreciation to the Deanship of Scientific Research at Northern Border University,Arar,KSA for funding this research work through the project number“NBU-FPEJ-2024-1101-02”.
文摘Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and hierarchical.Due to their porous nature,interfacial compatibility,and electrical conductivity,biomass materials hold significant potential as EMI shielding materials.Despite concerted efforts on the EMI shielding of biomass materials have been reported,this research area is still relatively new compared to traditional EMI shielding materials.In particular,a more comprehensive study and summary of the factors influencing biomass EMI shielding materials including the pore structure adjustment,preparation process,and micro-control would be valuable.The preparation methods and characteristics of wood,bamboo,cellulose and lignin in EMI shielding field are critically discussed in this paper,and similar biomass EMI materials are summarized and analyzed.The composite methods and fillers of various biomass materials were reviewed.this paper also highlights the mechanism of EMI shielding as well as existing prospects and challenges for development trends in this field.
基金supported by the National Natural Science Foundation of China(Grant Nos.21975127,22105102,and 22135003)Young Elite Scientist Sponsorship Program by CAST(Grant No.YESS20210074)the Fundamental Research Funds for the Central Universities(Grant No.30921011204)。
文摘Heat-resistant energetic materials refer to a type of energetic materials that possess a high melting point,high stability and operational safety. By studying the structures of these energetic materials has showed that the thermal stability can be enhanced by introducing amino groups to form intra/inter-molecular hydrogen bonds, constructing conjugate systems and designing symmetrical structures. This article aims to review the physical and chemical properties of ultra-high temperature heat-resistant energetic compounds and provide valuable theoretical insights for the preparation of ultra-high temperature heatresistant energetic materials. We also analyze the selected 20 heat-resistant energetic materials with decomposition temperatures higher than 350℃, serving as templates for the synthesis of various highperformance heat-resistant energetic materials.
基金Sponsored by National Natural Science Foundation of China (21231002,21276026,21271023,21173021,91022006,11202193,11172276,and 11072225)the 111 Project ( B07012)+1 种基金the Program of Cooperation of the Beijing Education Commission ( 20091739006)Specialized Research Fund for the Doctoral Program of Higher Education ( 20101101110031)
文摘The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development of the construction strategies for achieving zero-dimensional (0D), one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) micro/nanostructures from energetic molecules is introduced. Also, an overview of the unique properties induced by micro/nanostructures and size effects is provided. Special emphasis is focused on the size-dependent properties that are different from those of the conventional micro-sized energetic materials, such as thermal decomposition, sensitivity, combustion and detonation, and compaction behaviors. A conclusion and our view of the future development of micro/nano-energetic materials and devices are given.
基金supported by the opening project of State Key Laboratory of Explosion Science and Technology (Beijing Institute of Technology,No.KFJJ10-7M)Key Project of Inner Mongolia University of Technology(No. ZD200806)
文摘Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing two nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structure of DNBPDC（DNBPDC=2,2＇- dinitro-4,4＇-biphenyldicarboxylic acid） was determined by X-ray single crystal diffraction and the thermal decomposition was carried out through DSC and TG-DTG analyses.
基金This work was supported by the National Natural Science Foundation of China(No.51571033,11804022)the Science and Technology on Transient Impact Laboratory Foundation(No.6142606183208).
文摘A facile and economical approach was developed for the large-scale production of powdered core-shell structured PTFE/Al (CS-PA) energetic materials through ultrasonic-assisted mixing. The low-cost micrometer-sized PTFE and Al particles were used as starting materials. Under high-power ultrasonic waves, the PTFE powder was dispersed into nano-to sub-micrometer-sized particles and then encapsulated the Al microparticles to form the core-shell structure. The heat of combustion, burning rate, and pressurization rate of the powdered CS-PA were measured. The thermal-initiated reaction behavior was further evaluated using thermogravimetry-differential scanning calorimetry. Subsequently, the bulk CS-PA with a uniform microstructure was obtained via cold isostatic pressing of the powdered CS-PA followed by vacuum sintering. For the bulk CS-PA, the quasi-static compression behavior was characterized, and the impact-initiated reaction processes were conducted using the Split Hopkinson Pressure Bar (SHPB) and evaluated by a high-speed camera. Compared to physically mixed PTFE/Al materials, the powdered and bulk CS-PA demonstrated enhanced thermal- and impact-initiated reaction characteristics respectively, proving the effectiveness of our approach for constructing core-shell structures.
文摘A solid sustained-release energetic material sample,an eruption device and a complete test system were prepared further to analyse the combustion characteristics of solid sustainedrelease energetic materials.The high-temperature heat flux generated by the combustion of the samples from the eruption device was used to penetrate the Q235 target plate.In addition,the meaning and calculation formula of energy density characterising the all-around performance of heat flux were proposed.The numerical simulation of the combustion effect of samples was carried out.According to the data comparison,the numerical simulation results agreed with the experimental results,and the maximum deviation between the two was less than 8.9%.In addition,the structure of the combustion wave and high-temperature jet was proposed and analysed.Based on theoretical analysis,experimental research and numerical simulation,the theoretical burning rate formula of the sample was established.The maximum error between the theoretically calculated mass burning rate and the experimental results was less than 9.8%.Therefore,using the gas-phase steady-state combustion model to study the combustion characteristics of solid sustained-release energetic materials was reasonable.The theoretical burning rate formula also had high accuracy.Therefore,the model could provide scientific and academic guidance for the theoretical research,system design and practical application of solid sustained-release energetic materials in related fields.
基金Supported by the National Natural Science Foundation of China (10776002)State Key Laboratory of Science and Technology (No. ZDKT12-03 & QNKT11-06)the Program for New Century Excellent Talents in University (NCET-09-0051)
文摘A new energetic complex [Hg（DAT）Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P21/c space group, and a = 4.0342（3）, b = 17.7999（12）, c = 10.0127（7） , β = 91.558（1）°, V = 718.73（9） 3, Z = 4, CH4Cl2HgN6, Mr = 371.59, Dc = 3.434 g·cm-3, F（000） = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with Ⅰ 〉 2σ（Ⅰ）. The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.
基金Supported by the National Natural Science Foundation of China(No.21203160)Education Department Foundation of Shaanxi Province(No.12JK0631)+1 种基金Natural Science Foundation of Shaanxi Province(No.2013JM2013)Special Research Fund of Xianyang Normal University(No.11XSYK204,11XSYK205,12XSYK023)
文摘A novel cuprous azide complex with the formula of [Cu2（dmpz）（N3）2]n（1, dmpz： 2,6-dimethylpyrazine） has been synthesized through hydrothermal synthesis with the reducibility of H3PO3 and structurally characterized by single-crystal X-ray diffraction method. Single-crystal X-ray diffraction analysis reveals the title complex represents a three-dimensional network structure featuring 2D [Cu N3]n plane units bridged by bridging dmpz ligands to form a 3D network. Research results reveal that 1 has lower impact sensitivity and friction sensitivity, which may be expected to become insensitive energetic material and have potential applications. Crystal data： monoclinic, space group C2/c, a = 17.8599（15）, b = 8.2889（5）, c = 14.8076（14） A, β = 113.2580（10）o, V = 2014.0（3） A3, Z = 8, S = 1.025, the final R = 0.0303, w R = 0.0825 for 1460 observed reflections with I 2σ（I） and R = 0.0386, wR = 0.0870 for all reflections. In addition, elemental analysis, IR, and sensitivity characterization are presented.
基金supported by the National Natural Science Foundation of China(Grant Nos.52171166,11972372 and U20A20231)supported by Sinoma Institute of Materials Research(Guang Zhou)Co.,Ltd。
文摘Energetic structural materials(ESMs)are a new type of structural materials with bearing and damage characteristics.In this work the microstructure,mechanical properties and energy release characteristics of multi-element Ti-Zr-Ta alloys with good casting performance were studied.The microstructure of the Ti_(x)ZrTa alloys gradually change from BCC+HCP to single BCC structure with the increase of Ti.While the Ti_(2)Zr_(y)Ta alloys was still uniform and single BCC structure with the increase of Zr.The evolution of microstructure and composition then greatly affect the mechanical properties and energy-release characteristics of Ti-Zr-Ta alloys.The synergistic effect of dual phase structure increases the fracture strain of Ti_(x)ZrTa(x=0.2,0.5)with the Ti content decreases,while the fracture strain of Ti_(x)ZrTa(x=2.0,3.0,4.0)gradually increase with the Ti content increases caused by the annihilation of the obstacles for dislocation movement.And as Zr content increases,the fracture strain of Ti_(2)Zr_(y)Ta alloys decrease,then the oxidation reaction rate and fragmentation degree gradually increase.The higher oxidation rate and the lager exposed oxidation area jointly leads the higher releasing energy efficiency of Ti_(x)ZrTa alloys with low Ti content and Ti_(2)Zr_(y)Ta alloys with high Zr content.
基金Financial support to this work by the National Natural Science Foundation of China (No.10776002, 20911120033)the Project of State Key Laboratory of Science and Technology (ZDKT08-01, YBKT10-03)Doctoral Candidate Innovation Research Support Program by Science & Technology Review (kjdb201001-2)
文摘A new complex of magnesium with tetrazole-l-acetic acid （tza） has been synthe- sized and characterized by elemental analysis and FT-IR spectrum. Single-crystal X-ray diffraction analysis determined the molecular formula as Mg（tza）2（H20）4. The crystal belongs to the triclinic system with Pi space group, and a = 6.133（2）, b = 6.488（2）, c = 10.0127（7） A, a = 77.282（10）, fl = 91.558（1）, ）, = 76.002（8）°, Y = 349.0（2）A3, Z = 1, C6HI4MgNsOs, Mr = 350.56, Dc = 1.668 g.cm-3, F（000） = 182,μ = 0.189, S = 1.000, the final R = 0.0294 and wR = 0.0785 for 1128 observed reflections with I 〉 20-（I）. In this molecule, the tza ion exhibits an infrequent monodentate coordination mode. The magnesium center is hexa-coordinated to a slightly distorted octahedral configuration by six oxygen atoms from two tza ligands and four coordinated water molecules. DSC and TG-DTG analyses were applied to assess the thermal decomposition behavior. The kinetic parameters of the exothermal peak were calculated by non-isothermal reaction kinetics. The values of critical temperature of thermal explosion, △S≠, △H≠ and △G^≠, were obtained as 596 K, -42.25 J mo1^-1 K^-1, 296.43 kJ mol^-1 and 323.53 kJ mol1, respectively.
基金supported by the National Natural Science Foundation of China(No.20471008)the Natural Science Foundation of Chongqing(No.cstc2011jjA50013)the Chongqing Municipal Commission of Education(No.KJ111310)
文摘The geometric structure, mechanism of detonation initiation and stability of transition metal carbohydrazide （CHZ） nitrates are investigated via density functional theory. The obtained results show that the Heyd-Scuseria-Ernzerhof （HSE） functional yields the most accurate geometry. The initiating reaction of detonation in [Mn（CHZ）3]（NO3）2 and [Zn（CHZ）3]（NO3）2 is the formation of NO3 radicals. The calculated heat of formation and energy gap predict that the Mn and Zn complexes, which have the half-filled （3d5） and full-filled （3d10） electron configurations for the transition metal ions, respectively are more stable than the Co, Ni and Cu complexes. This indicates that the electron configuration of transition metal ion plays an important role in the stabilities of these energetic complexes.
基金supported by the National Natu-ral Science Foundation of China(Nos.51401028,51271193 and 11790292)the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB22040303)the Innovation Pro-gram(No.237099000000170004).
文摘Energetic structural materials(ESMs)integrated a high energy density and rapid energy release with the ability to serve as structural materials.Here,a novel triple-phase TiZrHfTa_(0.7)W_(0.3)high-entropy alloy(HEA)was fabricated and investigated as a potential ESM.A hierarchical microstructure was obtained with a main metastable body-centered-cubic(BCC)matrix with distributed Ta-W-rich BCC precipitates of various sizes and interwoven hexagonal close-packed(HCP)lamellar nano-plates.The compressive me-chanical properties were tested across a range of strain rates and demonstrated a brittle-to-ductile tran-sition as the strain rate increased while maintaining a high ultimate strength of approximately 2.5 GPa.This was due to the phase transformation from metastable matrix BCC to HCP structures.In addition,during the dynamic deformation,metal combustion originating from the failure surface was observed.Furthermore,the composition of the fragments was studied,and the results indicated that the addition of tungsten promoted combustion.Finally,the potential application of this HEA was evaluated by high-velocity penetration tests,and the results were compared to other typical structural materials for pene-trators and bullets.A comparison was conducted by assessing the geometries of the penetration channel employing two dimensionless parameters normalized by the projectile size,representing longitudinal and lateral damage,respectively.The normalized depth of the TiZrHfTa_(0.7)W_(0.3)HEA projectile was comparable to those of the other investigated materials,but the normalized diameter was the largest,showing an excellent ability to deliver lateral damage.
