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Numerical Simulation of the Mechanical Stirring Process in a Tannin-Based Foaming Precursor Resin
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作者 Lan Huang Wenbin Yuan +2 位作者 Hisham Essawy Xiaojian Zhou Xinyi Chen 《Fluid Dynamics & Materials Processing》 EI 2024年第10期2219-2234,共16页
Tannin foam is a new functional material.It can be widely applied to the automobile industry,construction industry,and packaging industry due to its wide range of raw materials,renewable,easily degraded,low cost and a... Tannin foam is a new functional material.It can be widely applied to the automobile industry,construction industry,and packaging industry due to its wide range of raw materials,renewable,easily degraded,low cost and almost no pollution.Preparing tannin foam is a very complex process that includes high temperature,two phases,mechanical agitation,and phase change.To investigate the influence of the stirring velocity and paddle shape,simulation was calculated by making use of the volume of fluid(VOF)method and multiple reference frame(MRF)method in a three-dimensional flow field of tannin-based foaming precursor resin.The gas holdup and velocity magnitude were analysed with various conditions of mechanical velocities and paddle shape in the stirring flow field.The result shows the higher the velocity,the greater the disturbance and paddle shape between the eggbeater and the Rushton turbine,obviously the paddle shape of the eggbeater with a wider range of agitation,which can entrap more air into the tannin-based foaming precursor resin in a short time.Especially when the speed is 1500 rpm,the flow field of the Rushton turbine comes out of a ditch,which decreases the efficiency of mass transfer;there is less air to mix into the tannin-based foaming precursor resin,which causes unevenness.At the same time,the eggbeater shows the marvelous capability of hybrid as it has two vortexes and multiple cycles that make a difference from the Rushton turbine,which has only one vortex and two upper and lower loops;the structure makes the flow field more stable allowed evenness of flow field tannin-based foaming precursor resin.The results reveal that it is beneficial for tannin-based foaming precursor resin to use an eggbeater with a speed of 1500 rpm to reduce the consumption of resources while obtaining a uniform flow field. 展开更多
关键词 Tannin-based foaming precursor resin mechanical agitation numerical simulation volume of fluid(VOF) multiple reference frame(MRF)
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Refinement of Adaptive Dynamical Simulation of Quantum Mechanical Double Slit Interference Phenomenon
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作者 Tadashi Ando Andrei Khrennikov Ichiro Yamato 《Journal of Modern Physics》 2024年第3期239-249,共11页
We applied adaptive dynamics to double slit interference phenomenon using particle model and obtained partial successful results in our previous report. The patterns qualitatively corresponded well with experiments. S... We applied adaptive dynamics to double slit interference phenomenon using particle model and obtained partial successful results in our previous report. The patterns qualitatively corresponded well with experiments. Several properties such as concave single slit pattern and large influence of slight displacement of the emission position were different from the experimental results. In this study we tried other slit conditions and obtained consistent patterns with experiments. We do not claim that the adaptive dynamics is the principle of quantum mechanics, but the present results support the probability of adaptive dynamics as the candidate of the basis of quantum mechanics. We discuss the advantages of the adaptive dynamical view for foundations of quantum mechanics. 展开更多
关键词 Double Slit Interference Adaptive Dynamics Quantum mechanics Particle Model simulation
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Mechanical Properties and Thermal Shock Resistance of SrAl_(2)Si_(2)O_(8) Reinforced BN Ceramic Composites
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作者 WANG Bo CAI Delong +7 位作者 ZHU Qishuai LI Daxin YANG Zhihua DUAN Xiaoming LI Yanan WANG Xuan JIA Dechang ZHOU Yu 《无机材料学报》 SCIE EI CAS CSCD 北大核心 2024年第10期1182-1188,共7页
Hexagonal boron nitride(h-BN)ceramics have become exceptional materials for heat-resistant components in hypersonic vehicles,owing to their superior thermal stability and excellent dielectric properties.However,their ... Hexagonal boron nitride(h-BN)ceramics have become exceptional materials for heat-resistant components in hypersonic vehicles,owing to their superior thermal stability and excellent dielectric properties.However,their densification during sintering still poses challenges for researchers,and their mechanical properties are rather unsatisfactory.In this study,SrAl_(2)Si_(2)O_(8)(SAS),with low melting point and high strength,was introduced into the h-BN ceramics to facilitate the sintering and reinforce the strength and toughness.Then,BN-SAS ceramic composites were fabricated via hot press sintering using h-BN,SrCO_(3),Al_(2)O_(3),and SiO_(2) as raw materials,and effects of sintering pressure on their microstructure,mechanical property,and thermal property were investigated.The thermal shock resistance of BN-SAS ceramic composites was evaluated.Results show that phases of as-preparedBN-SAS ceramic composites are h-BN and h-SrAl_(2)Si_(2)O_(8).With the increase of sintering pressure,the composites’densities increase,and the mechanical properties shew a rising trend followed by a slight decline.At a sintering pressure of 20 MPa,their bending strength and fracture toughness are(138±4)MPa and(1.84±0.05)MPa·m^(1/2),respectively.Composites sintered at 10 MPa exhibit a low coefficient of thermal expansion,with an average of 2.96×10^(-6) K^(-1) in the temperature range from 200 to 1200℃.The BN-SAS ceramic composites prepared at 20 MPa display higher thermal conductivity from 12.42 to 28.42 W·m^(-1)·K^(-1) within the temperature range from room temperature to 1000℃.Notably,BN-SAS composites exhibit remarkable thermal shock resistance,with residual bending strength peaking and subsequently declining sharply under a thermal shock temperature difference ranging from 600 to 1400℃.The maximum residual bending strength is recorded at a temperature difference of 800℃,with a residual strength retention rate of 101%.As the thermal shock temperature difference increase,the degree of oxidation on the ceramic surface and cracks due to thermal stress are also increased gradually. 展开更多
关键词 BN MATRIX composite hot-press SINTERING mechanical PROPERTY thermal shock resistance service reliability
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A creep model for ultra-deep salt rock considering thermal-mechanical damage under triaxial stress conditions
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作者 Chao Liang Jianfeng Liu +3 位作者 Jianxiong Yang Huining Xu Zhaowei Chen Lina Ran 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第2期588-596,共9页
To investigate the specific creep behavior of ultra-deep buried salt during oil and gas exploitation,a set of triaxial creep experiments was conducted at elevated temperatures with constant axial pressure and unloadin... To investigate the specific creep behavior of ultra-deep buried salt during oil and gas exploitation,a set of triaxial creep experiments was conducted at elevated temperatures with constant axial pressure and unloading confining pressure conditions.Experimental results show that the salt sample deforms more significantly with the increase of applied temperature and deviatoric loading.The accelerated creep phase is not occurring until the applied temperature reaches 130℃,and higher temperature is beneficial to the occurrence of accelerated creep.To describe the specific creep behavior,a novel three-dimensional(3D)creep constitutive model is developed that incorporates the thermal and mechanical variables into mechanical elements.Subsequently,the standard particle swarm optimization(SPSO)method is adopted to fit the experimental data,and the sensibility of key model parameters is analyzed to further illustrate the model function.As a result,the model can accurately predict the creep behavior of salt under the coupled thermo-mechanical effect in deep-buried condition.Based on the research results,the creep mechanical behavior of wellbore shrinkage is predicted in deep drilling projects crossing salt layer,which has practical implications for deep rock mechanics problems. 展开更多
关键词 Creep experiments Creep model thermal and mechanical damage Fractional derivative
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A review on the multi-scaled structures and mechanical/thermal properties of tool steels fabricated by laser powder bed fusion additive manufacturing
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作者 Huajing Zong Nan Kang +1 位作者 Zehao Qin Mohamed El Mansori 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第5期1048-1071,共24页
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 mak... 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. 展开更多
关键词 additive manufacturing laser powder bed fusion tool steel multi-scaled structure mechanical properties thermal properties
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Effects of Diamond on the Mechanical Properties and Thermal Conductivity of Si_(3)N_(4)Composites Fabricated Using Spark Plasma Sintering
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作者 GAO Ying LIU Di +6 位作者 WANG Aiyang ZHANG Song HE Qianglong REN Shifeng FANG Jie WANG Zihan WANG Weimin 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第5期1319-1324,共6页
Micrometer-sized diamonds were incorporated into silicon nitride(Si_(3)N_(4))matrix to manufacture high-performance Si_(3)N_(4)-based composites using spark plasma sintering at 1500℃under 50 MPa.The effects of the di... Micrometer-sized diamonds were incorporated into silicon nitride(Si_(3)N_(4))matrix to manufacture high-performance Si_(3)N_(4)-based composites using spark plasma sintering at 1500℃under 50 MPa.The effects of the diamond content on the phase composition,microstructure,mechanical properties and thermal conductivity of the composites were investigated.The results showed that the addition of diamond could effectively improve the hardness of the material.The thermal conductivity of Si_(3)N_(4)increased to 52.97 W/m·k at the maximum with the addition of 15 wt%diamond,which was 27.5%higher than that of the monolithic Si_(3)N_(4).At this point,the fracture toughness was 7.54 MPa·m^(1/2).Due to the addition of diamond,the composite material generated a new substance,MgSiN2,which effectively combined Si_(3)N_(4)with diamond.MgSiN2 might improve the hardness and thermal conductivity of the materials. 展开更多
关键词 spark plasma sintering Si_(3)N_(4) DIAMOND thermal conductivity mechanical properties
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Thermo-Physical Potential of Recycled Banana Fibers for Improving the Thermal and Mechanical Properties of Biosourced Gypsum-Based Materials
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作者 Youssef Maaloufa Soumia Mounir +8 位作者 Sara Ibnelhaj Fatima Zohra El Wardi Asma Souidi Yakubu Aminu Dodo Malika Atigui Mina Amazal Abelhamid Khabbazi Hassan Demrati Ahmed Aharoune 《Journal of Renewable Materials》 EI CAS 2024年第4期843-867,共25页
The development of bio-sourced materials is essential to ensuring sustainable construction;it is considered a locomotive of the green economy.Furthermore,it is an abundant material in our country,to which very little ... The development of bio-sourced materials is essential to ensuring sustainable construction;it is considered a locomotive of the green economy.Furthermore,it is an abundant material in our country,to which very little attention is being given.This work aims to valorize the waste of the trunks of banana trees to be used in construction.Firstly,the physicochemical properties of the fiber,such as the percentage of crystallization and its morphology,have been determined by X-ray diffraction tests and scanning electron microscopy to confirm the potential and the impact of the mode of drying on the quality of the banana fibers,with the purpose to promote the use of this material in construction.Secondly,the results obtained with the gypsum matrix allowed us to note a preponderant improvement in the composite’s thermal properties thanks to the variation of the banana fiber additive.Thirdly,the impact of the nature of the banana fiber distribution(either fiber mixed in matrix or fiber series model)on the flexural and compressive strengths of the composites was studied.The results obtained indicate that the insulation gain reaches up to 40%.It depends on the volume fraction and type of distribution of the banana fibers.However,the thermal inertia of the composites developed,represented by thermal diffusivity and thermal effusivity,was studied.Results indicate a gain of 40%and 25%,respectively,in terms of thermal diffusivity and thermal effusivity of the developed composites compared to plaster alone.Concerning the mechanical properties,the flexural strength depends on the percentage of the volume fraction of banana fibers used,and it can reach 20%more than the flexural strength of plaster;nevertheless,there is a significant loss in terms of the compressive strength of the studied composites.The results obtained are confirmed by the microstructure of the fiber banana.In fact,the morphology of the banana fibers was improved by the drying process.It reduces the amorphous area and improves the cellulosic crystalline surfaces,which assures good adhesion between the fiber and the matrix plaster.Finally,the dimensionless coefficient analysis was done to judge the optimal proportion of the banana fiber additive and to recommend its use even on false ceilings or walls. 展开更多
关键词 Biosourced materials fiber banana flexural strength mechanical properties open-air drying PLASTER thermal properties waste management
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Composite Panels from the Combination of Rice Husk and Wood Chips with a Natural Resin Based on Tannins Reinforced with Sugar Cane Molasses Intended for Building Insulation: Physico-Mechanical and Thermal Properties
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作者 Paul Nestor Djomou Djonga Rosellyne Serewane Deramne +2 位作者 Gustave Assoualaye Ahmat Tom Tégawendé Justin Zaida 《Journal of Materials Science and Chemical Engineering》 2024年第2期19-30,共12页
The objective of this work is to develop new biosourced insulating composites from rice husks and wood chips that can be used in the building sector. It appears from the properties of the precursors that rice chips an... The objective of this work is to develop new biosourced insulating composites from rice husks and wood chips that can be used in the building sector. It appears from the properties of the precursors that rice chips and husks are materials which can have good thermal conductivity and therefore the combination of these precursors could make it possible to obtain panels with good insulating properties. With regard to environmental and climatic constraints, the composite panels formulated at various rates were tested and the physico-mechanical and thermal properties showed that it was essential to add a crosslinker in order to increase certain solicitation. an incorporation rate of 12% to 30% made it possible to obtain panels with low thermal conductivity, a low surface water absorption capacity and which gives the composite good thermal insulation and will find many applications in the construction and real estate sector. Finally, new solutions to improve the fire reaction of the insulation panels are tested which allows to identify suitable solutions for the developed composites. In view of the flame tests, the panels obtained are good and can effectively combat fire safety in public buildings. 展开更多
关键词 Composite Panels Tannins Reinforced Sugar Cane Molasses Building Insulation mechanical and thermal Properties
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Teaching Experiment in Engineering Mechanics Based on Simulation Technology:A Case Study
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作者 Jinru Ma 《Journal of Contemporary Educational Research》 2024年第7期277-282,共6页
This paper explores the integration of simulation technology in Engineering Mechanics(EM)teaching in vocational colleges.A case study was conducted using the tensile test as an example,and digital resources,such as co... This paper explores the integration of simulation technology in Engineering Mechanics(EM)teaching in vocational colleges.A case study was conducted using the tensile test as an example,and digital resources,such as colored Mises stress nephograms,were obtained.These resources were integrated into the original curriculum to conduct teaching experiments.The results show that the use of digital resources significantly improved the quality of teaching in EM.The integration of simulation technology in EM teaching provides a promising direction for the improvement of vocational education and the cultivation of high-quality skilled talents.The development and application of more simulation-based teaching cases should be studied by scholars. 展开更多
关键词 Engineering mechanics simulation technology Teaching experiment TEACHING Vocational education
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STUDY ON MESO-MECHANICAL SIMULATION OF GROUTING FOR UNFAVORABLE GEOLOGICAL CONDITIONS
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作者 秦鹏飞 钟宏伟 刘坚 《工程力学》 EI CSCD 北大核心 2023年第S01期248-258,共11页
The numerical simulation program of PFC2D(Particle Flow Code in 2 Dimension)particle flow based on the flow-solid coupling principle and,on its built-in FISHTANK function library and FISH language,defines the flow equ... The numerical simulation program of PFC2D(Particle Flow Code in 2 Dimension)particle flow based on the flow-solid coupling principle and,on its built-in FISHTANK function library and FISH language,defines the flow equation and pressure equation of fluid domain respectively,and carries out numerical simulation calculations on the diffusion process and,on the morphology and particle displacement of slurry during the slurry injection process.By adjusting the parameters of hist,n_bond,s_bond and measure in the PFC command flow,the tracking of granular body displacement changes is achieved,and the mesoscopic mechanism such as the diffusion law of soil slurry at different depths and the change of formation porosity is revealed.The numerical calculations show that:the grouting pressure has a significant effect on the alteration and destruction of the formation structure,and the fracturing effect becomes gradually worse with increasing adhesive strength,while the porosity increases significantly with increasing grouting pressure.Based on the elastic-plastic theory of the Mohr-Colomb criterion to theoretically derive the stress field of the soil around the borehole,it is pointed out that the mechanical mechanism of annular tension and radial compression is the fundamental reason for the appearance of fracturing grouting action mode.The increase of slurry viscosity is beneficial to improve the grouting effect of fracturing-compacting grouting,while the increase of friction coefficient has little effect on the grouting effect.The comparative analysis of the laboratory tests shows that the PFC2D simulation of the grouting process is feasible. 展开更多
关键词 formation grouting particle flow numerical simulation meso-analysis slurry diffusion STUDY soil FOUNDATION mechanICS calculation
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Computer Simulation of Thermal-Mechanical Processing 被引量:2
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作者 Ruiheng Wu, Zigang Li, Hongbing Chang, T. Y. Hsu (Zuyao Xu) and Xueyu Ruan 1.Department of Plasticity Technology, Shanghai Jiao Tong University, Shanghai 200030, China 2.Department of Metallurgical Engineering, Shanghai Technical College of Metallurgy, 《Journal of Shanghai Jiaotong university(Science)》 EI 2000年第1期274-281,共8页
Supported by the high-speed SGI engineering workstation and the general MARCTM software, a system is developed to simulate the hot deformation process and the cooling process after deformation in the forging of Cr12 s... Supported by the high-speed SGI engineering workstation and the general MARCTM software, a system is developed to simulate the hot deformation process and the cooling process after deformation in the forging of Cr12 steel on the basis of elastic-plastic FEM techniques with coupled thermal-mechanical-microstructural alteration. In this system, a mathematical model, obtained by plentiful physical simulation experiments on Gleeble 1500 thermomechanical simulator, is introduced to describe the changes in microstructure and properties of steels. This system is proved to be reliable to simulate the thermal field and stress field as well as the microstructure of Cr12 steel during the forging process. It can also be used to optimize and control the forging process. 展开更多
关键词 COMPUTER simulation FORGING ELASTIC-PLASTIC FEM COUPLED thermal-mechanical-microstructural
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Numerical simulation of a sheet metal extrusion process by using thermal-mechanical coupling EAS FEM 被引量:2
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作者 ZhanghuaChen T.C.Lee 《Journal of University of Science and Technology Beijing》 CSCD 2002年第5期378-382,共5页
The thermal-mechanical coupling finite element method(FEM)was usedto simulate a non-isothermal sheet metal extrusion process. On thebasis of the finite plasticity consistent with multiplicativedecomposition of the def... The thermal-mechanical coupling finite element method(FEM)was usedto simulate a non-isothermal sheet metal extrusion process. On thebasis of the finite plasticity consistent with multiplicativedecomposition of the deformation gradient, the enhanced as- sumedstrain(EAS)FEM was applied to carry out the numerical simulation. Inorder to make the computation reliable ad avoid hour- glass mode inthe EAS element under large compressive strains, an alterative formof the original enhanced deformation gradient was employed. Inaddition, reduced factors were used in the computation of the elementlocal internal parameters and the enhanced part of elementalstiffness. 展开更多
关键词 enhanced assumed strain element thermal-mechanical coupling process houyrglass mode
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Effects of seepage pressure on the mechanical behaviors and microstructure of sandstone 被引量:1
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作者 Xuewei Liu Juxiang Chen +3 位作者 Bin Liu Sai Wang Quansheng Liu Jin Luo 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第6期2033-2051,共19页
Surrounding rocks of underground engineering are subjected to long-term seepage pressure,which can deteriorate the mechanical properties and cause serious disasters.In order to understand the impact of seepage pressur... Surrounding rocks of underground engineering are subjected to long-term seepage pressure,which can deteriorate the mechanical properties and cause serious disasters.In order to understand the impact of seepage pressure on the mechanical property of sandstone,uniaxial compression tests,P-wave velocity measurements,and nuclear magnetic resonance(NMR)tests were conducted on saturated sandstone samples with varied seepage pressures(i.e.0 MPa,3 MPa,4 MPa,5 MPa,6 MPa,7 MPa).The results demonstrate that the mechanical parameters(uniaxial compressive strength,peak strain,elastic modulus,and brittleness index),total energy,elastic strain energy,as well as elastic strain energy ratio,decrease with increasing seepage pressure,while the dissipation energy and dissipation energy ratio increase.Moreover,as seepage pressure increases,the micro-pores gradually transform into meso-pores and macro-pores.This increases the cumulative porosity of sandstone and decreases P-wave velocity.The numerical results indicate that as seepage pressure rises,the number of tensile cracks increases progressively,the angle range of microcracks is basically from 50-120to 80-100,and as a result,the failure mode transforms to the tensile-shear mixed failure mode.Finally,the effects of seepage pressure on mechanical properties were discussed.The results show that decrease in the effective stress and cohesion under the action of seepage pressure could lead to deterioration of strength behaviors of sandstone. 展开更多
关键词 Rock mechanics mechanical property Seepage pressure Numerical simulation MICROCRACKS
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A Simulation Software for the Prediction of Thermal and Mechanical Properties of Wood Plastic Composites
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作者 Ritu Gupta Norrozila Binti Sulaiman +1 位作者 Arun Gupta M.D.H. Beg 《Computer Technology and Application》 2013年第1期1-5,共5页
Modelling and simulation has become an important tool in research and development. Simulation models are used to develop better understanding of the internal properties and impact of various parameters on the final qu... Modelling and simulation has become an important tool in research and development. Simulation models are used to develop better understanding of the internal properties and impact of various parameters on the final quality of the product or process. Simulation model reduces the number of experiments and saves the wastage of material, time and money and are widely used in automobile industry, aircrafts manufacturing, process engineering, training for military, health care sector and many more. Wood Plastic Composite (WPC) is a bio-composite made by mixing wood fibers and plastic granules together at high temperature by compression molding or injection molding. A large quantity of WPC is rejected due to poor quality and low mechanical strength. There is a need to improve the understanding of the wood plastic composites, with both theoretical and experimental analysis. The impact of various parameters and processing conditions on the final product is not known to the industry people, due to less simulation models in this field. A new simulation software WPC Soft is developed to predict the mechanical and thermal properties of WPC. The software can predict the mechanical and thermal properties of WPC. The simulation results were validated with the experimental results and it was observed that the predicted values are quite close to the experimental values and with the further refining of the model, prediction can be further improved. The present simulation software can be easily used by the industry people and it requires very little knowledge of computers or modeling for its operation. 展开更多
关键词 Wood plastic composite simulation software heat transfer mechanical properties.
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A method for 3D simulation of internal gas effects on thermal-mechanical behaviors in nuclear fuel elements
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作者 JIANG Yijie CUI Yi HUO Yongzhong DING Shurong 《Nuclear Science and Techniques》 SCIE CAS CSCD 2011年第3期185-192,共8页
A new method for three-dimensional simulation of the interaction between the gas and the solid around is developed.The effects of the gas on the thermal-mechanical behaviors within the surrounded solid are performed b... A new method for three-dimensional simulation of the interaction between the gas and the solid around is developed.The effects of the gas on the thermal-mechanical behaviors within the surrounded solid are performed by replacing the internal gas with an equivalent solid in the modeling,which can make it convenient to simulate the thermal-mechanical coupling effects in the solid research objects with gases in them.The applied thermal expansion coefficient,Young's modulus and Poisson's ratio of the equivalent solid material are derived.A series of tests have been conducted;and the proposed equivalent solid method to simulate the gas effects is validated. 展开更多
关键词 热机械行为 气体效应 三维模拟 核燃料元件 仿真方法 热膨胀系数 相互作用 耦合效应
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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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作者 Jianbo Fu Hui Ren +3 位作者 Xinzhou Wu Yongjin Chen Mi Zhang Yazhi Cheng 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期134-146,共13页
2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigat... 2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The 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 largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In 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 PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process. 展开更多
关键词 PYX thermal decomposition ReaxFF-lg MD simulations Excellent thermostable explosives
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Progress in Mechanical Modeling of Implantable Flexible Neural Probes
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作者 Xiaoli You Ruiyu Bai +9 位作者 Kai Xue Zimo Zhang Minghao Wang Xuanqi Wang Jiahao Wang Jinku Guo Qiang Shen Honglong Chang Xu Long Bowen Ji 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第8期1205-1231,共27页
Implanted neural probes can detect weak discharges of neurons in the brain by piercing soft brain tissue,thus as important tools for brain science research,as well as diagnosis and treatment of brain diseases.However,... Implanted neural probes can detect weak discharges of neurons in the brain by piercing soft brain tissue,thus as important tools for brain science research,as well as diagnosis and treatment of brain diseases.However,the rigid neural probes,such as Utah arrays,Michigan probes,and metal microfilament electrodes,are mechanically unmatched with brain tissue and are prone to rejection and glial scarring after implantation,which leads to a significant degradation in the signal quality with the implantation time.In recent years,flexible neural electrodes are rapidly developed with less damage to biological tissues,excellent biocompatibility,and mechanical compliance to alleviate scarring.Among them,the mechanical modeling is important for the optimization of the structure and the implantation process.In this review,the theoretical calculation of the flexible neural probes is firstly summarized with the processes of buckling,insertion,and relative interaction with soft brain tissue for flexible probes from outside to inside.Then,the corresponding mechanical simulation methods are organized considering multiple impact factors to realize minimally invasive implantation.Finally,the technical difficulties and future trends of mechanical modeling are discussed for the next-generation flexible neural probes,which is critical to realize low-invasiveness and long-term coexistence in vivo. 展开更多
关键词 mechanical modeling flexible neural probes INVASIVE theoretical calculation simulation
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Study on Dynamic Mechanical Behavior of Al-Mg-Si Alloy
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作者 陶小旺 LIU Jibo +3 位作者 LIU Xianbin CHEN Jianbin WANG Yonggang 汪小锋 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第2期454-462,共9页
The dynamic mechanical behavior of Al-Mg-Si alloy was investigated under different strain rates by mechanical property and microstructure characterization,constitutive behavior analysis and numerical simulation in the... The dynamic mechanical behavior of Al-Mg-Si alloy was investigated under different strain rates by mechanical property and microstructure characterization,constitutive behavior analysis and numerical simulation in the present study.As the strain rate increases,the yield strength,ultimate tensile strength and elongation increase first,then remain almost constant,and finally increase.The alloy always exhibits a typical ductile fracture mode,not depending on the strain rate.However,as the strain rate increases,the number of dimples gradually increases.Tensile deformation can refine grains,however,the grain structure is slightly affected by the strain rate.An optimized Johnson-Cook constitutive equation was used to describe the mechanical behavior and obtained by fitting the true stress-strain curves.The parameter C was described by a function related to the strain rate.The fitting true stress-strain curves by the JC model agree very well with the experimental true stress-strain curves.The true stress-strain curves calculated by the finite element numerical simulation agree well with the experimental true stress-strain curves. 展开更多
关键词 Al-Mg-Si alloy strain rate mechanical property MICROSTRUCTURE Johnson-Cook model finite element simulation
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Design and mechanical properties analysis of a cellular Waterbomb origami structure
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作者 Yongtao Bai Zhaoyu Wang Yu Shi 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2024年第3期193-202,共10页
Cellular structures are commonly used to design energy-absorbing structures,and origami structures are becominga prevalent method of cellular structure design.This paper proposes a foldable cellular structure based on... Cellular structures are commonly used to design energy-absorbing structures,and origami structures are becominga prevalent method of cellular structure design.This paper proposes a foldable cellular structure based on theWaterbomb origami pattern.The geometrical configuration of this structure is described.Quasi-static compressiontests of the origami tube cell of this cellular structure are conducted,and load-displacement relationship curvesare obtained.Numerical simulations are carried out to analyze the effects of aspect ratio,folding angle,thicknessand number of layers of origami tubes on initial peak force and specific energy absorption(SEA).Calculationformulas for initial peak force and SEA are obtained by the multiple linear regression method.The degree ofinfluence of each parameter on the mechanical properties of the single-layer tube cell is compared.The resultsshow that the cellular structure exhibits negative stiffness and periodic load-bearing capacity,as well as foldingangle has the most significant effect on the load-bearing and energy-absorbing capacity.By adjusting the designparameters,the stiffness,load-bearing capacity and energy absorption capacity of this cellular structure can beadjusted,which shows the programmable mechanical properties of this cellular structure.The foldability andthe smooth periodic load-bearing capacity give the structure potential for application as an energy-absorbing structure. 展开更多
关键词 Cellular structure Waterbomb origami mechanical metamaterial Numerical simulation Energy absorption
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Characteristics of Emission Non-nulling Pulsars Through Simulation
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作者 Rai Yuen 《Research in Astronomy and Astrophysics》 SCIE CAS CSCD 2024年第4期91-102,共12页
We investigate the population and several properties of radio pulsars whose emission does not null(non-nulling)through simulation of a large pulsar sample.Emission from a pulsar is identified as non-nulling if(i)the e... We investigate the population and several properties of radio pulsars whose emission does not null(non-nulling)through simulation of a large pulsar sample.Emission from a pulsar is identified as non-nulling if(i)the emission does not cease across the whole pulse profile,and(ii)the emission is detectable.For(i),we adopt a model for switching in the plasma charge density,and emission persists if the charge density is non-zero.For(ii),we assume that detectable emission originates from source points where it is emitted tangentially to the magnetic field-line and parallel to the line-of-sight.We find that pulsars exhibiting non-nulling emission possess obliquity angles with an average of 42°.5,and almost half the samples maintain a duty cycle between 0.05 and 0.2.Furthermore,the pulsar population is not fixed but dependent on the obliquity angle,with the population peaking at 20°.In addition,three evolutionary phases are identified in the pulsar population as the obliquity angle evolves,with the majority of samples having an obliquity angle between 20°and 65°.Our results also suggest that emission from a pulsar may evolve between nulling and non-nulling during its lifetime. 展开更多
关键词 radiation mechanisms:non thermal stars:neutron (stars:)pulsars:general
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