Synthesis,Crystal Structure, Thermal Decomposition and Sensitivity Properties of (AIM)(HTNR) and (AIM)(PA)

Two new energetic compounds （AIM）（HTNR） and （AIM）（PA）（AIM=2-azidoimidazole, TNR=2,4,6-trini troresorcinol, PA=picric acid） have been prepared by AIM（2-azidoimidazolium） and TNR（2,4,6-trinitroresorcinol） or PA（picric acid） and characterized by elemental analysis and FTIR spectrum. Their crystal structures were determined by X-ray single-crystal diffraction analysis. The obtained results show that （AIM）（HTNR） crystal belongs to monoc linic, P21/c space group, a=1.1306（2） nm, b=0.70305（14） nm, c=1.7398（4） nm, β=106.91°, V=1.3231（5） nm3, Dc=1.778 g/cm3, Z=4, R1=0.0524, wR2[I 〉2σ（I）]=0.1067 and S=1.092 and （AIM）（PA） crystal belongs to monoclinic P21/c space group, a=0.80303（16） nm, b=0.81395（16） nm, c=2.0471（4） nm, β=93.93（3）°, V=1.3349（5） nm3, Dc=1.683 g/cm3, Z=4, R1=0.0784, wR2[I〉2σ（I）]=0.1814 and S=1.098. Both the compounds have electrostatic attraction and hy drogen bonds, which contribute to making the constructions more stable. The decomposition of the two compounds was studied via differential scanning calorimetry（DSC） and thermogravimetry-derivative thermogravimetry（TG-DTG） techniques at a heating rate of 10 oC/min, and the results show that both the compounds underwent one intensive exothermic decomposition stage. Sensitivity tests reveal that the title compounds were insensitive to friction and im pact and sensitive to flame and could be applied in potential pyrotechnics.

Grain structure effect on quench sensitivity of Al-Zn-Mg-Cu-Cr alloy

The effect of grain structure on quench sensitivity of an Al-Zn-Mg-Cu-Cr alloy was investigated by hardness testing, optical microscopy, X-ray diffraction, scanning electron microscopy, transmission electron microscopy and scanning transmission electron microscopy. The results show that with the decrease of quenching rate from 960 ℃/s to 2 ℃/s, the hardness after aging is decreased by about 33% for the homogenized and solution heat treated alloy（H-alloy） with large equiaxed grains and about 43% for the extruded and solution heat treated alloy（E-alloy） with elongated grains and subgrains. Cr-containing dispersoids make contribution to about 33% decrement in hardness of the H-alloy due to slow quenching; while in the E-alloy, the amount of（sub） grain boundaries is increased by about one order of magnitude, which leads to a further 10% decrement in hardness due to slow quenching and therefore higher quench sensitivity.

A review on the multi-scaled structures and mechanical/thermal properties of tool steels fabricated by laser powder bed fusion additive manufacturing

The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF makes it possible to design and produce complex conformal cooling channel systems in molds.Thus,LPBF-processed tool steels have attracted more and more attention.The complex thermal history in the LPBF process makes the microstructural characteristics and properties different from those of conventional manufactured tool steels.This paper provides an overview of LPBF-processed tool steels by describing the physical phenomena,the microstructural characteristics,and the mechanical/thermal properties,including tensile properties,wear resistance,and thermal properties.The microstructural characteristics are presented through a multiscale perspective,ranging from densification,meso-structure,microstructure,substructure in grains,to nanoprecipitates.Finally,a summary of tool steels and their challenges and outlooks are introduced.

Advances in Liquid Crystal Epoxy:Molecular Structures,Thermal Conductivity,and Promising Applications in Thermal Management

Traditional heat conductive epoxy composites often fall short in meeting the escalating heat dissipation demands of large-power,high-frequency,and highvoltage insulating packaging applications,due to the challenge of achieving high thermal conductivity(k),desirable dielectric performance,and robust thermomechanical properties simultaneously.Liquid crystal epoxy(LCE)emerges as a unique epoxy,exhibiting inherently high k achieved through the self-assembly of mesogenic units into ordered structures.This characteristic enables liquid crystal epoxy to retain all the beneficial physical properties of pristine epoxy,while demonstrating a prominently enhanced k.As such,liquid crystal epoxy materials represent a promising solution for thermal management,with potential to tackle the critical issues and technical bottlenecks impeding the increasing miniaturization of microelectronic devices and electrical equipment.This article provides a comprehensive review on recent advances in liquid crystal epoxy,emphasizing the correlation between liquid crystal epoxy’s microscopic arrangement,organized mesoscopic domain,k,and relevant physical properties.The impacts of LC units and curing agents on the development of ordered structure are discussed,alongside the consequent effects on the k,dielectric,thermal,and other properties.External processing factors such as temperature and pressure and their influence on the formation and organization of structured domains are also evaluated.Finally,potential applications that could benefit from the emergence of liquid crystal epoxy are reviewed.

Construction of core@double-shell structured energetic composites with simultaneously enhanced thermal stability and safety performance

The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricated to address the above issues.The coordination complexes which consist of natural polyphenol tannic acid(TA) and Fe~Ⅲ were chosen to construct the inner shell,while the graphene sheets were used to build the outer shell.The resulting CL-20/TA-Fe~Ⅲ/graphene composites exhibited simultaneously improved thermal stability and safety performance with only 1 wt% double-shell content,which should be ascribed to the intense physical encapsulation effect from inner shell combined with the desensitization effect of carbon nano-materials from outer shell.The phase transition(ε to γ) temperature increased from 173.70 ℃ of pure CL-20 to 191.87℃ of CL-20/TA-Fe~Ⅲ/graphene composites.Meanwhile,the characteristic drop height(H_(50)) dramatically increased from 14.7 cm of pure CL-20 to112.8 cm of CL-20/TA-Fe~Ⅲ/graphene composites,indicating much superior safety performance after the construction of the double-shell structure.In general,this work has provided an effective and versatile strategy to conquer the thermal stability and safety issues of CL-20 and contributes to the future application of high energy density energetic materials.

Assessment of electrostatic discharge sensitivity of nitrogen-rich heterocyclic energetic compounds and their salts as high energy-density dangerous compounds:A study of structural variables

Nitrogen-rich heterocyclic energetic compounds(NRHECs)and their salts have witnessed widespread synthesis in recent years.The substantial energy-density content within these compounds can lead to potentially dangerous explosive reactions when subjected to external stimuli such as electrical discharge.Therefore,developing a reliable model for predicting their electrostatic discharge sensitivity(ESD)becomes imperative.This study proposes a novel and straightforward model based on the presence of specific groups(-NH_(2) or-NH-,-N=N^(+)-O^(-)and-NNO_(2),-ONO_(2) or-NO_(2))under certain conditions to assess the ESD of NRHECs and their salts,employing interpretable structural parameters.Utilizing a comprehensive dataset comprising 54 ESD measurements of NRHECs and their salts,divided into 49/5 training/test sets,the model achieves promising results.The Root Mean Square Error(RMSE),Mean Absolute Error(MAE),and Maximum Error for the training set are reported as 0.16 J,0.12 J,and 0.5 J,respectively.Notably,the ratios RMSE(training)/RMSE(test),MAE(training)/MAE(test),and Max Error(training)/Max Error(test)are all greater than 1.0,indicating the robust predictive capabilities of the model.The presented model demonstrates its efficacy in providing a reliable assessment of ESD for the targeted NRHECs and their salts,without the need for intricate computer codes or expert involvement.

Finite Element Model Updating of Bridge Structures Based on Sensitivity Analysis and Optimization Algorithm

The dynamic characteristics of bridge structures, such as the natural frequencies, mode shapes and model damping ratio, are the basis of structural dynamic computation, seismic analysis, vibration control and structural health condition monitoring. In this paper, a three-dimensional finite-element model is established for a highway bridge over a railway on No.312 National Highway and the ambient test is carried out in site, the dynamic characteristics of the bridge are studied using the finite-element analysis and ambient vibration measurements. Comparison between the theoretical and experimental results shows that the frequency differences of the modes range between 0.44% and 8.77%. If the measurement is more reliable, the finite element model updating is necessary. Thus, a set of design variables is selected based on sensitivity analysis, then the finite element model of the bridge is updated based on optimization algorithm. The results of model updating show that the proposed updating method in this paper is more simple and effective, the updated finite element model can reflect the dynamic characteristics of the bridge better, the analytical results can provide the theoretical basis for damage identification and health condition monitoring of the bridge.

THE SATELLITE STRUCTURE TOPOLOGY OPTIMIZATION BASED ON HOMOGENIZATION METHOD AND ITS SIZE SENSITIVITY ANALYSIS

With the development of satellite structure technology, more and more design parameters will affect its structural performance. It is desirable to obtain an optimal structure design with a minimum weight, including optimal configuration and sizes. The present paper aims to describe an optimization analysis for a satellite structure, including topology optimization and size optimization. Based on the homogenization method, the topology optimization is carried out for the main supporting frame of service module under given constraints and load conditions, and then the sensitivity analysis is made of 15 structural size parameters of the whole satellite and the optimal sizes are obtained. The numerical result shows that the present optimization design method is very effective.

Synthesis,Crystal Structure,Thermal Decomposition and Sensitive Properties of a New Complex [Cu(IMI)_4](PA)_2

A new coordination complex [Cu（IMI）4]（PA）2 had been synthesized with imidazole（IMI） as ligands and picrate（PA-） groups as outer anions,and characterized by Fourier transform infrared（FTIR） spectrum and elemental analysis.Its crystal structure was determined by single crystal X-ray diffraction（XRD） analysis.The crystallographic data show that the crystal belongs to monoclinic,C2/c space group,a=2.542（5） nm,b=0.91773（18） nm,c=1.3778（3） nm,β=107.854（3）° and Z=4.Furthermore,the central copper（II） ion is coordinated by four N atoms from four imidazole ligands.All the molecular units are linked into a zigzag pattern along a-axis by the hydrogen bonds,and extended to the distance regularly.Thermal decomposition mechanisms were determined based on differential scanning calorimetry（DSC） and thermogravimetry-differential thermogravimetry（TG-DTG） analysis,and kinetic parameters of the first exothermic process were studied using Kissinger＇s and Ozawa-Doyle＇s method,respectively.Sensitivity tests show that the title complex has low sensitivity to external stimulus,but it has a higher energy of combustion of 14.2 kJ/g due to which it may be used as the additives of energetic materials to improve the explosive performance.

Structure optimization of connection frames based on frequency sensitivity in macro-micro motion platforms

High-performance connection frames are of great significance for ultra-high acceleration and ultra-precision positioning in macro-micro motion platforms. This paper first takes the connection frame as a research object,builds a finite element model(FEM) of the natural frequency of the frame, and then verifies the correctness of this model. The frequency sensitivity method is then used to perturb the structural parameters of the FEM of the connection frame, and the sensitivities of the first-order natural frequency and mass of the corresponding structural parameters are obtained by calculation and analysis. The design variables are also determined. The natural frequency is used as the optimization objective, and the design parameters and mass of the connection frame are constrained. The structural parameters of the connecting frame are obtained through optimization, and the model is built and verified by experiments. The results show that the first-order natural frequency of the connecting frame is effectively improved by the frequency sensitivity method, avoids resonance between the connecting frame and the voice coil motor, and realizes the lightweight design of the connection frame. This research provides a reliable basis for the stable operation and ultra-precision positioning of ultra-high acceleration macro-motion platforms.

Identification of the sensitive area for targeted observation to improve vertical thermal structure prediction in summer in the Yellow Sea

The sensitive area of targeted observations for short-term(7 d)prediction of vertical thermal structure(VTS)in summer in the Yellow Sea was investigated.We applied the Conditional Nonlinear Optimal Perturbation(CNOP)method and an adjoint-free algorithm with the Regional Ocean Modeling System(ROMS).We used vertical integration of CNOP-type temperature errors to locate the sensitive areas,where reduction of initial errors is expected to yield the greatest improvement in VTS prediction for the selected verification area.The identified sensitive areas were northeast−southwest orientated northeast to the verification area,which were possibly related to the southwestward background currents.Then,we performed a series of sensitivity experiments to evaluate the effectiveness of the identified sensitive areas.Results show that initial errors in the identified sensitive areas had the greatest negative effect on VTS prediction in the verification area compared to errors in other areas(e.g.,the verification area and areas to its east and northeast).Moreover,removal of initial errors through deploying simulated observations in the identified sensitive areas led to more refined prediction than correction of initial conditions in the verification area itself.Our results suggest that implementation of targeted observation in the CNOP-based sensitive areas is an effective method to improve short-term prediction of VTS in summer in the Yellow Sea.

Investigation on thermal characteristics and desensitization mechanism of improved step ladder-structured nitrocellulose

Nitrocellulose,or cellulose nitrate,has received considerable interest due to its various applications,such as propellants,coating agents and gas generators.However,its high mechanical sensitivity caused many accidents during its storage and usage in ammunition.In this work,two kinds of insensitive step ladderstructured nitrocellulose(LNC)with different nitrogen contents were synthesized.The products were characterized by FT-IR,Raman,XRD,SEM,elemental analysis,TGA,DSC,accelerating rate calorimeter analysis(ARC),and drop weight test to study their molecular structure,thermal characteristics and desensitization performance.Compared with raw nitrocellulose,LNC has a sharper exothermic peak in the DSC and ARC curves.The H50values of the two kinds of LNC increased from 25.76 to 30.01 cm for low nitrogen content and from 18.02 to 21.84 cm for high nitrogen content,respectively.The results show that the ladder-structure of LNC which provides regular molecular arrangement and a soft buffer made with polyethylene glycol could affect the energy releasing process of LNC and reduce the sensitivity of LNC.Insensitive LNC provides an alternative to be used as a binder in insensitive propellants formulation.

Finite element response sensitivity analysis of three-dimensional soil-foundation-structure interaction (SFSI) systems

The nonlinear finite element（FE） analysis has been widely used in the design and analysis of structural or geotechnical systems.The response sensitivities（or gradients） to the model parameters are of significant importance in these realistic engineering problems.However the sensitivity calculation has lagged behind,leaving a gap between advanced FE response analysis and other research hotspots using the response gradient.The response sensitivity analysis is crucial for any gradient-based algorithms,such as reliability analysis,system identification and structural optimization.Among various sensitivity analysis methods,the direct differential method（DDM） has advantages of computing efficiency and accuracy,providing an ideal tool for the response gradient calculation.This paper extended the DDM framework to realistic complicated soil-foundation-structure interaction（SFSI） models by developing the response gradients for various constraints,element and materials involved.The enhanced framework is applied to three-dimensional SFSI system prototypes for a pilesupported bridge pier and a pile-supported reinforced concrete building frame structure,subjected to earthquake loading conditions.The DDM results are verified by forward finite difference method（FFD）.The relative importance（RI） of the various material parameters on the responses of SFSI system are investigated based on the DDM response sensitivity results.The FFD converges asymptotically toward the DDM results,demonstrating the advantages of DDM（e.g.,accurate,efficient,insensitive to numerical noise）.Furthermore,the RI and effects of the model parameters of structure,foundation and soil materials on the responses of SFSI systems are investigated by taking advantage of the sensitivity analysis results.The extension of DDM to SFSI systems greatly broaden the application areas of the d gradient-based algorithms,e.g.FE model updating and nonlinear system identification of complicated SFSI systems.

Selective hydrogenation of 1,3-butadiene on iridium nanostructures:Structure sensitivity, host effect, and deactivation mechanism

A systematic study on the structure sensitivity,host effect,and the deactivation mechanism of Ircatalyzed selective hydrogenation of 1,3-butadiene,a key process in the purification of alkadiene for the upgrading of C4 cut,is presented by coupling steady-state catalytic testing,in-depth characterization,kinetic evaluation,and density functional theory calculations.We reveal that:(i) 1,3-Butadiene hydrogenation on iridium is structure-sensitive with the optimal particle size of about 2 nm,and the H_(2) dissociation energy is a reliable activity descriptor;(ii) The nature of the NC hosts exerts a critical impact on the catalytic performance,and balanced nitrogen content and speciation seem key for the optimized performance;and (iii) Different deactivation mechanisms occur:fouling by coke deposition on the catalysts with a high N:C ratio (>1),and site blockage due to the competitive adsorption between 1-butene/cis-2-butene and 1,3-butadiene.These molecular insights provide valuable guidelines for the catalyst design in selective hydrogenations.

Sensitivity Study on Durability Variables of Marine Concrete Structures

In order to study the influence of parameters on durability of marine concrete structures, the parameter＇s sensitivity analysis was studied in this paper. With the Fick＇s 2nd law of diffusion and the deterministic sensitivity analysis method （DSA）, the sensitivity factors of apparent surface chloride content, apparent chloride diffusion coefficient and its time dependent attenuation factor were analyzed. The results of the analysis show that the impact of design variables on concrete durability was different. The values of sensitivity factor of chloride diffusion coefficient and its time dependent attenuation factor were higher than others. Relative less error in chloride diffusion coefficient and its time dependent attenuation coefficient induces a bigger error in concrete durability design and life prediction. According to probability sensitivity analysis （PSA）, the influence of mean value and variance of concrete durability design variables on the durability failure probability was studied. The results of the study provide quantitative measures of the importance of concrete durability design and life prediction variables. It was concluded that the chloride diffusion coefficient and its time dependent attenuation factor have more influence on the reliability of marine concrete structural durability. In durability design and life prediction of marine concrete structures, it was very important to reduce the measure and statistic error of durability design variables.

In/Pd-Doped SnO2-Based CO Micro-Structure Sensor with High Sensitivity and Quick Response

In/Pd-doped SnO2 is synthesized via a sol-gel method and coated on a silicon substrate with Pt electrodes to fabricate a micro-structure sensor. The sensor can be used to detect CO down to l ppm （the sensitivity is about 3）, and the response time and recovery time are about 5 and 15 s, respectively. Excellent selectivity is also found based on our sensor. These results demonstrate a promising approach to fabricate high-performance CO sensors with high sensitivity and quick response.

Second-order sensitivity of eigenpairs in multiple parameter structures

This paper presents methods for computing a second-order sensitivity matrix and the Hessian matrix of eigenvalues and eigenvectors of multiple parameter structures. Second-order perturbations of eigenvalues and eigenvectors are transformed into multiple parameter forms,and the second-order perturbation sensitivity matrices of eigenvalues and eigenvectors are developed.With these formulations,the efficient methods based on the second-order Taylor expansion and second-order perturbation are obtained to estimate changes of eigenvalues and eigenvectors when the design parameters are changed. The presented method avoids direct differential operation,and thus reduces difficulty for computing the second-order sensitivity matrices of eigenpairs.A numerical example is given to demonstrate application and accuracy of the proposed method.

Atomistic simulation of thermal effects and defect structures during nanomachining of copper

Molecular dynamics （MD） simulations of monocrystalline copper （100） surface during nanomachining process were performed based on a new 3D simulation model. The material removal mechanism and system temperature distribution were discussed. The simulation results indicate that the system temperature distribution presents a roughly concentric shape, a steep temperature gradient is observed in diamond cutting tool, and the highest temperature is located in chip. Centrosymmetry parameter method was used to monitor defect structures. Dislocations and vacancies are the two principal types of defect structures. Residual defect structures impose a major change on the workpiece physical properties and machined surface quality. The defect structures in workpiece are temperature dependent. As the temperature increases, the dislocations are mainly mediated from the workpiece surface, while the others are dissociated into point defects. The relatively high cutting speed used in nanomachining results in less defect structures, beneficial to obtain highly machined surface quality.

Influence of the embedded structure on the EFP formation of compact terminal sensitive projectile

To improve the damage efficiency of compact terminal sensitive projectile with EFP warhead,it is vital to understand how the embedded structure(ES)affects the EFP forming performance.In this paper,the corresponding numerical investigation is focused on,in which the fluid-structure interaction(FSI)method and the experimental verification are used.Based on the obtained quantitative relations between the forming performance and a(the ratio of height to maximum radius of ES),an optimal design is further provided.The results indicate that:when the embedded structural length and width range 0.1e0.3D and 0.1e0.2D(D:diameter of EFP warhead)at a fixed volume,respectively,EFP forming velocity nearly keeps as a constant,1760 m/s;the height of ES has a dramatical effect on the propagating range of detonation wave,resulting in significant influence on the aerodynamic shape and length-to-diameter ratio of EFP;under the given constraints,the EFP length-diameter ratio can reach the optimal value2.76,when the height of ES is 0.22D.

Two Novel Nitrogen-rich Energetic Coordination Compounds M_2(DAT)_5(H_2O)_3(TNR)_2(M = Zn and Co):Synthesis,Characterization,Thermal Properties and Sensitivity

Two novel energetic coordination compounds Zn2（DAT）5（H2O）3（TNR）2 and Co2（DAT）5（H2O）3（TNR）2 were synthesized and their structures were characterized by elemental analysis and FT-IR spectroscopy.The crystal structures were determined by single-crystal X-ray diffraction.The results reveal that the compounds have similar molecular structures and the crystals belong to the triclinic system,space group P with a = 11.491（3）,b = 13.564（3）,c = 15.496（3） ,V = 2180.4（8） 3,C17H28 Zn2N36O19,Mr = 1203.02 g·mol-1,Dc = 1.832 g·cm-3,μ（MoKα） = 1.221 mm-1,F（000） = 1223,Z = 2,R = 0.0596 and wR = 0.1514 for 11289 observed reflections（I 〉 2σ（I）） for Zn2（DAT）5（H2O）3（TNR）2 and a = 11.5291（13）,b = 13.4894（15）,c = 15.4852（17） ,V = 2164.8（4） 3,C17H28Co2N36O19,Mr = 1190.14 g·mol-1,Dc = 1.826 g·cm-3,μ（MoKα） = 0.888 mm-1,F（000） = 1211,Z = 2,R = 0.0576 and wR = 0.1431 for 11218 observed reflections（I 〉 2σ（I）） for Co2（DAT）5（H2O）3（TNR）2,respectively.The thermal decomposition characteristics of the com-pounds were investigated using differential scanning calorimetry and thermal gravimetry-diffediffer-rential thermal gravimetry.The results of thermal decomposition processes were similar for the two compounds.Both undergo four-step decomposition after the loss of coordinated H2O molecules.The final solid residues for the two DAT complexes were the corresponding metal oxides.The kinetic parameter of the first exothermic process of the compounds was studied by applying the Kissinger and Ozawa-Doyle methods.The thermodynamic parameters of the activation could be calculated.Sensitivity tests revealed that Co2（DAT）5（H2O）3（TNR）2 was more sensitive than Zn2（DAT）5（H2O）3（TNR）2.