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Phase-field modeling for anisotropic ductile damage of magnesium alloys at finite deformations

Journal of Magnesium and Alloys 2024年第7期12卷 2967-2984页

作者： C.Xie X.K.He X.Liu J.H.Ye J.B.Chen Faculty of Mechanical Engineering and Mechanics Ningbo UniversityNingbo 315211PR China Key Laboratory of High Temperature Wear Resistant Materials Preparation Technology of Hunan Province Hunan University of Science and TechnologyXiangtan 411201PR China

The damage anisotropy of an extruded ZK60 Mg alloy is characterized using tensile tests and scanning electronic *** accumulation of anisotropic deformations leads to the great differences of the dimple evolution and strains at fracture along different loading *** introduce the anisotropic deformation information into the damage constitutive relationship,a thermodynamically consistent phase-field model of ductile damage fully coupled with elastoplastic finite deformations is developed in this *** the user-defined constitutive relationship and displacement-temperature coupling element,the finite element simulations are *** results show that:(1)ZK60 Mg alloys presents clear R-value difference in 0°,45°,and 90°tests of intact *** 45°test possesses the greatest R-value(1.50)and the greatest strain at fracture,however,the R-value for 0°is less than 1,indicating the thinning is preferential.(2)The higher ultimate stress leads to a larger average dimension of the dimples,whereas the higher density correlates with a larger elongation ratio at the *** disappearance of the stress-bearing area indicates that the phase-field assumption on stress degradation is completely compatible with the dimple analysis on fractography.(3)The simulation results of the stress-strain relationships and damage paths correlate well with the experimental ductile damage of magnesium alloys at 200◦*** errors are basically attributed to the modeling parameters and finite element iteration *** proposed model presents fine applicability and reliability for the predictions of plastic deformations,ductile damage,and fracture of anisotropic Mg alloys.

关键词： Ductile damage Anisotropy Phase field Constitutive relationship Magnesium

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Stress-corrosion coupled damage localization induced by secondary phases in bio-degradable Mg alloys:phase-field modeling

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Journal of Magnesium and Alloys 2024年第1期12卷 361-383页

作者： Chao Xie Shijie Bai Xiao Liu Minghua Zhang Jianke Du The Faculty of Mechanical Engineering and Mechanics Ningbo UniversityNingbo 315211P.R.China Key Laboratory of High Temperature Wear Resistant Materials Preparation Technology of Hunan Province Hunan University of Science and TechnologyXiangtan 411201P.R.China

In this study,a phase-field scheme that rigorously obeys conservation laws and irreversible thermodynamics is developed for modeling stress-corrosion coupled damage(SCCD).The coupling constitutive relationships of the deformation,phase-field damage,mass transfer,and electrostatic field are derived from the entropy *** SCCD localization induced by secondary phases in Mg is numerically simulated using the implicit iterative algorithm of the self-defined finite *** quantitative evaluation of the SCCD of a C-ring is in good agreement with the experimental *** capture the damage localization,a micro-galvanic corrosion domain is defined,and the buffering effect on charge migration is *** cases are investigated to reveal the effect of localization on corrosion acceleration and provide guidance for the design for resistance to SCCD at the crystal scale.

关键词： Phase field Mg alloys Stress-corrosion coupled damage Damage localization Finite element method

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Unveiling the mechanical response and accommodation mechanism of pre-rolled AZ31 magnesium alloy under high-speed impact loading

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Journal of Magnesium and Alloys 2022年第4期10卷 1096-1108页

作者： Xiao Liu Hui Yang Biwu Zhu Yuanzhi Wu Wenhui Liu Changping Tang Key Laboratory of High Temperature Wear Resistant Materials Preparation Technology of Hunan Province Hunan University of Science and TechnologyXiangtanHunan 411201China Research Institute of Automobile Parts Technology Hunan Institute of TechnologyHengyangHunan 421002China

Split Hopkinson pressure bar(SHPB)tests were conducted on pre-rolled AZ31 magnesium alloy at 150–350℃ with strain rates of 2150s-1,3430s^(-1) and *** mechanical response,microstructural evolution and accommodation mechanism of the pre-rolled AZ31 magnesium alloy under high-speed impact loading were *** twin and shear band are prevailing at low temperature,and the coexistence of twins and recrystallized grains is the dominant microstructure at medium temperature,while at high temperature,dynamic recrystallization(DRX)is almost *** increment of temperature reduces the critical condition difference between twinning and DRX,and the recrystallized temperature decreases with increasing strain *** mechanical response is related to the competition among the shear band strengthen,the twin strengthen and the fine grain strengthen and determined by the prevailing grain *** fine grain strengthen could compensate soften caused by the temperature increase and the reduction of twin and shear *** high-speed deformation,different twin variants,introduced by pre-rolling,induce different deformation mechanism to accommodate plastic deformation and are in favor for non-basal *** low temperature,the high-speed deformation is achieved by twinning,dislocation slip and the following deformation shear band at different deformation *** high temperature,the high-speed deformation is realized by twinning and dislocation slip of early deformation stage,transition shear band of medium deformation stage and DRX of final deformation stage.

关键词： Mechanical response Pre-twinning Accommodation mechanism Pre-rolled AZ31 magnesium alloy High-speed impact loading

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Multi-cyclic Swelling for Self-regulated Growth of Covalently Crosslinked Polymers

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Chinese Journal of Polymer Science 2025年第3期43卷 509-516页

作者： De-Fu Zhu Hong Wang Jian Chen Xin-Hong Xiong Jia-Xi Cui Yangtze Delta Region Institute(Huzhou) University of Electronic Science and Technology of ChinaHuzhou 313001China Key Laboratory of Theoretical Organic Chemistry and Functional Molecule of Ministry of Education Hunan Provincial Key Laboratory of Controllable Preparation and Functional Application of Fine PolymersHunan Provincial Key Lab of Advanced Materials for New Energy Storage and ConversionHunan Province College Key Laboratory of QSAR/QSPRSchool of Chemistry and Chemical EngineeringHunan University of Science and TechnologyXiangtan 411201China Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China ChengduChengdu 611731China

Organisms are capable of self-growth through the integration of the nutrients provided by the external *** process slows down when they *** this study,we mimicked this self-regulated growth via a simple swelling-polymerization strategy in which the stretching polymer chains in the original networks provide entropic elasticity to restrict growth in high growth *** typical covalently crosslinked polymers,such as acrylamide-based hydrogels and HBA-based elastomers,as examples,we demonstrate that the crosslinked polymers can absorb polymerizable compounds through a swelling-polymerization process to expand their sizes,but the growth extent becomes smaller with increasing growth cycle until reaching a *** addition to their size,these materials become stiffer and exhibit less swelling ability in *** work not only provides a new growing mode to tune the properties of crosslinked polymers but also discloses the underlying mechanism of crosslinked polymers in multi-cyclic swelling conditions.

关键词： Crosslinked polymers Swelling Self-growing Mechanical property

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Organic stoichiometric cocrystals with a subtle balance of charge-transfer degree and molecular stacking towards high-efficiency NIR photothermal conversion

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Chinese Chemical Letters 2024年第10期35卷 180-186页

作者： Jieqiong Xu Wenbin Chen Shengkai Li Qian Chen Tao Wang Yadong Shi Shengyong Deng Mingde Li Peifa Wei Zhuo Chen Institutes of Physical Science and Information Technology Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of EducationAnhui Graphene Engineering LaboratoryAnhui UniversityHefei 230601China Molecular Science and Biomedicine Laboratory(MBL).State Key Laboratory of Chemo/Biosensing and Chemometrics College of Chemistry and Chemical EngineeringCollege of BiologyAptamer Engineering Center of Hunan ProvinceHunan UniversityChangsha 410082China Department of Chemistry and Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province Shantou UniversityShantou515063China

Charge-transfer(CT)stoichiometric cocrystals are promising choice of organic materials for unveiling the structure-property ***,due to the contradiction between large CT degree required for strong NIR absorption and flexible molecular stacking,construction of stoichiomorphism-based cocystals with near-infrared(NIR)photothermal property remains ***,the first example of stoichiomorphism-based photothermal cocrystals were accomplished through the adaptive assembly of 3,3,5,5-tetramethylbenzidine(TMB)donor and 1,2,4,5-tetracyanobenzene(TCNB)*** selective cocrystallization could be controlled by varying the donor-acceptor stoichiometries via a surfactantassisted method,resulting in two cocrystals with 1:1(T1C1)and 1:2(T2C1)*** absorbance intensity of T1C1 at 808 nm was nearly twice that of T2C1,while the photothermal conversion efficiency(PCE)of the former was 60.3%±0.6%,approximately 80%of that for the latter(75.5%±2.6%),which might be caused by the different intermolecular interactions in distinct molecular stacking ***,both excellent PCEs of stoichiometric cocrystals were attributed to the nonradiative transition process,including internal conversion and charge dissociation processes,as elucidated by femtosecond transient absorption spectroscopy ***,T1C1 was used as an NIR heater for preparing agarose-based photothermal hydrogel,showing great potential for light-controlled in-situ *** strategy of balancing the CT degree and molecular packing orientation not only uncovered the relationship between stoichiometric stacking and photothermal property,but also provided an opportunity to develop advanced organic optoelectronic materials.

关键词： Charge-transfer cocrystal Stoichiometric stacking Crystal growth Photothermal conversion In-situ gelation

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Effects of non-viable microbial film on corrosion of pipeline steel in soil environment

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Corrosion Communications 2021年第3期3卷 23-33页

作者： Xiaobao Zhou Zhaofen Zhou Tangqing Wu Cong Li Zhi Li Key Laboratory of Materials Design and Preparation Technology of Hunan Province School of Materials Science and Engineering Xiangtan University

In this paper, the effects of the corrosion product and non-viable microbial film on the corrosion behavior of X80 steel in the aerobic soil solution were studied via electrochemical measurement, scanning electron microscopy(SEM) and X-ray photoelectron spectroscopy(XPS). Uniform corrosion dominated the corrosion process of the control coupon, while the local corrosion sensibility of the corrosion products(CP) and microbial film(MF) coupons increased in the same environment. Generally, the original corrosion product on the steel surface enhanced its corrosion rate at the initial stage of the experiment, while the enhancing role decreased at the end of the experiment. The non-viable microbial film on the steel surface intensively accelerated its corrosion rate at the initial stage, and the acceleration role always existed throughout the experiment. The acceleration role of the microbial film may stem from the combined effects of extracellular polymer substance(EPS), Fe oxides and sulfides.

关键词： Sulfate-reducing bacteria (SRB) Microbiologically induced corrosion (MIC) Electrochemical impedance spectroscopy (EIS) Soil corrosion

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preparation of low cobalt-doped LiNiO2 materials by the spray pyrolysis method

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Progress in Natural Science:materials International 2023年第4期33卷 425-432页

作者： Bianzheng You Zhixing Wang Ding Wang Gui Luo Duo Deng Guochun Yan Huajun Guo Xinhai Li Wenjie Peng Mingxia Dong Jiexi Wang National Key Laboratory of Energy Metal Resources and New Materials Engineering Research Center of the Ministry of Education for Advanced Battery Materials Hunan Provincial Key Laboratory of Nonferrous Value-Added Metallurgy School of Metallurgy and Environment Central South University National and Local Joint Engineering Laboratory for Lithium-ion Batteries and Materials Preparation Technology Key Laboratory of Advanced Battery Materials of Yunnan Province Faculty of Metallurgical and Energy Engineering Kunming University of Science and Technology Research Institute BASF Shanshan Battery Materials Co LTD.

LiNiO2（LNO） is recognized as the most promising cathode material for next-generation lithium-ion batteries owing to its highest energy density and economic benefit in the layered oxide cathode materials ***, severe cation disordering, multiple phase transformations and poor lithium-ion diffusion kinetics,which result in rapid degradation of cycling stabilities and rate properties, hinder its further practical applications. Cobalt doping is an effective strategy to address such issues, but the influences of cobalt on LNO materials have not been figured out completely yet. Hence, a systematical investigation of cobalt doping for LiNiO2cathode materials prepared by spray pyrolysis is conducted. The addition of cobalt enhances the stabilities of layered structures and suppresses the cation disordering effectively. The multiple-phase transformations during cycling are also alleviated significantly. Furthermore, cobalt doping can decrease charge transfer resistances and improve lithium-ion diffusion kinetics, especially at high de-lithiation states. As a result, the electrochemical performances are improved comprehensively after cobalt doping. The LNO with optimal doping amount exhibits an improved capacity retention of 78.0% after 100 cycles as compared with 64.9% for pristine LNO, and an outstanding rate performance of 167.2 mA h g-1with the current density of 5 C(1 C = 200 mA g-1).

关键词： Lithium nickel oxides Spray pyrolysis Cobalt doping Phase transformations Lithium-ion diffusion kinetics

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Thermal modification of brittle CoFeNi_(2)(Ti_(3)Si_(5))_(0.16) eutectic high-entropy alloy by annealing treatment

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Science China(Technological Sciences) 2023年第4期66卷 966-975页

作者： ZHANG LingKun WANG MingLiang HUANG Rui CHEN XiaoHu REN Zheng HE Tao LU YiPing Key Laboratory of Solidification Control and Digital Preparation Technology(Liaoning Province) School of Materials Science and EngineeringDalian University of TechnologyDalian 116024China Ningbo Branch of Chinese Academy of Ordnance Science Ningbo 315103China Wuhan Second Ship Design and Research Institute Wuhan 430205China

Adopting the idea of thermal modification of conventional Si-containing eutectic alloys,this study performed heating of the brittle CoFeNi_(2)(Ti_(3)Si_(5))_(0.16) eutectic high-entropy alloy under various annealing conditions to attempt the fragmentation and spheroidization of eutectic microstructure and improve fracture *** reveal that the as-cast alloy exhibited fine eutectic microstructures with lamellar+network morphologies,consisting of face-centered cubic(FCC)and M_(16)Ti_(6)Si_(7)-type *** annealing at 1100℃×120 h,the lamellar+network eutectic morphologies were effectively fragmented and spheroidized into granular+irregular *** resulting alloy featured excellent mechanical properties with an ultimate compressive strength(UCS)of 1980±50 MPa,fracture plasticity of~16.6%±1%,and hardness of~448±15 *** with the as-cast specimen,the fracture plasticity of the specimen annealed for 120 h increased by 12.7 times,with no UCS *** a further increase in the annealing time,the hard M_(16)Ti_(6)Si_(7)-type silicide was seriously coarsened,deteriorating the alloy’s room-temperature mechanical properties but improving its high-temperature ones.

关键词： eutectic high-entropy alloy mechanical properties thermal modification annealing

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Flexible and free-standing La_(0.33)Ti_(2)(PO_(4))_(3)/C nanofibers film as a novel high-performance anode for sodium-and potassium-ion batteries

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Rare Metals 2023年第10期42卷 3387-3398页

作者： Jing Dai Jian Jing Jian-Ping Yang Wen Zhang Shao-Xiong Liu Qian-Fu Wang Jia-Xing Wen Hai Hu Hui-Fang Li Li Liu National Base for International Science&Technology Cooperation National Local Joint Engineering Laboratory for Key Materials of New Energy Storage BatteryKey Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of EducationHunan Province Key Laboratory of Electrochemical Energy Storage and ConversionSchool of ChemistryXiangtan UniversityXiangtan411105China College of Electromechanical Engineering Shandong Engineering Laboratory for Preparation and Application of High-Performance Carbon-MaterialsQingdao University of Science&TechnologyQingdao266061China

Na superionic conductor(NASICON)-type La_(0.33)Ti_(2)(PO_(4))_(3)(LaTP) is firstly proposed as sodium/potassium storage *** density functional theory(DFT) calculations show that LaTP has good electronic character and low Na^(+)/K^(+)migration *** flexible La_(0.33)Ti_(2)(PO_(4))_(3)/C nanofiber film is synthesized via electrostatic spinning and investigated as free-standing electrode applied to sodium-ion batteries(SIBs) and potassiumion batteries(PIBs) in this *** low band gap and Na^(+)/K^(+) migration barriers of LaTP,unique morphology,and complete conductive carbon net allow the La_(0.33)Ti_(2)(PO_(4))_(3)/C nanofibers film to deliver high capacity(296.3 mAh·g^(-1) for SIBs and 235.8 mAh·g^(-1) for PIBs),excellent rate performance(142.5 mAh·g^(-1) for SIBs and50.5 mAh·g^(-1) for PIBs at 1.00 A·g^(-1)),and superior cyclability above 1000 *** full-cell tests show that the material has a good application prospect,indicating a promising flexible anode material for SIBs and PIBs.

关键词： Potassium-ion batteries(PIBs) Sodium-ion batteries(SIBs) Flexible La_(0.33)Ti_(2)(PO_(4))_(3)/C nanofibers film The first-principles calculations Migration potential energy

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Dynamic mesophase transition induces anomalous suppressed and anisotropic phonon thermal transport

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npj Computational materials 2024年第1期10卷 239-248页

作者： Linfeng Yu Kexin Dong Qi Yang Yi Zhang Zheyong Fan Xiong Zheng Huimin Wang Zhenzhen Qin Guangzhao Qin State Key Laboratory of Advanced Design and Manufacturing Technology for Vehicle College of Mechanical and Vehicle EngineeringHunan UniversityChangsha410082People’s Republic of China College of Physical Science and Technology Bohai UniversityJinzhou121013People’s Republic of China Hunan Key Laboratory for Micro-Nano Energy Materials&Device and School of Physics and Optoelectronics Xiangtan UniversityXiangtan411105 HunanChina School of Physics and Microelectronics Zhengzhou UniversityZhengzhou450001China Research Institute of Hunan University in Chongqing Chongqing401133China Greater Bay Area Institute for Innovation Hunan UniversityGuangzhou511300 Guangdong ProvinceChina

The physical/chemical properties undergo significant transformations in the different states arising from phase ***,due to the lack of a dynamic perspective,transitional mesophases are largely underexamined,constrained by the high resource burden of first ***,usingmolecular dynamics(MD)simulations empowered by the machine-learning potential,we proffer an innovative paradigm for phase transition:regulating the thermal transport properties via the transitional mesophase triggered by a uniaxial force *** investigate the mechanical,electrical,and thermal transport properties of the two-dimensional carbon allotrope of Janus-graphene with strain-engineered phase ***,we found that the transitional mesophase significantly suppresses the thermal conductivity and induces strong anisotropy near the phase transition *** machine-learning-driven MD simulations,we achieved highprecision atomic-level simulations of *** results show that thermal vibrationinduced intermediate amorphous or interfacial phases induce strong and anisotropic interfacial thermal *** investigation not only endows uswith a novel perspective onmesophases during phase transitions but also enhances our holistic comprehension of the evolution of material properties.

关键词： thermal transition transport

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