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A benchmark-based method for evaluating hyperparameter optimization techniques of neural networks for surface water quality prediction

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Frontiers of Environmental science & Engineering 2024年第5期18卷 13-27页

作者： Xuan Wang Yan Dong Jing Yang Zhipeng Liu Jinsuo Lu School of Environmental and Municipal Engineering Xi’an University of Architecture and TechnologyXi’an710055China Shaanxi key laboratory of Environmental Engineering Xi’an University of Architecture and TechnologyXi’an710055China state key laboratory of Green Building in west china Xi’an University of Architecture and TechnologyXi’an710055China

Neural networks(NNs)have been used extensively in surface water prediction tasks due to computing algorithm improvements and data *** essential step in developing an NN is the hyperparameter *** practice,it is common to manually determine hyperparameters in the studies of NNs in water resources *** may result in considerable randomness and require significant computation time;therefore,hyperparameter optimization(HPO)is *** study adopted five representatives of the HPO techniques in the surface water quality prediction tasks,including the grid sampling(GS),random search(RS),genetic algorithm(GA),Bayesian optimization(BO)based on the Gaussian process(GP),and the tree Parzen estimator(TPE).For the evaluation of these techniques,this study proposed a method:first,the optimal hyperparameter value sets achieved by GS were regarded as the benchmark;then,the other HPO techniques were evaluated and compared with the benchmark in convergence,optimization orientation,and consistency of the optimized *** results indicated that the TPE-based BO algorithm was recommended because it yielded stable convergence,reasonable optimization orientation,and the highest consistency rates with the benchmark *** optimization consistency rates via TPE for the hyperparameters hidden layers,hidden dimension,learning rate,and batch size were 86.7%,73.3%,73.3%,and 80.0%,*** the evaluation of HPO techniques directly based on the prediction performance of the optimized NN in a single HPO test,the proposed benchmark-based HPO evaluation approach is feasible and robust.

关键词： Neural networks Hyperparameter optimization Surface water quality prediction Bayes optimization Genetic algorithm

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Thermal runaway evolution of a 280 Ah lithium-ion battery with LiFePO_(4) as the cathode for different heat transfer modes constructed by mechanical abuse

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Journal of Energy Chemistry 2024年第6期93卷 32-45,I0002页

作者： Zhixiang Cheng Chengdong Wang Wenxin Mei Peng Qin Junyuan Li Qingsong Wang state key laboratory of Fire science University of Science and Technology of ChinaHefei 230026AnhuiChina

Lithium iron phosphate batteries have been increasingly utilized in recent years because their higher safety performance can improve the increasing trend of recurring thermal runaway ***,the safety performance and mechanism of high-capacity lithium iron phosphate batteries under internal short-circuit challenges remain to be *** work analyzes the thermal runaway evolution of high-capacity LiFePO_(4) batteries under different internal heat transfer modes,which are controlled by different penetration *** penetration cases involving complete penetration and incomplete penetration were detected during the test,and two modes were performed incorporating nails that either remained or were removed after penetration to comprehensively reveal the thermal runaway mechanism.A theoretical model of microcircuits and internal heat conduction is also *** results indicated three thermal runaway evolution processes for high-capacity batteries,which corresponded to the experimental results of thermal equilibrium,single thermal runaway,and two thermal runaway *** difference in heat distribution in the three phenomena is determined based on the microstructure and material structure near the *** controlling the heat dissipation conditions,the time interval between two thermal runaway events can be delayed from 558 to 1417 s,accompanied by a decrease in the concentration of in-situ gas production during the second thermal runaway event.

关键词： Lithium-ion battery safety Micro short-circuit cell Heat transfer modes Internal short circuit Nail-penetration test

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Reactive molecular dynamics insight into the thermal decomposition mechanism of 2,6-Bis(picrylamino)-3,5-dinitropyridine

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Defence technology（防务技术） 2024年第3期33卷 134-146页

作者： Jianbo Fu Hui Ren Xinzhou Wu Yongjin Chen Mi Zhang Yazhi Cheng state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much *** this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)*** detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly *** the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration *** the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is *** final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the *** clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by *** low temperatures(2500 K-2750 K),many clusters are *** high temperatures(2750 K-3250 K),the clusters aggregate to form larger *** 3500 K,the large clusters decompose and become *** the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of ***'s initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/*** work contributes to a theoretical understanding of PYX's entire thermal decomposition process.

关键词： PYX Thermal decomposition ReaxFF-lg MD simulations Excellent thermostable explosives

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Propagation Properties of Shock Waves in Polyurethane Foam based on Atomistic Simulations

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Defence technology（防务技术） 2024年第1期31卷 117-129页

作者： Zhiqiang Hu Jianli Shao Shiyu Jia Weidong Song Cheng Wang state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

Porous materials are widely used in the field of protection because of their excellent energy absorption *** this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics ***,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental *** pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock *** microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete ***,it leads to stress relaxation and velocity *** shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of ***,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the *** energy is dissipated mainly through the multiple interactions of the waves under *** energy is dissipated mainly by the friction between atoms under non-shock.

关键词： Polyurethane foam Shock wave Attenuation Atomistic simulation

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Shock-induced chemical reaction characteristics of PTFE-Al-Bi_(2)O_(3)reactive materials

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Defence technology（防务技术） 2024年第6期36卷 1-12页

作者： Chunlan Jiang Rong Hu Jingbo Zhang Zaicheng Wang Liang Mao state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

A ternary system of PTFE/Al/Bi_(2)O_(3)is constructed by incorporating PTFE-based reactive material and thermite for enhancing the energy release of the PTFE-based reactive *** effects of Bi_(2)O_(3)in the PTFE/Al/Bi_(2)O_(3)on both mechanical properties and the energy release were investigated through various tests such as thermogravimetry-differential scanning calorimetry,adiabatic oxygen bomb test and split Hopkinson pressure bar *** microstructure observed through scanning electron microscope and Xray diffraction results are used to analyze the ignition and reaction mechanism of PTFE/Al/Bi_(2)O_(3).The results indicate that the PTFE/Al/Bi_(2)O_(3)are capable of triggering the exothermic reaction of molten PTFE/Bi_(2)O_(3)and Al/Bi_(2)O_(3)over the PTFE/Al reactive materials,thereby promoting *** excessive aluminum in the ternary system is beneficial for increasing energy *** ignition of shock-induced chemical reactions in PTFE/Al/Bi_(2)O_(3)is closely related to the material *** dominant mechanism for hot-spot generation under Split Hopkinson Pressure Bar test is the frictional temperature rise at the microcrack after failure.

关键词： PTFE/Al/Bi_(2)O_(3) Shock-induced chemical reaction Energy release

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Explosion damage effects of aviation kerosene storage tank under strong ignition

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Defence technology（防务技术） 2024年第7期37卷 27-38页

作者： Shixiang Song Cheng Wang Boyang Qiao Gongtian Gu state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

In order to study the blast damage effects of aviation kerosene storage tanks,the out-field explosion experiments of 8 m3fixed-roof tanks were carried *** fragments,shock wave and fireball thermal radiation of the tank in the presence of bottom oil,half oil and full oil,as well as empty tank,were investigated under internal explosion by various TNT charge contents(1.8 kg,3.5 kg and 6.2 kg).The results showed that the tank roof was the only fragment produced,and the damage forms could be divided into three *** increase of TNT charge content and oil volume enlarged the deformation of the tank,while the hole ratio presented a trend of increase first and then *** H_r,maxand V_(max)values positively increased as increasing the TNT charge content and oil volume(from empty to half oil),but decreased in full *** Pmaxvalues had a progressive increase with the increment of TNT charge content,but not the case with the increase in oil *** development of fireball was divided into three stages:tank roof‘towed'flame,jet flow flame tumbling and rising,and jet flow flame *** Dmaxand Hf,maxvalues both increased as increasing TNT charge content and oil *** oscillation phenomenon of fireball temperature was observed in the cooling *** average temperature of fireball surface was positively correlated with TNT charge content,and negatively correlated with oil volumes.

关键词： Aviation kerosene Storage tank Internal explosion Shock wave Fireball

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Enhanced structural damage behavior of liquid-filled tank by reactive material projectile impact

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Defence technology（防务技术） 2024年第1期31卷 211-229页

作者： Jianwen Xie Yuanfeng Zheng Zhenyang Liu Chengzhe Liu Aoxin Liu Pengwan Chen Haifu Wang state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

A series of ballistic experiments were performed to investigate the damage behavior of high velocity reactive material projectiles(RMPs) impacting liquid-filled tanks,and the corresponding hydrodynamic ram(HRAM) was studied in ***/Al/W RMPs with steel-like and aluminum-like densities were prepared by a pressing/sintering *** projectiles impacted a liquid-filled steel tank with front aluminum panel at approximately 1250 m/*** corresponding cavity evolution characteristics and HRAM pressure were recorded by high-speed camera and pressure acquisition system,and further compared to those of steel and aluminum *** different from the conical cavity formed by the inert metal projectile,the cavity formed by the RMP appeared as an ellipsoid with a conical *** RMPs were demonstrated to enhance the radial growth velocity of cavity,the global HRAM pressure amplitude and the front panel damage,indicating the enhanced HRAM and structural damage ***,combining the impact-induced fragmentation and deflagration characteristics,the cavity evolution of RMPs under the combined effect of kinetic energy impact and chemical energy release was *** mechanism of enhanced HRAM pressure induced by the RMPs was further revealed based on the theoretical model of the initial impact wave and the impulse ***,the linear correlation between the deformation-thickness ratio and the non-dimensional impulse for the front panel was obtained and *** was determined that the enhanced near-field impulse induced by the RMPs was the dominant reason for the enhanced structural damage behavior.

关键词： Reactive material projectile Hydrodynamic ram Enhanced structural damage Liquid-filled tank Impact

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Ballistic performance of additive manufacturing 316l stainless steel projectiles based on topology optimization method

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Defence technology（防务技术） 2024年第5期35卷 1-17页

作者： Hao Xue Tao Wang Xinyu Cui Yifan Wang Guangyan Huang state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

Material and structure made by additive manufacturing(AM)have received much attention lately due to their flexibility and ability to customize complex *** study first implements multiple objective topology optimization simulations based on a projectile perforation model,and a new topologic projectile is *** two types of 316L stainless steel projectiles(the solid and the topology)are printed in a selective laser melt(SLM)machine to evaluate the penetration performance of the projectiles by the ballistic *** experiment results show that the dimensionless specific kinetic energy value of topologic projectiles is higher than that of solid projectiles,indicating the better penetration ability of the topologic ***,microscopic studies(scanning electron microscope and X-ray micro-CT)are performed on the remaining projectiles to investigate the failure mechanism of the internal structure of the topologic *** explicit dynamics simulation was also performed,and the failure locations of the residual topologic projectiles were in good agreement with the experimental results,which can better guide the design of new projectiles combining AM and topology optimization in the future.

关键词： Additive manufacturing Topology optimization Ballistic performance Projectile design

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Assessing the energy release characteristics during the middle detonation reaction stage of aluminized explosives

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Defence technology（防务技术） 2024年第3期33卷 270-277页

作者： Kun Yang Lang Chen Danyang Liu Bin Zhang Jianying Lu Junying Wu state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

Afterburning behind the detonation front of an aluminized explosive releases energy on the millisecond timescale,which prolong the release of detonation energy and the energy release at different stages also shows significant ***,at present,there are few effective methods for evaluating the energy release characteristics of the middle reaction stage of such explosives,which can have a duration of tens to hundreds of *** present work demonstrates an approach to assessing the midstage of an aluminized explosive detonation based on a water push test employing a high degree of *** this method,the explosive is contained in a steel cylinder having one end closed that is installed at the bottom of a transparent water *** detonation,the gaseous products expand in one direction while forcing water ahead of *** resulting underwater shock wave and the interface between the gas phase products and the water are tracked using an ultra-high-speed framing and streak *** shock wave velocity in water and the expansion work performed by the gaseous detonation products were calculated to assess the energy release characteristics of aluminized explosives such as CL-20 and RDX in the middle stage of the detonation *** the middle stage of the detonation process of these aluminized explosives,the aluminum reaction reduced the attenuation of shock waves and increased the work performed by gas phase products.A higher aluminum content increased the energy output while the presence of oxidants slowed the energy release *** work demonstrates an effective means of evaluating the performance of aluminized explosives.

关键词： Aluminized explosive Non-ideal detonation Water push test Energy release

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Research on mass loss and nose shape evolution of kinetic energy projectiles penetrating concrete at high velocity

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Acta Mechanica Sinica 2024年第7期40卷 92-108页

作者： Zhiyan Yao Fenglei Huang Jinzhu Li state key laboratory of Explosion science and technology Beijing Institute of TechnologyBeijing 100081China

The high-speed penetration of concrete targets by kinetic energy projectiles results in apparent mass loss,which blunts the nose of the projectile and decrease its penetration *** friction work between the projectile and the concrete target,the plastic deformation of the projectile,and the cutting of aggregates to the projectile significantly affect the mass loss of the *** address these effects,a discrete iterative model is developed for the mass loss and nose shape evolution of the projectile by coupling three mechanisms based on the effect of temperature on *** the model,both friction work and plastic work increase the temperature of the projectile's surface layer,thereby weakening the strength of this part and rendering it easier for mass loss to occur due to aggregate *** model discretizes the projectile and penetration process with respect to the space and time dimensions,*** mass loss and nose shape evolution of the projectile are obtained by iteratively calculating a point-by-point *** predicted depth of penetration(DOP),mass loss,and residual projectile profile are compared with experimental data to validate the *** comparison shows satisfactory agreement between the calculated results and experimental ***,the deceleration,velocity,DOP,and mass loss during penetration are analyzed with respect to ***,based on the model,the effects of projectile strength,caliber-radius-head(CRH),and concrete target strength on penetration are discussed.

关键词： Kinetic energy projectile High-velocity penetration Coupled model Mass loss Nose shape evolution

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