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Molecular Dynamics Simulation of Shock Response of CL-20 Co-crystals Containing Void Defects
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作者 Changlin Li Wei Yang +5 位作者 Qiang Gan Yajun Wang Lin Liang Wenbo Zhang Shuangfei Zhu Changgen Feng 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期364-374,共11页
To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitro... To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals. 展开更多
关键词 CL-20 co-crystals Molecular dynamics simulation Reactive forcefield Impact response Hot spot void defect
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Void defect detection in BGA solder joints using mathematical morphology
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作者 张俊生 王明泉 +2 位作者 王玉 王军 郭晋秦 《Journal of Measurement Science and Instrumentation》 CAS CSCD 2017年第2期199-204,共6页
Voids are one of the major defects in ball grid array (BGA) solder joints due to a large amount of outgassing flux that gets entrapped during reflow. X-ray nondestructive machines are used to make voids visible ... Voids are one of the major defects in ball grid array (BGA) solder joints due to a large amount of outgassing flux that gets entrapped during reflow. X-ray nondestructive machines are used to make voids visible as lighter areas inside the solder joints in X-ray images for detection However, it has always been difficult to analyze this problem automatically because of some challenges such as noise, inconsistent lighting and void-like artifacts. This study realized accurate extraction and automatic a-nalysis of void defects in solder joints by adopting a technical proposal, in which Otsu algorithm was used to segment solder balls and void defects were extracted through opening and closing operations and top-hat transformation in mathematical mor-phology. Experimental results show that the technical proposal mentioned here has good robustness and can be applied in the detection of voids in BGA solder joints. 展开更多
关键词 ball grid array (BGA) void defect X-RAY OTSU mathematical morphology
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Finite element model simulation and back propagation neural network modeling of void closure for an extra-thick plate during gradient temperature rolling
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作者 Shun-hu Zhang Wen-hao Tian +4 位作者 Li-zhi Che Wei-jian Chen Yan Li Liang-wei Wan Zi-qi Yin 《Journal of Iron and Steel Research International》 SCIE EI CAS CSCD 2024年第9期2236-2247,共12页
The void closure behavior in a central extra-thick plate during the gradient temperature rolling was simulated and a back propagation(BP)neural network model was established.The thermal–mechanical finite element mode... The void closure behavior in a central extra-thick plate during the gradient temperature rolling was simulated and a back propagation(BP)neural network model was established.The thermal–mechanical finite element model of the gradient temperature rolling process was first developed and validated.The prediction error of the model for the rolling force is less than 2.51%,which has provided the feasibility of imbedding a defect in it.Based on the relevant data obtained from the simulation,the BP neural network was used to establish a prediction model for the compression degree of a void defect.After statistical analysis,80%of the data had a hit rate higher than 95%,and the hit rate of all data was higher than 90%,which indicates that the BP neural network can accurately predict the compression degree.Meanwhile,the comparisons between the results with the gradient temperature rolling and uniform temperature rolling,and between the results with the single-pass rolling and multi-pass rolling were discussed,which provides a theoretical reference for developing process parameters in actual production. 展开更多
关键词 BP neural network Finite element model Gradient temperature rolling void defect Extra-thick plate
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Defect engineering on constructing surface active sites in catalysts for environment and energy applications
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作者 Yawen Cai Baowei Hu Xiangke Wang 《Frontiers of Chemical Science and Engineering》 SCIE EI CSCD 2024年第7期11-32,共22页
The precise engineering of surface active sites is deemed as an efficient protocol for regulating surfaces and catalytic properties of catalysts.Defect engineering is the most feasible option to modulate the surface a... The precise engineering of surface active sites is deemed as an efficient protocol for regulating surfaces and catalytic properties of catalysts.Defect engineering is the most feasible option to modulate the surface active sites of catalysts.Creating specific active sites on the catalyst allows precise modulation of its electronic structure and physicochemical characteristics.Here,we outlined the engineering of several types of defects,including vacancy defects,void defects,dopant-related defects,and defect-based single atomic sites.An overview of progress in fabricating structural defects on catalysts via de novo synthesis or post-synthetic modification was provided.Then,the applications of the well-designed defective catalysts in energy conversion and environmental remediation were carefully elucidated.Finally,current challenges in the precise construction of active defect sites on the catalyst and future perspectives for the development directions of precisely controlled synthesis of defective catalysts were also proposed. 展开更多
关键词 defect engineering VACANCY void defects DOPING single atomic sites
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Research on Voids Deformation Welding Condition for Manufacturing of Heavy Forgings 被引量:1
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作者 黄华贵 许石民 +1 位作者 王巍 杜凤山 《Journal of Shanghai Jiaotong university(Science)》 EI 2011年第2期203-208,共6页
Crushing and diffusion welding are two critical healing stages of interior void defects in heavy forgings.The healing result depends on many factors during the forging process,such as stress,temperature,deformation an... Crushing and diffusion welding are two critical healing stages of interior void defects in heavy forgings.The healing result depends on many factors during the forging process,such as stress,temperature,deformation and type of material,while the void diffusion welding condition is still not well known at the present.This paper is concerned with the deformation welding condition of the closed void interface in heavy ingot during the hot forging process.A void crushing experiment is carried out to recognize the microstructure of the closed void interface.According to the healing mechanism at high temperature,a new physical simulation model is setup to study the deformation welding process of the closed void interface based on the theory of atom diffusion and the interface contact mechanics prototype.Compared with the experimental results,the influence of deformation degree,forming temperature and holding time on the welding quality is discussed,and then the deformation welding condition of closed void interface is presented.The proposed condition helps to improve forging technology and product quality. 展开更多
关键词 large forgings interior void defects physical simulation deformation welding condition
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