The ductile-to-brittle transition temperature(DBTT)of high strength steels can be optimized by tailoring microstructure and crystallographic orientation characteristics,where the start cooling temperature plays a key ...The ductile-to-brittle transition temperature(DBTT)of high strength steels can be optimized by tailoring microstructure and crystallographic orientation characteristics,where the start cooling temperature plays a key role.In this work,X70 steels with different start cooling temperatures were prepared through thermo-mechanical control process.The quasi-polygonal ferrite(QF),granular bainite(GB),bainitic ferrite(BF)and martensite-austenite constituents were formed at the start cooling temperatures of 780℃(C1),740℃(C2)and 700℃(C3).As start cooling temperature decreased,the amount of GB decreased,the microstructure of QF and BF increased.Microstructure characteristics of the three samples,such as high-angle grain boundaries(HAGBs),MA constituents and crystallographic orientation,also varied with the start cooling temperatures.C2 sample had the lowest DBTT value(−86℃)for its highest fraction of HAGBs,highest content of<110>oriented grains and lowest content of<001>oriented grains parallel to TD.The high density of{332}<113>and low density of rotated cube{001}<110>textures also contributed to the best impact toughness of C2 sample.In addition,a modified model was used in this paper to quantitatively predict the approximate DBTT value of steels.展开更多
Recent advancements have led to the synthesis of various new metal-containing explosives,particularly energetic metal-organic frameworks(EMOFs),which feature high-energy ligands within well-ordered crystalline structu...Recent advancements have led to the synthesis of various new metal-containing explosives,particularly energetic metal-organic frameworks(EMOFs),which feature high-energy ligands within well-ordered crystalline structures.These explosives exhibit significant advantages over traditional compounds,including higher density,greater heats of detonation,improved mechanical hardness,and excellent thermal stability.To effectively evaluate their detonation performance,it is crucial to have a reliable method for predicting detonation heat,velocity,and pressure.This study leverages experimental data and outputs from the leading commercial computer code to identify suitable decomposition pathways for different metal oxides,facilitating straightforward calculations for the detonation performance of alkali metal salts,and metal coordination compounds,along with EMOFs.The new model enhances predictive reliability for detonation velocities,aligning more closely with experimental results,as evi-denced by a root mean square error(RMSE)of 0.68 km/s compared to 1.12 km/s for existing methods.Furthermore,it accommodates a broader range of compounds,including those containing Sr,Cd,and Ag,and provides predictions for EMOFs that are more consistent with computer code outputs than previous predictive models.展开更多
In this paper we propose procedures to enhance testability by adding transitions of undefined states to state transition tables. In these procedures, transitions about undefined states, which are not described in stat...In this paper we propose procedures to enhance testability by adding transitions of undefined states to state transition tables. In these procedures, transitions about undefined states, which are not described in state transition tables but exist in a synthesized gate level circuit, are added to a state transition table. Experimental results for MCNC benchmarks are shown.展开更多
Magnetic properties of a two sublattice ferrimagnet with antiferromagnetic exchange interaction inside one of the sublattices are calculated within the framework of the molecular field theory taking into account the a...Magnetic properties of a two sublattice ferrimagnet with antiferromagnetic exchange interaction inside one of the sublattices are calculated within the framework of the molecular field theory taking into account the anisotropy of unstable sublattice. The magnetization curves of single crystal GdMn 2Ge 2 for the magnetic field parallel and perpendicular to the c axis at different temperatures are calculated. Field induced magnetic phase transitions in GdMn 2Ge 2 are discussed. Calculated H T magnetic phase diagrams are in fair agreement with experimental data.展开更多
The Bayesian approach is considered as the most general formulation of the state estimation for dynamic systems. However, most of the existing Bayesian estimators of stochastic hybrid systems only focus on the Markov ...The Bayesian approach is considered as the most general formulation of the state estimation for dynamic systems. However, most of the existing Bayesian estimators of stochastic hybrid systems only focus on the Markov jump system, few liter- ature is related to the estimation problem of nonlinear stochastic hybrid systems with state dependent transitions. According to this problem, a new methodology which relaxes quite a restrictive as- sumption that the mode transition process must satisfy Markov properties is proposed. In this method, a general approach is presented to model the state dependent transitions, the state and output spaces are discreted into cell space which handles the nonlinearities and computationally intensive problem offline. Then maximum a posterior estimation is obtained by using the Bayesian theory. The efficacy of the estimator is illustrated by a simulated example .展开更多
In this study,the effect of inclination angles relative to the building direction in the additively manufactured eutectic Al-5Mg-2Si alloy was investigated through the laser powder bed fusion(LPBF).The microstructures...In this study,the effect of inclination angles relative to the building direction in the additively manufactured eutectic Al-5Mg-2Si alloy was investigated through the laser powder bed fusion(LPBF).The microstructures and mechanical properties of the Al-5Mg-2Si alloy manufactured with different inclination angles(0°,30°,45°,60°and 90°)were reported and discussed.It is found that the“semicircular”melt pool(MP)in the load bearing face of 0°sample was eventually transformed into“stripe-like”MP in the 90°sample,accompanied by an increased fraction of melt pool boundaries(MPBs).Moreover,the microstructural analysis revealed that the columnar-to-equiaxed transition(CET)of theα-Al grains and eutectic Mg2Si was completed in the 90°sample,which were significantly refined with the average size of 10.6μm and 0.44μm,respectively.It is also found that the 90°sample exhibited good combination of strength and elongation(i.e.yield strength of 393 MPa,ultimate tensile strength of 483 MPa and elongation of 8.1%).The anisotropic mechanical properties were highly associated with the refined microstructures,thermal stress,and density of MPBs.Additionally,the CET driven by inclination angles was attributed to the variation of thermal conditions inside the local MPs.展开更多
Results of a hot stage polarization microscopy study on the first order phase-transitions in n-hexatriacontane hydrocarbon are presented.The main points discussed are(i)the intermediatary phase to monoclinic-->orth...Results of a hot stage polarization microscopy study on the first order phase-transitions in n-hexatriacontane hydrocarbon are presented.The main points discussed are(i)the intermediatary phase to monoclinic-->orthorhombic tran-sition and(ii)the transition boundary layer.展开更多
Poly(ethylene- co -chlorotrifluoroethylene) with a 1∶1 molar ratio of ethylene and chlorotrifluoroethylene in composition, PECTFE, is a statistically alternating copolymer widely used in cable coating industry. PECTF...Poly(ethylene- co -chlorotrifluoroethylene) with a 1∶1 molar ratio of ethylene and chlorotrifluoroethylene in composition, PECTFE, is a statistically alternating copolymer widely used in cable coating industry. PECTFE has been commonly characterized as a semicrystalline polymer with crystals melting at 238 ℃. Differential scanning calorimetry, thermal mechanical analysis and dynamic mechanical analysis indicated that PECTFE undergoes a reversible solid-solid transition during cooling and heating in the temperature range between 100 ℃ and 200 ℃. Based on detailed structural analysis via wide angle X-ray diffraction and electron diffraction techniques, we proposed that PECTFE possesses a hexagonal phase above 200 ℃( a =0 60 nm, c =0 49 nm) and an orthorhombic phase( a =0 99 nm, b =0 57 nm, c =0 49 nm) at room temperature.展开更多
A new robust bio-inspired route by using lysozyme aqueous solution for surface modification on 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)was described in this paper.HMX crystals were coated by in situ phase transitio...A new robust bio-inspired route by using lysozyme aqueous solution for surface modification on 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)was described in this paper.HMX crystals were coated by in situ phase transition of lysozyme(PTL)molecules.The HMX decorated by PTL was characterized by SEM,XRD,FTIR and XPS,demonstrating a dense core-shell coating layer.The coverage of lysozyme on HMX crystal was calculated by the ratio of sulfur content.The surface coverage increased from 60.5% to 93.5% when the content of PTL was changed from 0.5 wt% to 2.0 wt%,indicating efficient coating.The thermal stability of HMX was investigated by in situ XRD and DSC.The thermal phase transition temperature of HMX(β to δ phase)was delayed by 42℃ with 2.0 wt% PTL coating,which prevented HMX from thermal damage and sensitivity by the effect of PTL coating.After heating at 215℃,large cracks appeared in the naked HMX crystal,while the PTL coated HMX still maintained intact,with the impact energy of HMX dropped dramatically from 5 J to 2 J.However,the impact energy of HMX with 1.0 wt% and 2.0 wt% coating content(HMX@PTL-1.0 and HMX@PTL-2.0)was unchanged(5 J).Present results potentially enable large-scale fabrication of polymorphic energetic materials with outstanding thermal stability by novel lysozyme coating.展开更多
Using the full relativistic quantum mechanics (GRASP2), we have calculated systematically the 3P 2- 3P 1 and 3P 1- 3P 0 magnetic dipole M1 energy level separations, transition probabilities and oscillator strengths in...Using the full relativistic quantum mechanics (GRASP2), we have calculated systematically the 3P 2- 3P 1 and 3P 1- 3P 0 magnetic dipole M1 energy level separations, transition probabilities and oscillator strengths in the 3s3p configuration of the magnesium sequences. The two configurations 3s3p and 3p3d are used. Breit and QED effects are treated as high-order perturbations. Excellent comparison is obtained throughout the range of atomic number Z, and the inclusion of the 3p3d configuration gives results which are in good agreements with recent experimental and reference data.展开更多
In this work, comprehensive studies of 2,4-dinitroanisole(2,4DNAN) were carried out using powder thermorentgenography of the internal standard. The time of the complete polymorphic transition in the solid phase β→a ...In this work, comprehensive studies of 2,4-dinitroanisole(2,4DNAN) were carried out using powder thermorentgenography of the internal standard. The time of the complete polymorphic transition in the solid phase β→a in 2,4DNAN under various combinations of conditions has been determined. It has been established that, regardless of the season of manufacture of the substance, when it is stored for 8-9months, with a change in ambient temperature from minus 30℃ to plus 30℃, a complete polymorphic transition β→a occurs. When stored in conditions below minus 5℃, polymorphic transition does not occur. When stored in conditions above plus 30℃ in a closed container, polymorphic transition occurs within 3 weeks. The polymorphic transition is accompanied by a decrease in density by 1.3%-1.5% and an increase in melting temperature by 10-12℃, depending on the degree of purity of the starting substance. The activation energy of the molecular rearrangement was 68-70 k J/mol(16.5 ± 3 kcal/mol). The mechanism of polymorphic transition has been evaluated, which is presumably based on internal homodiffusion and energy transfer to the surface of the mass of powder particles and the product. The average activation energy of the polymorphic transition process was 110 ± 6.2 k J/mol(26.2 kcal/mol). In an open container, reactions proceed by a homogeneous mechanism, and in a closed container by a heterogeneous mechanism involving the gas phase.展开更多
The transition metal complexes of triaminoguanidine(TAG-M,where M=Cobalt(Co)or Iron(Fe))have been prepared.The catalytic effect of these complexes on the thermolysis of energetic composite based on nitrocellulose and ...The transition metal complexes of triaminoguanidine(TAG-M,where M=Cobalt(Co)or Iron(Fe))have been prepared.The catalytic effect of these complexes on the thermolysis of energetic composite based on nitrocellulose and diethylene glycol dinitrate,has been investigated.Extensive characterization of the resulting energetic composites was carried out using scanning electron microscopy(SEM),X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),and differential scanning calorimetry(DSC).Isoconversional kinetic analysis was performed to determine the Arrhenius parameters associated with the thermolysis of the elaborated energetic formulations.It is found that TAG-M complexes have strong catalytic effect on the thermo-kinetic decomposition of NC/DEGDN by decreasing the apparent activation energy and significantly increased the total heat release.The models that govern the decomposition processes are also studied,and it is revealed that different reaction processes are accomplished by introduction metal complexes of triaminoguanidine.Overall,this study serves as a valuable reference for future research focused on the investigation of catalytic combustion features of solid propellants.展开更多
Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TM...Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TMOs)are regarded as potential substitutes for PGMs because of their stability in oxidizing environments and excellent catalytic performance.In this study,comprehensive investigation into the influence of elastic strains on the adsorption energies of carbon(C),hydrogen(H)and oxygen(O)on TMOs was conducted.Based on density functional theory(DFT)calculations,these effects in both tetragonal structures(PtO_(2),PdO_(2))and hexagonal structures(ZnO,CdO),along with their respective transition metals were systematically explored.It was identified that the optimal adsorption sites on metal oxides pinpointed the top of oxygen or the top of metal atom,while face-centered cubic(FCC)and hexagonal close-packed(HCP)holes were preferred for the transition metals.Furthermore,under the influence of elastic strains,the results demonstrated significant disparities in the adsorption energies of H and O between oxides and transition metals.Despite these differences,the effect of elastic strains on the adsorption energies of C,H and O on TMOs mirrored those on transition metals:adsorption energies increased under compressive strains,indicating weaker adsorption,and decreased under tension strains,indicating stronger adsorption.This behavior was rationalized based on the d-band model for adsorption atop a metallic atom or the p-band model for adsorption atop an oxygen atom.Consequently,elastic strains present a promising avenue for tailoring the catalytic properties of TMOs.展开更多
The hydrogen evolution reaction(HER)is a promising way to produce hydrogen,and the use of non-precious metals with an excellent electrochemical performance is vital for this.Carbon-based transition metal catalysts hav...The hydrogen evolution reaction(HER)is a promising way to produce hydrogen,and the use of non-precious metals with an excellent electrochemical performance is vital for this.Carbon-based transition metal catalysts have high activity and stability,which are important in reducing the cost of hydrogen production and promoting the development of the hydrogen production industry.However,there is a lack of discussion regarding the effect of carbon components on the performance of these electrocatalysts.This review of the literature discusses the choice of the carbon components in these catalysts and their impact on catalytic performance,including electronic structure control by heteroatom doping,morphology adjustment,and the influence of self-supporting materials.It not only analyzes the progress in HER,but also provides guidance for synthesizing high-performance carbon-based transition metal catalysts.展开更多
Laser driven flyer plate technology offers improved safety and reliability for detonation of explosives in industrial applications ranging from mining and stone quarrying to the aerospace and defense industries.This s...Laser driven flyer plate technology offers improved safety and reliability for detonation of explosives in industrial applications ranging from mining and stone quarrying to the aerospace and defense industries.This study is based on developing a safer laser driven flyer plate prototype comprised of a laser initiator and a flyer plate subsystem that can be used with secondary explosives.System parameters were optimized to initiate the shock-to-detonation transition(SDT)of a secondary explosive based on the impact created by the flyer plate on the explosive surface.Rupture of the flyer was investigated at the mechanically weakened region located on the interface of these subsystems,where the product gases from the deflagration of the explosive provide the required energy.A bilayer energetic material was used,where the first layer consisted of a pyrotechnic component,zirconium potassium perchlorate(ZPP),for sustaining the ignition by the laser beam and the second layer consisted of an insensitive explosive,cyclotetramethylene-tetranitramine(HMX),for deflagration.A plexiglass interface was used to enfold the energetic material.The focal length of the laser beam from the diode was optimized to provide a homogeneous beam profile with maximum power at the surface of the ZPP.Closed bomb experiments were conducted in an internal volume of 10 cm^(3) for evaluation of performance.Dependency of the laser driven flyer plate system output on confinement,explosive density,and laser beam power were analyzed.Measurements using a high-speed camera resulted in a flyer velocity of 670±20 m/s that renders the prototype suitable as a laser detonator in applications,where controlled employment of explosives is critical.展开更多
基金Project(2018XK2301) supported by the Change-Zhu-Tan National Independent Innavation Demonstration Zone Special Program,China。
文摘The ductile-to-brittle transition temperature(DBTT)of high strength steels can be optimized by tailoring microstructure and crystallographic orientation characteristics,where the start cooling temperature plays a key role.In this work,X70 steels with different start cooling temperatures were prepared through thermo-mechanical control process.The quasi-polygonal ferrite(QF),granular bainite(GB),bainitic ferrite(BF)and martensite-austenite constituents were formed at the start cooling temperatures of 780℃(C1),740℃(C2)and 700℃(C3).As start cooling temperature decreased,the amount of GB decreased,the microstructure of QF and BF increased.Microstructure characteristics of the three samples,such as high-angle grain boundaries(HAGBs),MA constituents and crystallographic orientation,also varied with the start cooling temperatures.C2 sample had the lowest DBTT value(−86℃)for its highest fraction of HAGBs,highest content of<110>oriented grains and lowest content of<001>oriented grains parallel to TD.The high density of{332}<113>and low density of rotated cube{001}<110>textures also contributed to the best impact toughness of C2 sample.In addition,a modified model was used in this paper to quantitatively predict the approximate DBTT value of steels.
基金the research committee at Malek Ashtar University of Technology (MUT) for their invaluable support of this project
文摘Recent advancements have led to the synthesis of various new metal-containing explosives,particularly energetic metal-organic frameworks(EMOFs),which feature high-energy ligands within well-ordered crystalline structures.These explosives exhibit significant advantages over traditional compounds,including higher density,greater heats of detonation,improved mechanical hardness,and excellent thermal stability.To effectively evaluate their detonation performance,it is crucial to have a reliable method for predicting detonation heat,velocity,and pressure.This study leverages experimental data and outputs from the leading commercial computer code to identify suitable decomposition pathways for different metal oxides,facilitating straightforward calculations for the detonation performance of alkali metal salts,and metal coordination compounds,along with EMOFs.The new model enhances predictive reliability for detonation velocities,aligning more closely with experimental results,as evi-denced by a root mean square error(RMSE)of 0.68 km/s compared to 1.12 km/s for existing methods.Furthermore,it accommodates a broader range of compounds,including those containing Sr,Cd,and Ag,and provides predictions for EMOFs that are more consistent with computer code outputs than previous predictive models.
文摘In this paper we propose procedures to enhance testability by adding transitions of undefined states to state transition tables. In these procedures, transitions about undefined states, which are not described in state transition tables but exist in a synthesized gate level circuit, are added to a state transition table. Experimental results for MCNC benchmarks are shown.
文摘Magnetic properties of a two sublattice ferrimagnet with antiferromagnetic exchange interaction inside one of the sublattices are calculated within the framework of the molecular field theory taking into account the anisotropy of unstable sublattice. The magnetization curves of single crystal GdMn 2Ge 2 for the magnetic field parallel and perpendicular to the c axis at different temperatures are calculated. Field induced magnetic phase transitions in GdMn 2Ge 2 are discussed. Calculated H T magnetic phase diagrams are in fair agreement with experimental data.
基金supported by the National Natural Science Foundation of China (6097400161104121)the Fundamental Research Funds for the Central Universities (JUDCF11039)
文摘The Bayesian approach is considered as the most general formulation of the state estimation for dynamic systems. However, most of the existing Bayesian estimators of stochastic hybrid systems only focus on the Markov jump system, few liter- ature is related to the estimation problem of nonlinear stochastic hybrid systems with state dependent transitions. According to this problem, a new methodology which relaxes quite a restrictive as- sumption that the mode transition process must satisfy Markov properties is proposed. In this method, a general approach is presented to model the state dependent transitions, the state and output spaces are discreted into cell space which handles the nonlinearities and computationally intensive problem offline. Then maximum a posterior estimation is obtained by using the Bayesian theory. The efficacy of the estimator is illustrated by a simulated example .
基金Project(52071343)supported by the National Natural Science Foundation of China。
文摘In this study,the effect of inclination angles relative to the building direction in the additively manufactured eutectic Al-5Mg-2Si alloy was investigated through the laser powder bed fusion(LPBF).The microstructures and mechanical properties of the Al-5Mg-2Si alloy manufactured with different inclination angles(0°,30°,45°,60°and 90°)were reported and discussed.It is found that the“semicircular”melt pool(MP)in the load bearing face of 0°sample was eventually transformed into“stripe-like”MP in the 90°sample,accompanied by an increased fraction of melt pool boundaries(MPBs).Moreover,the microstructural analysis revealed that the columnar-to-equiaxed transition(CET)of theα-Al grains and eutectic Mg2Si was completed in the 90°sample,which were significantly refined with the average size of 10.6μm and 0.44μm,respectively.It is also found that the 90°sample exhibited good combination of strength and elongation(i.e.yield strength of 393 MPa,ultimate tensile strength of 483 MPa and elongation of 8.1%).The anisotropic mechanical properties were highly associated with the refined microstructures,thermal stress,and density of MPBs.Additionally,the CET driven by inclination angles was attributed to the variation of thermal conditions inside the local MPs.
文摘Results of a hot stage polarization microscopy study on the first order phase-transitions in n-hexatriacontane hydrocarbon are presented.The main points discussed are(i)the intermediatary phase to monoclinic-->orthorhombic tran-sition and(ii)the transition boundary layer.
文摘Poly(ethylene- co -chlorotrifluoroethylene) with a 1∶1 molar ratio of ethylene and chlorotrifluoroethylene in composition, PECTFE, is a statistically alternating copolymer widely used in cable coating industry. PECTFE has been commonly characterized as a semicrystalline polymer with crystals melting at 238 ℃. Differential scanning calorimetry, thermal mechanical analysis and dynamic mechanical analysis indicated that PECTFE undergoes a reversible solid-solid transition during cooling and heating in the temperature range between 100 ℃ and 200 ℃. Based on detailed structural analysis via wide angle X-ray diffraction and electron diffraction techniques, we proposed that PECTFE possesses a hexagonal phase above 200 ℃( a =0 60 nm, c =0 49 nm) and an orthorhombic phase( a =0 99 nm, b =0 57 nm, c =0 49 nm) at room temperature.
基金the China National Nature Science Foundation(Grant No.12102404)。
文摘A new robust bio-inspired route by using lysozyme aqueous solution for surface modification on 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)was described in this paper.HMX crystals were coated by in situ phase transition of lysozyme(PTL)molecules.The HMX decorated by PTL was characterized by SEM,XRD,FTIR and XPS,demonstrating a dense core-shell coating layer.The coverage of lysozyme on HMX crystal was calculated by the ratio of sulfur content.The surface coverage increased from 60.5% to 93.5% when the content of PTL was changed from 0.5 wt% to 2.0 wt%,indicating efficient coating.The thermal stability of HMX was investigated by in situ XRD and DSC.The thermal phase transition temperature of HMX(β to δ phase)was delayed by 42℃ with 2.0 wt% PTL coating,which prevented HMX from thermal damage and sensitivity by the effect of PTL coating.After heating at 215℃,large cracks appeared in the naked HMX crystal,while the PTL coated HMX still maintained intact,with the impact energy of HMX dropped dramatically from 5 J to 2 J.However,the impact energy of HMX with 1.0 wt% and 2.0 wt% coating content(HMX@PTL-1.0 and HMX@PTL-2.0)was unchanged(5 J).Present results potentially enable large-scale fabrication of polymorphic energetic materials with outstanding thermal stability by novel lysozyme coating.
文摘Using the full relativistic quantum mechanics (GRASP2), we have calculated systematically the 3P 2- 3P 1 and 3P 1- 3P 0 magnetic dipole M1 energy level separations, transition probabilities and oscillator strengths in the 3s3p configuration of the magnesium sequences. The two configurations 3s3p and 3p3d are used. Breit and QED effects are treated as high-order perturbations. Excellent comparison is obtained throughout the range of atomic number Z, and the inclusion of the 3p3d configuration gives results which are in good agreements with recent experimental and reference data.
基金supported by the Ministry of Science and Higher Education of the Russian Federation(Agreement with Zelinsky Institute of Organic Chemistry RAS Grant No.075-15-2020-803).
文摘In this work, comprehensive studies of 2,4-dinitroanisole(2,4DNAN) were carried out using powder thermorentgenography of the internal standard. The time of the complete polymorphic transition in the solid phase β→a in 2,4DNAN under various combinations of conditions has been determined. It has been established that, regardless of the season of manufacture of the substance, when it is stored for 8-9months, with a change in ambient temperature from minus 30℃ to plus 30℃, a complete polymorphic transition β→a occurs. When stored in conditions below minus 5℃, polymorphic transition does not occur. When stored in conditions above plus 30℃ in a closed container, polymorphic transition occurs within 3 weeks. The polymorphic transition is accompanied by a decrease in density by 1.3%-1.5% and an increase in melting temperature by 10-12℃, depending on the degree of purity of the starting substance. The activation energy of the molecular rearrangement was 68-70 k J/mol(16.5 ± 3 kcal/mol). The mechanism of polymorphic transition has been evaluated, which is presumably based on internal homodiffusion and energy transfer to the surface of the mass of powder particles and the product. The average activation energy of the polymorphic transition process was 110 ± 6.2 k J/mol(26.2 kcal/mol). In an open container, reactions proceed by a homogeneous mechanism, and in a closed container by a heterogeneous mechanism involving the gas phase.
文摘The transition metal complexes of triaminoguanidine(TAG-M,where M=Cobalt(Co)or Iron(Fe))have been prepared.The catalytic effect of these complexes on the thermolysis of energetic composite based on nitrocellulose and diethylene glycol dinitrate,has been investigated.Extensive characterization of the resulting energetic composites was carried out using scanning electron microscopy(SEM),X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),and differential scanning calorimetry(DSC).Isoconversional kinetic analysis was performed to determine the Arrhenius parameters associated with the thermolysis of the elaborated energetic formulations.It is found that TAG-M complexes have strong catalytic effect on the thermo-kinetic decomposition of NC/DEGDN by decreasing the apparent activation energy and significantly increased the total heat release.The models that govern the decomposition processes are also studied,and it is revealed that different reaction processes are accomplished by introduction metal complexes of triaminoguanidine.Overall,this study serves as a valuable reference for future research focused on the investigation of catalytic combustion features of solid propellants.
基金Science and Technology Commission of Shanghai Municipality(21ZR1472900,22ZR1471600)。
文摘Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TMOs)are regarded as potential substitutes for PGMs because of their stability in oxidizing environments and excellent catalytic performance.In this study,comprehensive investigation into the influence of elastic strains on the adsorption energies of carbon(C),hydrogen(H)and oxygen(O)on TMOs was conducted.Based on density functional theory(DFT)calculations,these effects in both tetragonal structures(PtO_(2),PdO_(2))and hexagonal structures(ZnO,CdO),along with their respective transition metals were systematically explored.It was identified that the optimal adsorption sites on metal oxides pinpointed the top of oxygen or the top of metal atom,while face-centered cubic(FCC)and hexagonal close-packed(HCP)holes were preferred for the transition metals.Furthermore,under the influence of elastic strains,the results demonstrated significant disparities in the adsorption energies of H and O between oxides and transition metals.Despite these differences,the effect of elastic strains on the adsorption energies of C,H and O on TMOs mirrored those on transition metals:adsorption energies increased under compressive strains,indicating weaker adsorption,and decreased under tension strains,indicating stronger adsorption.This behavior was rationalized based on the d-band model for adsorption atop a metallic atom or the p-band model for adsorption atop an oxygen atom.Consequently,elastic strains present a promising avenue for tailoring the catalytic properties of TMOs.
文摘The hydrogen evolution reaction(HER)is a promising way to produce hydrogen,and the use of non-precious metals with an excellent electrochemical performance is vital for this.Carbon-based transition metal catalysts have high activity and stability,which are important in reducing the cost of hydrogen production and promoting the development of the hydrogen production industry.However,there is a lack of discussion regarding the effect of carbon components on the performance of these electrocatalysts.This review of the literature discusses the choice of the carbon components in these catalysts and their impact on catalytic performance,including electronic structure control by heteroatom doping,morphology adjustment,and the influence of self-supporting materials.It not only analyzes the progress in HER,but also provides guidance for synthesizing high-performance carbon-based transition metal catalysts.
文摘Laser driven flyer plate technology offers improved safety and reliability for detonation of explosives in industrial applications ranging from mining and stone quarrying to the aerospace and defense industries.This study is based on developing a safer laser driven flyer plate prototype comprised of a laser initiator and a flyer plate subsystem that can be used with secondary explosives.System parameters were optimized to initiate the shock-to-detonation transition(SDT)of a secondary explosive based on the impact created by the flyer plate on the explosive surface.Rupture of the flyer was investigated at the mechanically weakened region located on the interface of these subsystems,where the product gases from the deflagration of the explosive provide the required energy.A bilayer energetic material was used,where the first layer consisted of a pyrotechnic component,zirconium potassium perchlorate(ZPP),for sustaining the ignition by the laser beam and the second layer consisted of an insensitive explosive,cyclotetramethylene-tetranitramine(HMX),for deflagration.A plexiglass interface was used to enfold the energetic material.The focal length of the laser beam from the diode was optimized to provide a homogeneous beam profile with maximum power at the surface of the ZPP.Closed bomb experiments were conducted in an internal volume of 10 cm^(3) for evaluation of performance.Dependency of the laser driven flyer plate system output on confinement,explosive density,and laser beam power were analyzed.Measurements using a high-speed camera resulted in a flyer velocity of 670±20 m/s that renders the prototype suitable as a laser detonator in applications,where controlled employment of explosives is critical.
