The pressure and temperature increase resulting from the impact of different threats onto target materials is analyzed with a unified laboratory-scale setup.This allows deriving qualitative information on the occurrin...The pressure and temperature increase resulting from the impact of different threats onto target materials is analyzed with a unified laboratory-scale setup.This allows deriving qualitative information on the occurring phenomenology as well as quantitative statements about the relative effects sizes as a function of target material and threat.The considered target materials are steel,aluminum,and magnesium.As threats,kinetic energy penetrator,explosively formed projectile,and shaped charge jet are used.For the investigated combinations,the measured overpressures vary by a factor of up to 5 for a variation of the material,by a factor of up to 7 for a variation of the threat,and by a factor larger than 15for a simultaneous variation of both.The obtained results as well as the experimental approach are relevant for the basic understanding of impact effects and risks due to material reactivity.The paper combines two main aims.Firstly,to provide a summary of own prior work in a coherent journal article and,secondly,to review and discuss these earlier results with a new perspective.展开更多
Aluminum(Al)powder is widely applied in thermobaric explosives due to its high energy density and favorable reaction kinetics.However,the inert oxide layer(Al_(2)O_(3))on Al particles limits combustion reactivity and ...Aluminum(Al)powder is widely applied in thermobaric explosives due to its high energy density and favorable reaction kinetics.However,the inert oxide layer(Al_(2)O_(3))on Al particles limits combustion reactivity and energy efficiency.Fluoride-based surface modification has been developed as an effective approach to address this issue.Here,four classical fluoropolymers(F11,F14,PVDF,PTFE)are employed as coatings to prepare core-shell Al/Fluoropolymer.The combustion experimental results demonstrate that the core-shell Al/PTFE exhibits the highest flame propagation rate(52.88 mm·ms^(-1))and pressure output(109.02 k Pa)performance.Consequently,core-shell Al/PTFE is selected as a high-energy fuel to prepare RDX/Al/PTFE microspheres via the emulsion and solvent evaporation method,which can enhance the energy performance of RDX.The effects of the core-shell Al/PTFE ratio and RDX content on the combustion heat and pressure output are systematically investigated.The peak pressure reaches a maximum of 187.8 k Pa when the mass ratio of RDX,Al,and PTFE is 60:25:10.Additionally,RDX/Al/PTFE microspheres exhibit significantly higher laser-induced air shock velocities,detonation heat,and detonation pressure than those of pure RDX and RDX/Al.The mechanism underlying the enhanced reactivity and energetic performance is attributed to the ability of PTFE to etch the inert Al_(2)O_(3)shell on the surface of Al particles,thereby improving post-combustion reactions and significantly increasing the overall energy output of RDX explosives.This work offers a novel design strategy for high-energy structural thermobaric explosives for the practical applications.展开更多
More detailed analysis of a mutual relationship of impact sensitivity(detected by sound) and crystal lattice free volume, △V, for the 18 nitramines shows that its course is not unequivocal. For a part of the studied ...More detailed analysis of a mutual relationship of impact sensitivity(detected by sound) and crystal lattice free volume, △V, for the 18 nitramines shows that its course is not unequivocal. For a part of the studied compounds this sensitivity has increased with increase of the AV values, but for fairly big number of nitramines the relationship works in the opposite direction, especially for data of 1,3,5-trinitro-1,3,5-triazinane, 1,3,5,7-tetranitro-1,3,5,7-tetrazocane. and β-and ε-polymorphs of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. Initiation reactivity of technical ε-polymorph of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane gives the impression by disorderliness in distribution of the actions of forces in its crystal lattice in comparison with its RS(reduced sensitivity) or chemically pure analogue. Limitations of partial shapes of the mentioned relationship by the molecular-structural similarity, and already published information about the decisive factors governing the crystal structure, signalizes a higher influence of the intermolecular interactions in a crystal lattice in comparison with influence of the crystal lattice free volume for initiation of the crystalline EMs.展开更多
The relationship between friction sensitivity(FS) and the crystal lattice free space per molecule, △V. of thirteen nitramines is described by a linear equation, divided into a number of the partial relationships with...The relationship between friction sensitivity(FS) and the crystal lattice free space per molecule, △V. of thirteen nitramines is described by a linear equation, divided into a number of the partial relationships with strong limitations by their molecular structure characteristics. Increasing FS due to raising of the △V values is not clearly confirmed. The influence of the △V values on friction sensitivity of nitramines is similar to that of their aza atoms which influence the mutual orientations of nitro groups in neighboring molecules. The dipole-dipole interaction of the oxygen and nitrogen atoms of nitro groups in neighboring nitramine molecules has a major effect on their own FS. In accordance with this interaction, a directly proportional relationship was derived between FS and the intrinsic gas phase molecular volume, V_(int), of the nitramines mentioned, which is divided also into several straight lines according to relatively tight molecular structure similarity. The relationships found again confirm a level of disorder in the distribution of the forces in the crystal lattice of the "common" quality of ε-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane, in comparison with its reduced sensitivity(RS) or chemically pure analogue.展开更多
In this paper,various core-shell structured Al—Ni@ECs composites have been prepared by a spray-drying technique.The involved ECs refer to the energetic composites(ECs)of ammonium perchlorate/nitrocellulose(AP/NC,NA)a...In this paper,various core-shell structured Al—Ni@ECs composites have been prepared by a spray-drying technique.The involved ECs refer to the energetic composites(ECs)of ammonium perchlorate/nitrocellulose(AP/NC,NA)and polyvinylidene fluoride/hexanitrohexaazaisowurtzitane(PVDF/CL-20,PC).Two Al—Ni mixtures were prepared at atomic ratios of 1:1 and 1:3 and named as Al/Ni and Al/3Ni,respectively.The thermal reactivity and combustion behaviors of Al—Ni@ECs composites have been comprehensively investigated.Results showed that the reactivity and combustion performance of Al—Ni could be enhanced by introducing both NA and PC energetic composites.Among which the Al/Ni@NA composite exhibited higher reactivity and improved combustion performance.The measured flame propagation rate(v=20.6 mm/s),average combustion wave temperature(T_(max)=1567.0°C)and maximum temperature rise rate(γ_(t)=1633.6°C/s)of Al/Ni@NA are higher than that of the Al/Ni(v=15.8 mm/s,T_(max)=858.0°C,andγ_(t)=143.5°C/s).The enhancement in combustion properties could be due to presence of the acidic gaseous products from ECs,which could etch the Al_(2)O_(3)shell on the surface of Al particles,and make the inner active Al to be easier transported,so that an intimate and faster intermetallic reaction between Al and Ni would be realized.Furthermore,the morphologies and chemical compositions of the condensed combustion products(CCPs)of Al—Ni@ECs composites were found to be different depending on the types of ECs.The compositions of CCPs are dominated with the Al—Ni intermetallics,combining with a trace amount of Al_(5)O_(6)N and Al_(2)O_(3).展开更多
A global and local charge transfer partitioning model,based on the cornerstone theory developed by Robert G.Parr and Robert G.Pearson,which introduces two charge transfer channels(one for accepting electrons(electroph...A global and local charge transfer partitioning model,based on the cornerstone theory developed by Robert G.Parr and Robert G.Pearson,which introduces two charge transfer channels(one for accepting electrons(electrophilic) and another for donating(nucleophilic)),is applied to the reaction of a set of indoles with 4,6-dinitrobenzofuroxan.The global analysis indicates that the prevalent electron transfer mechanism in the reaction is a nucleophilic one on the indoles,i.e.,the indoles under consideration transfer electrons to 4,6-dinitrobenzofuroxan.Evaluating the reactivity descriptorswith exchange-correlation functionals including exact exchange(global hybrids) yields slightly better correlations than those obtained with generalized gradient-approximated functionals;however,the trends are preserved.Comparing the trend obtained with the number of electrons donated by the indoles,and predicted by the partitioning model,with that observed experimentally based on the measured rate constants,we propose that the number of electrons transferred through this channel can be used as a nucleophilicity scale to order the reactivity of indoles towards 4,6-dinitrobenzofuroxan.This approach to obtain reactivity scales has the advantage of depending on the intrinsic properties of the two reacting species;therefore,it opens the possibility that the same group of molecules may show different reactivity trends depending on the species with which they are reacting.The local model allows systematic incorporation of the reactive atoms based on the their decreasing condensed Fukui functions,and the correlations obtained by increasing the number of reactive atoms participating in the local analysis of the transferred nucleophilic charge improve,reaching an optimal correlation,which in the present case indicates keeping three atoms from the indoles and two from 4,6-dinitrobenzofuroxan.The atoms selected by this procedure provide valuable information about the local reactivity of the indoles.We further show that this information about the most reactive atoms on each reactant,combined with the spatial distribution of the nucleophilic and electrophilic Fukui functions of both reactants,allows one to propose non-trivial candidates of starting geometries for the search of the transition state structures present in these reactions.展开更多
Inhibition mechanism between sodium （NaaAlF6） and sulfur on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and by impurity doping. The mechanism was discussed by scanning ...Inhibition mechanism between sodium （NaaAlF6） and sulfur on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and by impurity doping. The mechanism was discussed by scanning electron microscopy, energy-dispersive spectrometry, and X-ray powder diffraction. Results show that Na effectively inhibited S catalysis during carbon-air/CO2 reactions, and S inhibited the catalysis of Na during carbon- air reaction to a certain extent. A stable structure with a Na-to-S atomic ratio of 1.4 and a cyclic reaction system of ＂Na2SO3→ Na2S→Na2CO3→ Na2SO3＂ were likely the keys to producing this mutual inhibition.展开更多
The supported isolated Pt atoms(Pt iso)and other rare metals have attracted intensive concern due to their maximized metal utilization efficiency,unique reactivity or selectivity,connection to organometallic catalysis...The supported isolated Pt atoms(Pt iso)and other rare metals have attracted intensive concern due to their maximized metal utilization efficiency,unique reactivity or selectivity,connection to organometallic catalysis and the potential for making well-defined active sites[1-3].As catalytic active sites,oxide-supported isolated Pt-group metal atoms are well known for their unique reactivity and efficient metal utilization[4-6].Even continuous efforts have been made,it is still challenging to characterize the intrinsic ca-talytic activity of these dispersed active sites on oxide supports at a level that relates local electronic and geometric structure to function,because of their atomic dispersion,heterogeneity in the local coordination,dynamic changes in local coordination under reactive environments and low loading of metal[7-9].展开更多
To achieve aluminum particles with ultrafine granularity and high reactivity,the mechanical ball-milling method was adopted and three kinds of coatings,including stearic acid(SA),viton and dinitrotoluene(DNT),were add...To achieve aluminum particles with ultrafine granularity and high reactivity,the mechanical ball-milling method was adopted and three kinds of coatings,including stearic acid(SA),viton and dinitrotoluene(DNT),were added.The effects of milling time and different coatings on granularity and reactivity of ultrafine aluminum particles were studied.The structures of prepared ultrafine aluminum were characterized by scanning electron microscopy,X-ray particle diffraction and the thermal properties were analyzed by TG/DSC.Besides,the reactivity of prepared ultrafine aluminum particles was comprehensively analyzed and judged according to several thermodynamic parameters,the maximal oxidation rate,the oxidation degree of aluminum and the enthalpy change.The results revealed that aluminum particles prepared by the mechanical ball milling method were all flake-like and the particle sizes were below5 mm with nanometer-scale thickness.And the crystal form of aluminum was found to be unchanged.Besides,the ultrafine flake aluminum coated with stearic acid after milling for 5 h showed the highest reactivity with 56.1% of oxidation degree before 660℃,0.945 mg/℃ of maximal oxidation rate and 20491 J/g of enthalpy change.展开更多
Background and Objective Renal insufficiency(RI)is reported to be associated with increased ischemic and bleeding events after percutaneous coronary intervention(PCI),which is possibly due to high residual platelet re...Background and Objective Renal insufficiency(RI)is reported to be associated with increased ischemic and bleeding events after percutaneous coronary intervention(PCI),which is possibly due to high residual platelet reactivity(HRPR)during DAPT therapy.Therefore,we performed a large prospective observational study to evaluate the platelet reactivity and related clinical outcomes in real-world patients with different renal insufficiency stage after PCI,and to examine whether HRPR is associated with higher incidence of adverse cardiovascular events in a 2-year follow up.展开更多
Chemical reactivity towards electron transfer is captured by the Fukui function.However,this is not well defined when the system or its ions have degenerate or pseudo-degenerate ground states.In such a case,the first-...Chemical reactivity towards electron transfer is captured by the Fukui function.However,this is not well defined when the system or its ions have degenerate or pseudo-degenerate ground states.In such a case,the first-order chemical response is not independent of the perturbation and the correct response has to be computed using the mathematical formalism of perturbation theory for degenerate states.Spatialpseudo-degeneracy is ubiquitous in nanostructures with high symmetry and totally extended systems.Given the size of these systems,using degenerate-state perturbation theory is impractical because it requires the calculation of many excited states.Here we present an alternative to compute the chemical response of extended systems using models of local softness in terms of the local density of states.The local softness is approximately equal to the density of states at the Fermi level.However,such approximation leaves out the contribution of inner states.In order to include and weight the contribution of the states around the Fermi level,a model inspired by the long-range behavior of the local softness is presented.Single wall capped carbon nanotubes(SWCCNT)illustrate the limitation of the frontier orbital theory in extended systems.Thus,we have used a C360 SWCCNT to test the proposed model and how it compares with available models based on the local density of states.Interestingly,a simple Hückel approximation captures the main features of chemical response of these systems.Our results suggest that density-of-states models of the softness along simple tight binding Hamiltonians could be used to explore the chemical reactivity of more complex system,such a surfaces and nanoparticles.展开更多
The utilization of graded Al powders offers the possibility to adjust the combustion performance of Al powders,while simultaneously safeguarding their energy properties.In this paper,a series of graded Al powder have ...The utilization of graded Al powders offers the possibility to adjust the combustion performance of Al powders,while simultaneously safeguarding their energy properties.In this paper,a series of graded Al powder have been incorporated into the typical Al@AP composites through the spray drying technique.The thermal behavior,ignition and combustion characteristics were comprehensively evaluated and compared.The experimental results showed that with the varying inclusion of the graded Al,the heat of reaction exhibited a significant change,ranging from 9090 J·g^(-1) to 11036 J·g^(-1),which was strongly dependent on the particle size of Al.The combination of Al with diverse range of particle sizes in graded configuration serves to significantly enhance the decomposition of AP,resulting in the disappearance of the LTD stage and a conspicuous decrease of at least 11.7℃ in the peak temperature of the HTD.Furthermore,the maximum burning rate achieved by the Al-3@AP composite was 33.6 mm·s^(-1),which was exactly twice as high as that of the graded Al-1@AP composite with the lowest burning rate.Diffraction peaks corresponding to unburned Al were detected in the condensed combustion products of Al-1@AP,and the combustion images clearly indicated an incomplete combustion tendency for this sample.In contrast,a well-designed gradation of Al powders,such as a combination of fine Al powders with a particle size below 5μm,has proven to be the most conducive to enhancing the combustion efficiency of the composites.展开更多
The penetration-deflagration coupling damage performance of rod-like reactive shaped charge pene-trator(RRSCP)impacting thick steel plates is investigated by theoretical analysis and experiments.A penetration-deflagra...The penetration-deflagration coupling damage performance of rod-like reactive shaped charge pene-trator(RRSCP)impacting thick steel plates is investigated by theoretical analysis and experiments.A penetration-deflagration coupling damage model is developed to predict the penetration depth and cratering diameter.Four type of aluminum-polytetrafluoroethylene-copper(Al-PTFE-Cu)reactive liners with densities of 2.3,2.7,3.5,and 4.5 g·cm^(-3) are selected to conduct the penetration experiments.The comparison results show that model predictions are in good agreement with the experimental data.By comparing the penetration depth and cratering diameter in the inert penetration mode and the penetration-deflagration coupling mode,the influence mechanism that the penetration-induced chemical response is unfavorable to penetration but has an enhanced cratering effect is revealed.From the formation characteristics,penetration effect and penetration-induced chemical reaction be-haviors,the influence of reactive liner density on the penetration-deflagration performance is further analyzed.The results show that increasing the density of reactive liner significantly increases both the kinetic energy and length of the reactive penetrator,meanwhile effectively reduces the weakened effect of penetration-induced chemical response,resulting in an enhanced penetration capability.However,due to the decreased diameter and potential energy content of reactive penetrator,the cratering capa-bility is weakened significantly.展开更多
The detonation of fuel-rich explosives yields combustible products that persistently burn upon mixing with ambient oxygen,releasing additional energy through a phenomenon known as the afterburning effect.This process ...The detonation of fuel-rich explosives yields combustible products that persistently burn upon mixing with ambient oxygen,releasing additional energy through a phenomenon known as the afterburning effect.This process greatly influences the evolution of confined blast loading and the subsequent structural response,which is crucial in confined blast scenarios.Given the complex nature of the reaction process,accurate analysis of the afterburning effect remains challenging.Previous studies have either overlooked the mechanisms of detonation product combustion or failed to provide experimental validation.This study introduces a three-dimensional model to effectively characterize the combustion of detonation products.The model integrates chemical reaction source terms into the governing equations to consider the combustion processes.Numerical simulations and experimental tests were conducted to analyze the combustion and energy release from the detonation products of fuel-rich explosives in confined spaces.Approximately 50%of the energy was released during the combustion of detonation products in a confined TNT explosion.Although the combustion of these products was much slower than the detonation process,it aligned with the dynamic response of the structure,which enhanced the explosive yield.Excluding afterburning from the analysis reduced the center-point deformation of the structure by 30%.Following the inclusion of afterburning,the simulated quasistatic pressure increased by approximately 45%.Subsequent comparisons highlighted the merits of the proposed approach over conventional methods.This approach eliminates the reliance on empirical parameters,such as the amount and rate of energy release during afterburning,thereby laying the foundation for understanding load evolution in more complex environments,such as ships,buildings,and underground tunnels.展开更多
In this paper, the reactive splitter network and meta-surface are proposed to radiate the wide-beam isolated element pattern and suppress mutual coupling (MC) of the low-profile phased array with the triangular lattic...In this paper, the reactive splitter network and meta-surface are proposed to radiate the wide-beam isolated element pattern and suppress mutual coupling (MC) of the low-profile phased array with the triangular lattice, respectively. Thus, broadband wide-angle impedance matching (WAIM) is imple-mented to promote two-dimensional (2D) wide scanning. For the isolated element, to radiate the wide-beam patterns approximat-ing to the cosine form, two identical slots backed on one sub-strate integrated cavity are excited by the feeding network con-sisting of a reactive splitter and two striplines connected with splitter output paths. For adjacent elements staggered with each other, with the metasurface superstrate, the even-mode cou-pling voltages on the reactive splitter are cancelled out, yielding reduced MC. With the suppression of MC and the compensa-tion of isolated element patterns, WAIM is realized to achieve 2D wide-angle beam steering up to ± 65° in E-plane, ± 45° in H-plane and ± 60° in D-plane from 4.9 GHz to 5.85 GHz.展开更多
Zirconium,titanium,and other hexagonally close-packed(HCP)metals and their alloys are representative high specific strength,high reaction enthalpy,and high thermal conductivity structural materials.In this study,two t...Zirconium,titanium,and other hexagonally close-packed(HCP)metals and their alloys are representative high specific strength,high reaction enthalpy,and high thermal conductivity structural materials.In this study,two typical HCP metals,zirconium,and titanium,were applied to reactive materials(RMs)to prepare Zr/PTFE/W RMs and Ti/PTFE/W RMs,validating the feasibility of HCP metal/PTFE/W RMs.The impact response process of typical HCP metal/PTFE/W RMs under high-velocity dynamic loads was studied using shock equations of state(EOS)based on porous mixtures and chemical reaction kinetics equations.An improved hemispherical quasi-sealed test chamber was employed to measure the energy release characteristic curves of 10 types of Zr/PTFE/W RMs and Ti/PTFE/W RMs under impact velocities ranging from 500 m/s to 1300 m/s.The datasets of the impact-induced energy release characteristics of HCP metal/PTFE/W RMs were established.Additionally,the energy release efficiency of HCP metal/PTFE/W RMs under impact was predicted using the support vector regression(SVR)kernel function model.The datasets of Zr/PTFE/W RMs and Ti/PTFE/W RMs with W contents of 0%,25%,50%,and 75%were used as test sets,respectively.The model predictions showed a high degree of agreement with the experimental data,with mean absolute errors(MAE)of 4.8,6.5,4.6,and 4.1,respectively.展开更多
This study focused on the production of polypropylene(PP)/silver(Ag)composites via additive manufacturing.This study aimed to enhance the quality of medical-grade PP in material extrusion(MEX)three-dimensional printin...This study focused on the production of polypropylene(PP)/silver(Ag)composites via additive manufacturing.This study aimed to enhance the quality of medical-grade PP in material extrusion(MEX)three-dimensional printing(3DP)by improving its mechanical properties while simultaneously adding antibacterial properties.The latter can find extremely important and versatile properties that are applicable in defense and security domains.PP/Ag nanocomposites were prepared using a novel method based on a reaction occurring while mixing appropriate quantities of the starting polymers and additives,namely polyvinylpyrrolidone(PVP)as the matrix material and silver nitrate(AgNO_(3))as the filler.This process produced three-dimensional(3D)printed filaments,which were then used to create specimens for a series of standardized tests.It was found that the mechanical properties of the nanocomposites were enhanced in relation to pristine PP,especially for the PP matrix with various loadings of AgNO_(3)and PVP,such as 5.0 wt%and 2.5 wt%,respectively.The voids,inclusions,and actual-to-nominal dimensions also showed improved results.The 3DP specimens exhibited a more effective biocidal performance against Staphylococcus aureus than Escherichia coli,which developed an inhibition zone only in the case of PP with filler loading percentages of AgNO_(3)and PVP at 10.0 wt%and 5.0 wt%,respectively Compounds possessing such properties can be beneficial for various applications requiring increased mechanical properties and biocidal capabilities,such as in the Defence or medical industries.展开更多
Formation behaviors of rod-like reactive shaped charge penetrator(RRSCP)and their effects on damage capability are investigated by experiments and numerical simulations.The pulsed X-ray technology and a spaced aluminu...Formation behaviors of rod-like reactive shaped charge penetrator(RRSCP)and their effects on damage capability are investigated by experiments and numerical simulations.The pulsed X-ray technology and a spaced aluminum/steel plate with the thicknesses of 5 mm/100 mm are used.Three types of sphericalsegment aluminum-polytetrafluoroethylene-copper(Al-PTFE-Cu)reactive liners with Cu contents of 0%,46.6%,and 66%are fabricated and tested.The experimental results show that the reactive liners can form excellent rod-shaped penetrators with tail skirts under the shaped charge effect,but the tail skirts disappear over time.Moreover,rupturing damage to the aluminum plate and penetration to the steel plate are caused by the RRSCP impact.From simulation analysis,the RRSCP is formed by a mechanically and chemically coupled response with the reactive liner activated by shock in its outer walls and bottom and then backward overturning,forming a leading reactive penetrator and a following chemical energy cluster.The unique formation structure determines the damage modes of the aluminum plate and the steel plate.Further analysis indicates that the formation behaviors and damage capability of Al-PTFE-Cu RRSCP strongly depend on Cu content.With increasing Cu content,the velocity,activation extent,and reaction extent of Al-PTFE-Cu RRSCP decrease,which contribute to elongation and alleviate the negative effects of chemical reactions on elongation,significantly increasing the length-diameter ratio and thus enhancing the capability of steel plate penetration.However,the lower activation extent and energetic density will weaken the RRSCP's capability of causing rupturing damage to the aluminum plate.展开更多
文摘The pressure and temperature increase resulting from the impact of different threats onto target materials is analyzed with a unified laboratory-scale setup.This allows deriving qualitative information on the occurring phenomenology as well as quantitative statements about the relative effects sizes as a function of target material and threat.The considered target materials are steel,aluminum,and magnesium.As threats,kinetic energy penetrator,explosively formed projectile,and shaped charge jet are used.For the investigated combinations,the measured overpressures vary by a factor of up to 5 for a variation of the material,by a factor of up to 7 for a variation of the threat,and by a factor larger than 15for a simultaneous variation of both.The obtained results as well as the experimental approach are relevant for the basic understanding of impact effects and risks due to material reactivity.The paper combines two main aims.Firstly,to provide a summary of own prior work in a coherent journal article and,secondly,to review and discuss these earlier results with a new perspective.
基金supported by the National Natural Science Foundation of China(Grant Nos.T2222027 and 12202416)。
文摘Aluminum(Al)powder is widely applied in thermobaric explosives due to its high energy density and favorable reaction kinetics.However,the inert oxide layer(Al_(2)O_(3))on Al particles limits combustion reactivity and energy efficiency.Fluoride-based surface modification has been developed as an effective approach to address this issue.Here,four classical fluoropolymers(F11,F14,PVDF,PTFE)are employed as coatings to prepare core-shell Al/Fluoropolymer.The combustion experimental results demonstrate that the core-shell Al/PTFE exhibits the highest flame propagation rate(52.88 mm·ms^(-1))and pressure output(109.02 k Pa)performance.Consequently,core-shell Al/PTFE is selected as a high-energy fuel to prepare RDX/Al/PTFE microspheres via the emulsion and solvent evaporation method,which can enhance the energy performance of RDX.The effects of the core-shell Al/PTFE ratio and RDX content on the combustion heat and pressure output are systematically investigated.The peak pressure reaches a maximum of 187.8 k Pa when the mass ratio of RDX,Al,and PTFE is 60:25:10.Additionally,RDX/Al/PTFE microspheres exhibit significantly higher laser-induced air shock velocities,detonation heat,and detonation pressure than those of pure RDX and RDX/Al.The mechanism underlying the enhanced reactivity and energetic performance is attributed to the ability of PTFE to etch the inert Al_(2)O_(3)shell on the surface of Al particles,thereby improving post-combustion reactions and significantly increasing the overall energy output of RDX explosives.This work offers a novel design strategy for high-energy structural thermobaric explosives for the practical applications.
基金financial support from the Students Grant Projects No. SGSFCHT_2016002 of the Faculty of Chemical Technology at the University of Pardubicefinancial support The State Administration of Foreign Experts Affairs, Peoples Republic of China
文摘More detailed analysis of a mutual relationship of impact sensitivity(detected by sound) and crystal lattice free volume, △V, for the 18 nitramines shows that its course is not unequivocal. For a part of the studied compounds this sensitivity has increased with increase of the AV values, but for fairly big number of nitramines the relationship works in the opposite direction, especially for data of 1,3,5-trinitro-1,3,5-triazinane, 1,3,5,7-tetranitro-1,3,5,7-tetrazocane. and β-and ε-polymorphs of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. Initiation reactivity of technical ε-polymorph of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane gives the impression by disorderliness in distribution of the actions of forces in its crystal lattice in comparison with its RS(reduced sensitivity) or chemically pure analogue. Limitations of partial shapes of the mentioned relationship by the molecular-structural similarity, and already published information about the decisive factors governing the crystal structure, signalizes a higher influence of the intermolecular interactions in a crystal lattice in comparison with influence of the crystal lattice free volume for initiation of the crystalline EMs.
基金financial support from the Students Grant Projects No. SGSFCHT_2016002 of the Faculty of Chemical Technology at the University of Pardubicefinancial support of the Chinese State Administration of Foreign Experts Affairs
文摘The relationship between friction sensitivity(FS) and the crystal lattice free space per molecule, △V. of thirteen nitramines is described by a linear equation, divided into a number of the partial relationships with strong limitations by their molecular structure characteristics. Increasing FS due to raising of the △V values is not clearly confirmed. The influence of the △V values on friction sensitivity of nitramines is similar to that of their aza atoms which influence the mutual orientations of nitro groups in neighboring molecules. The dipole-dipole interaction of the oxygen and nitrogen atoms of nitro groups in neighboring nitramine molecules has a major effect on their own FS. In accordance with this interaction, a directly proportional relationship was derived between FS and the intrinsic gas phase molecular volume, V_(int), of the nitramines mentioned, which is divided also into several straight lines according to relatively tight molecular structure similarity. The relationships found again confirm a level of disorder in the distribution of the forces in the crystal lattice of the "common" quality of ε-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane, in comparison with its reduced sensitivity(RS) or chemically pure analogue.
基金supported by the Nation Natural Science Foundation of China(Grant No.51776176)the Fundamental Research Funds for the Central Universities,China(Grant No.G2017KY0301)+1 种基金partially funded by NSAF project(Grant No.2030202)sponsored by Innovation Foundation for Doctor Dissertation of Northwestern Polytechnical University(Grant No.CX2021048)。
文摘In this paper,various core-shell structured Al—Ni@ECs composites have been prepared by a spray-drying technique.The involved ECs refer to the energetic composites(ECs)of ammonium perchlorate/nitrocellulose(AP/NC,NA)and polyvinylidene fluoride/hexanitrohexaazaisowurtzitane(PVDF/CL-20,PC).Two Al—Ni mixtures were prepared at atomic ratios of 1:1 and 1:3 and named as Al/Ni and Al/3Ni,respectively.The thermal reactivity and combustion behaviors of Al—Ni@ECs composites have been comprehensively investigated.Results showed that the reactivity and combustion performance of Al—Ni could be enhanced by introducing both NA and PC energetic composites.Among which the Al/Ni@NA composite exhibited higher reactivity and improved combustion performance.The measured flame propagation rate(v=20.6 mm/s),average combustion wave temperature(T_(max)=1567.0°C)and maximum temperature rise rate(γ_(t)=1633.6°C/s)of Al/Ni@NA are higher than that of the Al/Ni(v=15.8 mm/s,T_(max)=858.0°C,andγ_(t)=143.5°C/s).The enhancement in combustion properties could be due to presence of the acidic gaseous products from ECs,which could etch the Al_(2)O_(3)shell on the surface of Al particles,and make the inner active Al to be easier transported,so that an intimate and faster intermetallic reaction between Al and Ni would be realized.Furthermore,the morphologies and chemical compositions of the condensed combustion products(CCPs)of Al—Ni@ECs composites were found to be different depending on the types of ECs.The compositions of CCPs are dominated with the Al—Ni intermetallics,combining with a trace amount of Al_(5)O_(6)N and Al_(2)O_(3).
基金UOV was supported in part by Conacyt through a doctoral fellowship. JLG thanks Conacyt for grant 237045, and AV thanks Conacyt for grant Fronteras 867.
文摘A global and local charge transfer partitioning model,based on the cornerstone theory developed by Robert G.Parr and Robert G.Pearson,which introduces two charge transfer channels(one for accepting electrons(electrophilic) and another for donating(nucleophilic)),is applied to the reaction of a set of indoles with 4,6-dinitrobenzofuroxan.The global analysis indicates that the prevalent electron transfer mechanism in the reaction is a nucleophilic one on the indoles,i.e.,the indoles under consideration transfer electrons to 4,6-dinitrobenzofuroxan.Evaluating the reactivity descriptorswith exchange-correlation functionals including exact exchange(global hybrids) yields slightly better correlations than those obtained with generalized gradient-approximated functionals;however,the trends are preserved.Comparing the trend obtained with the number of electrons donated by the indoles,and predicted by the partitioning model,with that observed experimentally based on the measured rate constants,we propose that the number of electrons transferred through this channel can be used as a nucleophilicity scale to order the reactivity of indoles towards 4,6-dinitrobenzofuroxan.This approach to obtain reactivity scales has the advantage of depending on the intrinsic properties of the two reacting species;therefore,it opens the possibility that the same group of molecules may show different reactivity trends depending on the species with which they are reacting.The local model allows systematic incorporation of the reactive atoms based on the their decreasing condensed Fukui functions,and the correlations obtained by increasing the number of reactive atoms participating in the local analysis of the transferred nucleophilic charge improve,reaching an optimal correlation,which in the present case indicates keeping three atoms from the indoles and two from 4,6-dinitrobenzofuroxan.The atoms selected by this procedure provide valuable information about the local reactivity of the indoles.We further show that this information about the most reactive atoms on each reactant,combined with the spatial distribution of the nucleophilic and electrophilic Fukui functions of both reactants,allows one to propose non-trivial candidates of starting geometries for the search of the transition state structures present in these reactions.
基金Projects(51374253,51574289)supported by the National Natural Science Foundation of China
文摘Inhibition mechanism between sodium （NaaAlF6） and sulfur on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and by impurity doping. The mechanism was discussed by scanning electron microscopy, energy-dispersive spectrometry, and X-ray powder diffraction. Results show that Na effectively inhibited S catalysis during carbon-air/CO2 reactions, and S inhibited the catalysis of Na during carbon- air reaction to a certain extent. A stable structure with a Na-to-S atomic ratio of 1.4 and a cyclic reaction system of ＂Na2SO3→ Na2S→Na2CO3→ Na2SO3＂ were likely the keys to producing this mutual inhibition.
文摘The supported isolated Pt atoms(Pt iso)and other rare metals have attracted intensive concern due to their maximized metal utilization efficiency,unique reactivity or selectivity,connection to organometallic catalysis and the potential for making well-defined active sites[1-3].As catalytic active sites,oxide-supported isolated Pt-group metal atoms are well known for their unique reactivity and efficient metal utilization[4-6].Even continuous efforts have been made,it is still challenging to characterize the intrinsic ca-talytic activity of these dispersed active sites on oxide supports at a level that relates local electronic and geometric structure to function,because of their atomic dispersion,heterogeneity in the local coordination,dynamic changes in local coordination under reactive environments and low loading of metal[7-9].
基金supported by the Natural Science Foundation of China (Project No51606102)the Fundamental Research Funds for the Central Universities (No. 30916011315)+3 种基金the Qing Lan Project, the Weapon Research Support Fund (No. 62201070827)a Project funded by the Priority Academic Program Development of Jiangsu Higher Education Institutionsthe Shanghai Aerospace Science and Technology Innovation Fund (SAST2015020)Basic Product Innovation Technology Research Project of Explosives
文摘To achieve aluminum particles with ultrafine granularity and high reactivity,the mechanical ball-milling method was adopted and three kinds of coatings,including stearic acid(SA),viton and dinitrotoluene(DNT),were added.The effects of milling time and different coatings on granularity and reactivity of ultrafine aluminum particles were studied.The structures of prepared ultrafine aluminum were characterized by scanning electron microscopy,X-ray particle diffraction and the thermal properties were analyzed by TG/DSC.Besides,the reactivity of prepared ultrafine aluminum particles was comprehensively analyzed and judged according to several thermodynamic parameters,the maximal oxidation rate,the oxidation degree of aluminum and the enthalpy change.The results revealed that aluminum particles prepared by the mechanical ball milling method were all flake-like and the particle sizes were below5 mm with nanometer-scale thickness.And the crystal form of aluminum was found to be unchanged.Besides,the ultrafine flake aluminum coated with stearic acid after milling for 5 h showed the highest reactivity with 56.1% of oxidation degree before 660℃,0.945 mg/℃ of maximal oxidation rate and 20491 J/g of enthalpy change.
文摘Background and Objective Renal insufficiency(RI)is reported to be associated with increased ischemic and bleeding events after percutaneous coronary intervention(PCI),which is possibly due to high residual platelet reactivity(HRPR)during DAPT therapy.Therefore,we performed a large prospective observational study to evaluate the platelet reactivity and related clinical outcomes in real-world patients with different renal insufficiency stage after PCI,and to examine whether HRPR is associated with higher incidence of adverse cardiovascular events in a 2-year follow up.
基金FONDECYT grants 1140313 and 11150164.CC and PFFinanciamiento Basal para CentrosCientíficos y Tecnológicos de Excelencia-FB0807+2 种基金project RC-130006 CILISthe Fondo de Innovación para la Competitividad del Ministeriode Economía,Fomento y Turismo de Chile.MMCONICYT through grant 21130691.
文摘Chemical reactivity towards electron transfer is captured by the Fukui function.However,this is not well defined when the system or its ions have degenerate or pseudo-degenerate ground states.In such a case,the first-order chemical response is not independent of the perturbation and the correct response has to be computed using the mathematical formalism of perturbation theory for degenerate states.Spatialpseudo-degeneracy is ubiquitous in nanostructures with high symmetry and totally extended systems.Given the size of these systems,using degenerate-state perturbation theory is impractical because it requires the calculation of many excited states.Here we present an alternative to compute the chemical response of extended systems using models of local softness in terms of the local density of states.The local softness is approximately equal to the density of states at the Fermi level.However,such approximation leaves out the contribution of inner states.In order to include and weight the contribution of the states around the Fermi level,a model inspired by the long-range behavior of the local softness is presented.Single wall capped carbon nanotubes(SWCCNT)illustrate the limitation of the frontier orbital theory in extended systems.Thus,we have used a C360 SWCCNT to test the proposed model and how it compares with available models based on the local density of states.Interestingly,a simple Hückel approximation captures the main features of chemical response of these systems.Our results suggest that density-of-states models of the softness along simple tight binding Hamiltonians could be used to explore the chemical reactivity of more complex system,such a surfaces and nanoparticles.
文摘The utilization of graded Al powders offers the possibility to adjust the combustion performance of Al powders,while simultaneously safeguarding their energy properties.In this paper,a series of graded Al powder have been incorporated into the typical Al@AP composites through the spray drying technique.The thermal behavior,ignition and combustion characteristics were comprehensively evaluated and compared.The experimental results showed that with the varying inclusion of the graded Al,the heat of reaction exhibited a significant change,ranging from 9090 J·g^(-1) to 11036 J·g^(-1),which was strongly dependent on the particle size of Al.The combination of Al with diverse range of particle sizes in graded configuration serves to significantly enhance the decomposition of AP,resulting in the disappearance of the LTD stage and a conspicuous decrease of at least 11.7℃ in the peak temperature of the HTD.Furthermore,the maximum burning rate achieved by the Al-3@AP composite was 33.6 mm·s^(-1),which was exactly twice as high as that of the graded Al-1@AP composite with the lowest burning rate.Diffraction peaks corresponding to unburned Al were detected in the condensed combustion products of Al-1@AP,and the combustion images clearly indicated an incomplete combustion tendency for this sample.In contrast,a well-designed gradation of Al powders,such as a combination of fine Al powders with a particle size below 5μm,has proven to be the most conducive to enhancing the combustion efficiency of the composites.
基金supported by the National Natural Science Foundation of China(Grant No.12172052)the Foundation of State Key Laboratory of Explosion Science and Safety Protection(Grant No.QKKT24-02).
文摘The penetration-deflagration coupling damage performance of rod-like reactive shaped charge pene-trator(RRSCP)impacting thick steel plates is investigated by theoretical analysis and experiments.A penetration-deflagration coupling damage model is developed to predict the penetration depth and cratering diameter.Four type of aluminum-polytetrafluoroethylene-copper(Al-PTFE-Cu)reactive liners with densities of 2.3,2.7,3.5,and 4.5 g·cm^(-3) are selected to conduct the penetration experiments.The comparison results show that model predictions are in good agreement with the experimental data.By comparing the penetration depth and cratering diameter in the inert penetration mode and the penetration-deflagration coupling mode,the influence mechanism that the penetration-induced chemical response is unfavorable to penetration but has an enhanced cratering effect is revealed.From the formation characteristics,penetration effect and penetration-induced chemical reaction be-haviors,the influence of reactive liner density on the penetration-deflagration performance is further analyzed.The results show that increasing the density of reactive liner significantly increases both the kinetic energy and length of the reactive penetrator,meanwhile effectively reduces the weakened effect of penetration-induced chemical response,resulting in an enhanced penetration capability.However,due to the decreased diameter and potential energy content of reactive penetrator,the cratering capa-bility is weakened significantly.
基金supported by the National Natural Science Foundation of China(Grant Nos.52171318 and 12202329)Joint Foundation of the Ministry of Education(Grant No.8091B022105)。
文摘The detonation of fuel-rich explosives yields combustible products that persistently burn upon mixing with ambient oxygen,releasing additional energy through a phenomenon known as the afterburning effect.This process greatly influences the evolution of confined blast loading and the subsequent structural response,which is crucial in confined blast scenarios.Given the complex nature of the reaction process,accurate analysis of the afterburning effect remains challenging.Previous studies have either overlooked the mechanisms of detonation product combustion or failed to provide experimental validation.This study introduces a three-dimensional model to effectively characterize the combustion of detonation products.The model integrates chemical reaction source terms into the governing equations to consider the combustion processes.Numerical simulations and experimental tests were conducted to analyze the combustion and energy release from the detonation products of fuel-rich explosives in confined spaces.Approximately 50%of the energy was released during the combustion of detonation products in a confined TNT explosion.Although the combustion of these products was much slower than the detonation process,it aligned with the dynamic response of the structure,which enhanced the explosive yield.Excluding afterburning from the analysis reduced the center-point deformation of the structure by 30%.Following the inclusion of afterburning,the simulated quasistatic pressure increased by approximately 45%.Subsequent comparisons highlighted the merits of the proposed approach over conventional methods.This approach eliminates the reliance on empirical parameters,such as the amount and rate of energy release during afterburning,thereby laying the foundation for understanding load evolution in more complex environments,such as ships,buildings,and underground tunnels.
基金supported by Sichuan Science and Technology Programs(2022NSFSC0547,2022ZYD0109)the 2020 Open Foundation of Key Laboratory of Cognitive Radio and Information Processing,Ministry of Education(Guilin University of Electronic Technology)(CRKL200201).
文摘In this paper, the reactive splitter network and meta-surface are proposed to radiate the wide-beam isolated element pattern and suppress mutual coupling (MC) of the low-profile phased array with the triangular lattice, respectively. Thus, broadband wide-angle impedance matching (WAIM) is imple-mented to promote two-dimensional (2D) wide scanning. For the isolated element, to radiate the wide-beam patterns approximat-ing to the cosine form, two identical slots backed on one sub-strate integrated cavity are excited by the feeding network con-sisting of a reactive splitter and two striplines connected with splitter output paths. For adjacent elements staggered with each other, with the metasurface superstrate, the even-mode cou-pling voltages on the reactive splitter are cancelled out, yielding reduced MC. With the suppression of MC and the compensa-tion of isolated element patterns, WAIM is realized to achieve 2D wide-angle beam steering up to ± 65° in E-plane, ± 45° in H-plane and ± 60° in D-plane from 4.9 GHz to 5.85 GHz.
基金sponsored by the National Natural Science Foundation of China(Grant Nos.U2241285,62201267)。
文摘Zirconium,titanium,and other hexagonally close-packed(HCP)metals and their alloys are representative high specific strength,high reaction enthalpy,and high thermal conductivity structural materials.In this study,two typical HCP metals,zirconium,and titanium,were applied to reactive materials(RMs)to prepare Zr/PTFE/W RMs and Ti/PTFE/W RMs,validating the feasibility of HCP metal/PTFE/W RMs.The impact response process of typical HCP metal/PTFE/W RMs under high-velocity dynamic loads was studied using shock equations of state(EOS)based on porous mixtures and chemical reaction kinetics equations.An improved hemispherical quasi-sealed test chamber was employed to measure the energy release characteristic curves of 10 types of Zr/PTFE/W RMs and Ti/PTFE/W RMs under impact velocities ranging from 500 m/s to 1300 m/s.The datasets of the impact-induced energy release characteristics of HCP metal/PTFE/W RMs were established.Additionally,the energy release efficiency of HCP metal/PTFE/W RMs under impact was predicted using the support vector regression(SVR)kernel function model.The datasets of Zr/PTFE/W RMs and Ti/PTFE/W RMs with W contents of 0%,25%,50%,and 75%were used as test sets,respectively.The model predictions showed a high degree of agreement with the experimental data,with mean absolute errors(MAE)of 4.8,6.5,4.6,and 4.1,respectively.
文摘This study focused on the production of polypropylene(PP)/silver(Ag)composites via additive manufacturing.This study aimed to enhance the quality of medical-grade PP in material extrusion(MEX)three-dimensional printing(3DP)by improving its mechanical properties while simultaneously adding antibacterial properties.The latter can find extremely important and versatile properties that are applicable in defense and security domains.PP/Ag nanocomposites were prepared using a novel method based on a reaction occurring while mixing appropriate quantities of the starting polymers and additives,namely polyvinylpyrrolidone(PVP)as the matrix material and silver nitrate(AgNO_(3))as the filler.This process produced three-dimensional(3D)printed filaments,which were then used to create specimens for a series of standardized tests.It was found that the mechanical properties of the nanocomposites were enhanced in relation to pristine PP,especially for the PP matrix with various loadings of AgNO_(3)and PVP,such as 5.0 wt%and 2.5 wt%,respectively.The voids,inclusions,and actual-to-nominal dimensions also showed improved results.The 3DP specimens exhibited a more effective biocidal performance against Staphylococcus aureus than Escherichia coli,which developed an inhibition zone only in the case of PP with filler loading percentages of AgNO_(3)and PVP at 10.0 wt%and 5.0 wt%,respectively Compounds possessing such properties can be beneficial for various applications requiring increased mechanical properties and biocidal capabilities,such as in the Defence or medical industries.
基金the National Natural Science Foundation of China(No.12172052 and No.12132003).
文摘Formation behaviors of rod-like reactive shaped charge penetrator(RRSCP)and their effects on damage capability are investigated by experiments and numerical simulations.The pulsed X-ray technology and a spaced aluminum/steel plate with the thicknesses of 5 mm/100 mm are used.Three types of sphericalsegment aluminum-polytetrafluoroethylene-copper(Al-PTFE-Cu)reactive liners with Cu contents of 0%,46.6%,and 66%are fabricated and tested.The experimental results show that the reactive liners can form excellent rod-shaped penetrators with tail skirts under the shaped charge effect,but the tail skirts disappear over time.Moreover,rupturing damage to the aluminum plate and penetration to the steel plate are caused by the RRSCP impact.From simulation analysis,the RRSCP is formed by a mechanically and chemically coupled response with the reactive liner activated by shock in its outer walls and bottom and then backward overturning,forming a leading reactive penetrator and a following chemical energy cluster.The unique formation structure determines the damage modes of the aluminum plate and the steel plate.Further analysis indicates that the formation behaviors and damage capability of Al-PTFE-Cu RRSCP strongly depend on Cu content.With increasing Cu content,the velocity,activation extent,and reaction extent of Al-PTFE-Cu RRSCP decrease,which contribute to elongation and alleviate the negative effects of chemical reactions on elongation,significantly increasing the length-diameter ratio and thus enhancing the capability of steel plate penetration.However,the lower activation extent and energetic density will weaken the RRSCP's capability of causing rupturing damage to the aluminum plate.
