Full concentration gradient lithium-rich layered oxides are catching lots of interest as the next generation cathode for lithium-ion batteries due to their high discharge voltage,reduced voltage decay and enhanced rat...Full concentration gradient lithium-rich layered oxides are catching lots of interest as the next generation cathode for lithium-ion batteries due to their high discharge voltage,reduced voltage decay and enhanced rate performance,whereas the high lithium residues on its surface impairs the structure stability and long-term cycle performance.Herein,a facile multifunctional surface modification method is implemented to eliminate surface lithium residues of full concentration gradient lithium-rich layered oxides by a wet chemistry reaction with tetrabutyl titanate and the post-annealing process.It realizes not only a stable Li_(2)TiO_(3)coating layer with 3D diffusion channels for fast Li^(+)ions transfer,but also dopes partial Ti^(4+)ions into the sub-surface region of full concentration gradient lithium-rich layered oxides to further strengthen its crystal structure.Consequently,the modified full concentration gradient lithium-rich layered oxides exhibit improved structure stability,elevated thermal stability with decomposition temperature from 289.57℃to 321.72℃,and enhanced cycle performance(205.1 mAh g^(-1)after 150 cycles)with slowed voltage drop(1.67 mV per cycle).This work proposes a facile and integrated modification method to enhance the comprehensive performance of full concentration gradient lithium-rich layered oxides,which can facilitate its practical application for developing higher energy density lithium-ion batteries.展开更多
With the aim to further improve the mechanical properties of Mg-A1-RE-based alloy, Mg-3.0Al-1.8Ce-0.3Y-0.2Mn alloy was prepared by high-pressure die-casting technique. The microstructure, thermal stability of intermet...With the aim to further improve the mechanical properties of Mg-A1-RE-based alloy, Mg-3.0Al-1.8Ce-0.3Y-0.2Mn alloy was prepared by high-pressure die-casting technique. The microstructure, thermal stability of intermetallic phases and mechanical properties were investigated. The results show that the alloy is composed of fine primary a-Mg dendrites and eutectic in the interdendritic regions. The intermetallic phases in eutectic are Aln（Ce,Y）3 and A12（Ce,Y） with the former being the dominant one. The thermal stability of Al11（ce,Y）3 is conditioned. It is basically stable at temperature up to 200℃ within 800 h, while most of the Al11（Ce,Y）3 intermetallics transform to A12（Ce,Y） at higher temperature of 450 ℃ for 800 h. The alloy exhibits remarkably improved strength both at room temperature and 200℃, which is mainly attributed to the reinforcement of dendrite boundaries with Alll（Ce,Y）3 intermetallics, small dendritic arm spacing effect as well as the solid solution strengthening with Y element.展开更多
The precipitation behavior in Inconel 718 and modified alloys has been studied by means of TEM.The structure of associated precipitation and compact morphology of γ″+γ′ were ob- tained by modifying the contents of...The precipitation behavior in Inconel 718 and modified alloys has been studied by means of TEM.The structure of associated precipitation and compact morphology of γ″+γ′ were ob- tained by modifying the contents of Al,Ti and Nb.Experimental results show that the com- pact morphology of γ″+γ′ has the best structure stability at higher temperatures.Instead of the transformation γ″→δ in alloy 718 the dissolution of strengthening phases in modified alloy leads material degradation.展开更多
In this paper, we investigate a class of mixed initial-boundary value problems for a kind of n × n quasilinear hyperbolic systems of conservation laws on the quarter plan. We show that the structure of the pieeew...In this paper, we investigate a class of mixed initial-boundary value problems for a kind of n × n quasilinear hyperbolic systems of conservation laws on the quarter plan. We show that the structure of the pieeewise C^1 solution u = u（t, x） of the problem, which can be regarded as a perturbation of the corresponding Riemann problem, is globally similar to that of the solution u = U（x/t） of the corresponding Riemann problem. The piecewise C^1 solution u = u（t, x） to this kind of problems is globally structure-stable if and only if it contains only non-degenerate shocks and contact discontinuities, but no rarefaction waves and other weak discontinuities.展开更多
The global structure stability of the impact-induced tensile waves mentioned by Huang （Huang, S. J. Impact-induced tensile waves in a kind of phase-transforming materials. IMA Journal of Applied Mathematics, 76, 847-...The global structure stability of the impact-induced tensile waves mentioned by Huang （Huang, S. J. Impact-induced tensile waves in a kind of phase-transforming materials. IMA Journal of Applied Mathematics, 76, 847-858 （2011）） is considered. By introducing Riemann invariants, the governing equations of motion are reduced into a 2 ~ 2 diagonally strictly hyperbolic system. Then, with the aid of the theory on the typical free boundary problem and maximally dissipative kinetics, the global structure stability of the impact-induced tensile waves propagating in a phase-transforming material is proved.展开更多
The structures of Ag clusters with sizes n=13 to 1157 are studied by tight binding molecular dynamics simulation. It is found that the stable structures of Ag clusters follow the sequence amorphous-crystalline-amorpho...The structures of Ag clusters with sizes n=13 to 1157 are studied by tight binding molecular dynamics simulation. It is found that the stable structures of Ag clusters follow the sequence amorphous-crystalline-amorphous-crystalline with the cluster size increasing from 13 to 1157. Furthermore, all the shells of Ag clusters are different from the structure of the corresponding bulk Ag.展开更多
Alpha nickel hydroxide has better performances than commercial beta nickel hydroxide. However, the main defect is that α-phase is difficult to synthesize and easily transformed to β-phase Ni（OH）2 upon aging in a s...Alpha nickel hydroxide has better performances than commercial beta nickel hydroxide. However, the main defect is that α-phase is difficult to synthesize and easily transformed to β-phase Ni（OH）2 upon aging in a strong alkaline solution. In this study, the Al-Co, Al-Yb, Yb-Co and Al-Yb-Co multiple doping was used respectively. By controlling the amount of sodium carbonate, the α-Ni（OH）2 was prepared by ultrasonic-assisted precipitation. And the influence of sodium carbonate on the crystalline phase and structure stability for alpha nickel hydroxide was studied. The results demonstrate that, with increasing amount, the biphase nickel hydroxide transforms to pure alpha nickel hydroxide gradually, and the structure stability is also improved. When the amount of sodium carbonate is 2 g, the sample still keeps α-Ni（OH）2 after being aged for 30 days, for Al-Yb-Co-Ni（OH）2. And when the amount is less than 2 g, the phase transformations exist in the samples with different extents. These results demonstrated that the amount of sodium carbonate is a critical factor to maintain the structural stability of α-Ni（OH）2.展开更多
NH_(4)V_(4)O_(10)(NVO)as a cathode material of zincion battery is prone to collapse in the repeated process of embedding and de-embedding of Zn^(2+),and its application is limited by the instability of the material.He...NH_(4)V_(4)O_(10)(NVO)as a cathode material of zincion battery is prone to collapse in the repeated process of embedding and de-embedding of Zn^(2+),and its application is limited by the instability of the material.Here,calciumdoped ammonium vanadate(CNVO)is successfully synthesized via a one-step hydrothermal approach.The intercalated Ca2+in NVO serves as a firm pillar between the[VO_n]layers to maintain the structure stability during the ion insertion/extraction process.Furthermore,density functional theory(DFT)calculations and ex situ experiments reveal that CNVO demonstrates higher affinity and conductivity compared to NVO,which can effectively improve the kinetics of Zn^(2+)diffusion,reduce the electrostatic repulsion of Zn^(2+)during intercalation and deintercalation,and maintaining the stability of the layered structure.As a result,the CNVO material demonstrates outstanding electrochemical performance,delivering a specific capacity of 183 m Ah·g^(-1)at 5 A·g^(-1).Moreover,it sustains an impressive 91%capacity retention after 1300 cycles.展开更多
Gob-side entry retaining(GER)is widely applied in China.Nevertheless,the stability mechanism of the GER with coal pilla r-backfill body(CPBB)under dynamic overburden load remains unexplored.A voussoir beam structure(V...Gob-side entry retaining(GER)is widely applied in China.Nevertheless,the stability mechanism of the GER with coal pilla r-backfill body(CPBB)under dynamic overburden load remains unexplored.A voussoir beam structure(VBS)model is established to analyze roof structure stability during panel advancement,introducing a VBS stability criterion.Reducing block B length l and immediate roof damage variable D,and increasing coal pillar widthχ_(c).lowers the GER structure instability risk.Reducing l and the GER width w leads to a CPBB system stability upswing.A UDEC model was established to systematically reveal how the l,backfill body width x_(b),and strength affect the stability and coupling performance of the CPPB system by monitoring the crack damage D_(C).Simulation results indicate that at l=14 m,χ_(b)=2.0 m,watercement ratio 1.5:1,the coal pillar and backfill body have similar D_(C)but maintain stability,resulting in CPPB system coupling degree K,better.A novel GER method supported by the CPBB was implemented on-site.Monitoring results indicated that the coal pillar peak stresses were 19.17 MPa(ahead),16.14 MPa(behind),and the backfill body peak stress was 12.27 MPa(maximum).The floor heave was380 mm,with a 103 mm backfill body rib.展开更多
The irreversible phase transition and interface side reactions during the cycling process severely limit the large scale application of nickel-rich layered oxides Li[Ni_(x)Co_(y)Mn_(1−x−y)]O_(2)(NCM,x>0.8).Herein,w...The irreversible phase transition and interface side reactions during the cycling process severely limit the large scale application of nickel-rich layered oxides Li[Ni_(x)Co_(y)Mn_(1−x−y)]O_(2)(NCM,x>0.8).Herein,we have designed LiNi_(0.8)Co_(0.1)Mn 0.1 O_(2)cathodes modified by Nb/Al co-doping and LiNbO_(3)/LiAlO_(2)composite coating.Detailed characterization reveals that Nb/Al co-doping can stabilize the crystal structure of the cathodes and expand the layer spacing of the layered lattice,thereby increasing the diffusion rate and reversibility of Li^(+).And the composite coatings can improve the electrochemical kinetic and inhibit the erosion of acidic substances by hindering direct contact between the cathodes and electrolyte.As a result,the Ni-rich cathodes with dual modification can still exhibit a higher capacity of 184.02 mA·h/g after 100 cycles with a capacity retention of up to 98.1%,and can still release a capacity of 161.6 mA·h/g at a high rate of 7 C,meanwhile,it shows excellent thermal stability compared to bare NCM.This work provides a new perspective for enhancing electrochemical properties of cathodes through integrated strategies.展开更多
LiNixCoyMn_(2)O_(2)(NCM,x≥0.8,x+y+z=1)cathodes have attracted much attention due to their high specific capacity and low cost.However,severe anisotropic volume changes and oxygen evolution induced capacity decay and ...LiNixCoyMn_(2)O_(2)(NCM,x≥0.8,x+y+z=1)cathodes have attracted much attention due to their high specific capacity and low cost.However,severe anisotropic volume changes and oxygen evolution induced capacity decay and insecurity have hindered their commercial application at scale.In order to overcome these challenges,a kind of tantalum(Ta)doped nickel-rich cathode with reduced size and significantly increased number of primary particles is prepared by combining mechanical fusion with high temperature co-calcination.The elaborately designed micro-morphology of small and uniform primary particles effectively eliminates the local strain accumulation caused by the random orientation of primary particles.Moreover,the uniform distribution of small primary particles stabilizes the spherical secondary particles,thus effectively inhibiting the formation and extension of microcracks.In addition,the formed strong Ta-O bonds restrain the release of lattice oxygen,which greatly increases the structural stability and safety of NCM materials.Therefore,the cathode material with the designed primary particle morphology shows superior electrochemical performance.The 1 mol%Ta-modified cathode(defined as1%Ta-NCM)shows a capacity retention of 97.5%after 200 cycles at 1 C and a rate performance of 137.3 mAh g^(-1)at 5 C.This work presents promising approach to improve the structural stability and safety of nickel-rich NCM.展开更多
Constructing silicon(Si)-based composite electrodes that possess high energy density,long cycle life,and fast charging capability simultaneously is critical for the development of high performance lithium-ion batterie...Constructing silicon(Si)-based composite electrodes that possess high energy density,long cycle life,and fast charging capability simultaneously is critical for the development of high performance lithium-ion batteries for mitigating range anxiety and slow charging issues in new energy vehicles.Herein,a thick silicon/carbon composite electrode with vertically aligned channels in the thickness direction(VC-SC)is constructed by employing a bubble formation method.Both experimental characterizations and theoretical simulations confirm that the obtained vertical channel structure can effectively address the problem of sluggish ion transport caused by high tortuosity in conventional thick electrodes,conspicuously enhance reaction kinetics,reduce polarization and side reactions,mitigate stress,increase the utilization of active materials,and promote cycling stability of the thick electrode.Consequently,when paired with LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2)(NCM622),the VC-SC||NCM622 pouch type full cell(~6.0 mAh cm^(-2))exhibits significantly improved rate performance and capacity retention compared with the SC||NCM622 full cell with the conventional silicon/carbon composite electrode without channels(SC)as the anode.The assembled VC-SC||NCM622 pouch full cell with a high energy density of 490.3 Wh kg^(-1)also reveals a remarkable fast charging capability at a high current density of 2.0 mA cm^(-2),with a capacity retention of 72.0%after 500 cycles.展开更多
Sodium-ion batteries have been deemed as a sustainable alternative to lithium-ion systems due to the abundance and affordability of sodium sources.Nevertheless,developing high-energy-density P2-type layered oxide cath...Sodium-ion batteries have been deemed as a sustainable alternative to lithium-ion systems due to the abundance and affordability of sodium sources.Nevertheless,developing high-energy-density P2-type layered oxide cathodes with long-term cycling stability poses challenges,stemming from irreversible phase transitions,structural degradation,and lattice oxygen instability during electrochemical cycling.Here,we propose a one-step NbB_(2)modification strategy that enhances both bulk and surface properties of Na_(0.8)Li_(0.12)Ni_(0.22)Mn_(0.66)O_(2)cathodes.By exploiting different techniques,we disclose that bulk Nb and B doping combined with a Nb-Transition Metal-BO_(3)surface layer reconstruction enable a reversible P2-OP4 phase transition and,meanwhile,improve anionic redox reversibility.In addition,Li^(+)migrates into alkali-metal layers and underpins the layered structure through the“pillar effect”,thereby facilitating the Na^(+)diffusion in Na_(0.8)Li_(0.12)Ni_(0.22)Mn_(0.66)O_(2)cathodes and retaining their structural integrity at high voltage.As a result,the modified cathodes achieve 93.6%capacity retention after 500 cycles at 1C and deliver specific capacities above 114 m A h g^(-1)at 10C within 2.0-4.3 V.Contrary to the previous studies reporting that OP4 phase are detrimental to the structural stability of layered cathodes,we experimentally validate that a well-regulated P2-OP4 phase transition is beneficial for structural and electrochemical stabilities.展开更多
The rapid expansion of the automotive sector has significantly increased the demand for highperformance lithium-ion batteries,positioning Ni-rich layered cathodes as a promising solution due to their high energy densi...The rapid expansion of the automotive sector has significantly increased the demand for highperformance lithium-ion batteries,positioning Ni-rich layered cathodes as a promising solution due to their high energy density and cost-efficiency.However,these cathodes face critical challenges,including thermal instability and structural degradation at an elevated temperature,which hinder their practical application.This study introduces an advanced surface reconstruction strategy combining a LiScF_(4)coating,Sc/F surface co-doping,and a cation-mixing layer to address these issues.The LiScF_(4)coating serves as a durable protective barrier,reducing electrolyte decomposition,minimizing transition metal dissolution,and enhancing lithium-ion transport.Sc/F surface co-doping stabilizes lattice oxygen by increasing the energy barrier for oxygen vacancy formation and minimizing oxygen release,thereby suppressing phase transitions and interfacial side reactions.Additionally,the cation-mixing layer improves interfacial stability by alleviating lattice strain and supporting reversible cation migration,ensuring prolonged durability during cycling and under high-temperature conditions.These integrated modifications work synergistically to mitigate various degradation mechanisms,significantly improving the thermal stability,structural integrity,and electrochemical performance of Ni-rich cathodes.This approach offers a viable pathway for incorporating Ni-rich cathodes into advanced lithium-ion batteries,making them well-suited for applications requiring high thermal stability.Moreover,this research provides valuable guidance for the development of a multi-component modification strategy,paving the way for future innovations in energy storage materials and advancing high-performance battery technology.展开更多
The nonlinear dynamical behaviors of artificial neural network (ANN) and their application to science and engineering were summarized. The mechanism of two kinds of dynamical processes, i.e. weight dynamics and activa...The nonlinear dynamical behaviors of artificial neural network (ANN) and their application to science and engineering were summarized. The mechanism of two kinds of dynamical processes, i.e. weight dynamics and activation dynamics in neural networks, and the stability of computing in structural analysis and design were stated briefly. It was successfully applied to nonlinear neural network to evaluate the stability of underground stope structure in a gold mine. With the application of BP network, it is proven that the neuro-com- puting is a practical and advanced tool for solving large-scale underground rock engineering problems.展开更多
The structures of closo-hedral cluster (HAlNH)12 and endohedral complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr) have been studied by using density functional theory (DFT) at the B3LYP/6-31G(d) level. The geometries, natura...The structures of closo-hedral cluster (HAlNH)12 and endohedral complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr) have been studied by using density functional theory (DFT) at the B3LYP/6-31G(d) level. The geometries, natural bond orbital (NBO), vibrational frequency, energetic parameters, magnetic shielding constants and nucleus independent chemical shifts (NICS) were discussed. The potential surface of vip X shifting from the cage center to a face of six- membered ring was calculated at the same level. The exit transition state was demonstrated with IRC calculations. It is found that X@(HAlNH)12 complexes are dynamically stable, and Ne@(HAlNH)12 is more energetically favorable than the other complexes in thermodynamics.展开更多
This paper brings forward the concept of stability of the spatial structure of urban agglomeration(UA)based on Central Place Theory by introducing centrality index and fractal theory.Before assessment,K=4 is selected ...This paper brings forward the concept of stability of the spatial structure of urban agglomeration(UA)based on Central Place Theory by introducing centrality index and fractal theory.Before assessment,K=4 is selected as parameter to calculate centrality index and fractal dimension(K represents the quantitive relationship between city and the counties in Central Place Theory),and then found the number of nodes,the type of spatial structure,the spatial allocation of nodes with different hierarchy affecting the stability of spatial structure.According to spatial contact direction and the level of stability,UAs in China are classified into five types.Finally,it is posed as a further question that how to use hierarchical relation K=6 and K=7 in central place system to coordinate with the assessment of stability of soatial structure is brought forward.展开更多
We studied relationships between stand structure and stand stability according to thinning intensity in an afforested oriental beech stand. Various thinning intensities were applied in sample stands. We sampled eight ...We studied relationships between stand structure and stand stability according to thinning intensity in an afforested oriental beech stand. Various thinning intensities were applied in sample stands. We sampled eight plots in stands that were lightly thinned, eight plots in heavily thinned stands and eight plots in unthinned stands as a control. Height and diameter distributions of the stands were measured to assess stand structure. We quantified individual tree stability and collective stability. Heavy thinning during the first thinning operation damaged the storied structure of the stand in thicket stage and affected collective structuring ability. While most control plots had multi-storied stands, after light and heavy thinning two-storied structure became more common.Large gaps occurred in the canopy after heavy thinning. On average, nine tree collectives were formed per sampling plot in the untreated stand, seven collectives after thinning in 2008 and four collectives after thinning in 2009. Stable trees accounted for 17 % of trees in control plots, 24 % in lightly thinned plots, and 15 % in heavily thinned plots. Collective stability values were 83 % in control plots, 82 % in lightly thinned plots and 36 % in heavily thinned plots. We conclude that it is necessary to retain collective structuring capacity during thinning operations for sustaining stand stability.展开更多
A new complex Cu2（o-C6H5COC6H5COO）4（C10H8N2）2（H2O）2 with 2-benzoylben- zoic acid and 2,2′-bipyridine as ligands has been synthesized in mixed methanol and water solvent. Crystal data are as follows： monoclinic...A new complex Cu2（o-C6H5COC6H5COO）4（C10H8N2）2（H2O）2 with 2-benzoylben- zoic acid and 2,2′-bipyridine as ligands has been synthesized in mixed methanol and water solvent. Crystal data are as follows： monoclinic, space group Co, a = 14.0133（14）, b = 16.0409（16）, c = 30.372（3） A, β = 100.8950（10）°, V = 6704.1（12） A3, Dc = 1.364 g/cm3, Z = 8,μ（MoKa） = 0.704 mml, F（000） = 2840, the final R= 0.0552 and wR = 0.1431. In the crystal structure, the whole molecule consists of two copper ions, four 2-benzoylbenzoic acid molecules, two 2,2′-bipyridine molecules and two water molecules. Each central copper ion is coordinated with two nitrogen atoms from one 2,2′-bipyridine molecule and three oxygen atoms from two 2-benzoylbenzoic acids and one water molecule, respectively, giving a distorted tetragonal pyramidal geometry. Thermal stability properties of the complex were investigated.展开更多
Using first-principles pseudo-potential plane wave method, the energetics, geometrical and electronic structures of three Al13I cluster isomers were calculated. The calculation results of the binding energy indicate A...Using first-principles pseudo-potential plane wave method, the energetics, geometrical and electronic structures of three Al13I cluster isomers were calculated. The calculation results of the binding energy indicate Al13I cluster is more stable than Al13 cluster although its electrons are not a magic number as in Alia cluster, and among Al13I cluster isomers the ＂Bridge＂ structure is the most stable, the second is the ＂Ontop＂ structure, and the worst is the ＂Hollow＂ structure. By analyzing the geometrical structures of Al13I cluster isomers, it is found that after I atom and Al13 cluster combine the geometrical structures of Al13 moieties are changed besides Al13I Hollow cluster, in which the Alia moiety is still a regular icosahedron. For Al13I Ontop cluster, the Al13 moiety has a shrinking trend to I, whereas in Al13I Bridge cluster it is distorted. Mulliken population analysis shows for the interaction of electrons between Al-I atoms in Al13I cluster not only there exists an ionic bonding but there is a covalent bonding. Part of electrons in the Alia cluster transfer to I as Al13 cluster and I atom combine. The order of the strength of covalent bonding between Al13 moiety and I in Al13I cluster isomers is Al13IBridge〉Al13IHollow〉Al13I Ontop. Further analysis of electric structures of Al13 and Al13I clusters indicates a higher stability of Al13I cluster than Al13 cluster can be attributed to the s-p hybridization of 3s and 3p electrons of Al in Al13 moiety induced by 1 doped, which leads to fewer electrons N（EF） at EF in Al13I and a larger energy gap △EH-L between HOMO and LUMO levels in Al13I cluster. The distinguish of structural stability of Al13I cluster isomers mainly originates from their different magnitudes .in decrease of N（EF） and increase of △EH-L relative to Al13 cluster. The fewest N（EF） and the largest △EH-L are responsible for the high stability of Al13I Bridge cluster.展开更多
基金financially supported by the Natural Science Foundation of Shandong Province(ZR2022QB166,ZR2020KE032)the Strategic Priority Research Program of the Chinese Academy of Sciences(XDA22010600)+3 种基金the Youth Innovation Promotion Association of CAS(2021210)the Foundation of Qingdao Postdoctoral Application Program(Y63302190F)the Natural Science Foundation of Qingdao Institute ofBioenergy and Bioprocess Technology(QIBEBT SZ202101)support from the Max Planck-POSTECH-Hsinchu Center for Complex Phase Materials
文摘Full concentration gradient lithium-rich layered oxides are catching lots of interest as the next generation cathode for lithium-ion batteries due to their high discharge voltage,reduced voltage decay and enhanced rate performance,whereas the high lithium residues on its surface impairs the structure stability and long-term cycle performance.Herein,a facile multifunctional surface modification method is implemented to eliminate surface lithium residues of full concentration gradient lithium-rich layered oxides by a wet chemistry reaction with tetrabutyl titanate and the post-annealing process.It realizes not only a stable Li_(2)TiO_(3)coating layer with 3D diffusion channels for fast Li^(+)ions transfer,but also dopes partial Ti^(4+)ions into the sub-surface region of full concentration gradient lithium-rich layered oxides to further strengthen its crystal structure.Consequently,the modified full concentration gradient lithium-rich layered oxides exhibit improved structure stability,elevated thermal stability with decomposition temperature from 289.57℃to 321.72℃,and enhanced cycle performance(205.1 mAh g^(-1)after 150 cycles)with slowed voltage drop(1.67 mV per cycle).This work proposes a facile and integrated modification method to enhance the comprehensive performance of full concentration gradient lithium-rich layered oxides,which can facilitate its practical application for developing higher energy density lithium-ion batteries.
基金Project (HEUCFR1128) supported by the Fundamental Research Funds for the Central Universities,ChinaProject (2010AA4BE031)supported by the Key Project of Science and Technology of Harbin City,China+1 种基金Projects (20100471015,20100471046) supported by the China Postdoctoral Science FoundationProject (LBH-Z09217) supported by the Heilongjiang Postdoctorial Fund,China
文摘With the aim to further improve the mechanical properties of Mg-A1-RE-based alloy, Mg-3.0Al-1.8Ce-0.3Y-0.2Mn alloy was prepared by high-pressure die-casting technique. The microstructure, thermal stability of intermetallic phases and mechanical properties were investigated. The results show that the alloy is composed of fine primary a-Mg dendrites and eutectic in the interdendritic regions. The intermetallic phases in eutectic are Aln（Ce,Y）3 and A12（Ce,Y） with the former being the dominant one. The thermal stability of Al11（ce,Y）3 is conditioned. It is basically stable at temperature up to 200℃ within 800 h, while most of the Al11（Ce,Y）3 intermetallics transform to A12（Ce,Y） at higher temperature of 450 ℃ for 800 h. The alloy exhibits remarkably improved strength both at room temperature and 200℃, which is mainly attributed to the reinforcement of dendrite boundaries with Alll（Ce,Y）3 intermetallics, small dendritic arm spacing effect as well as the solid solution strengthening with Y element.
文摘The precipitation behavior in Inconel 718 and modified alloys has been studied by means of TEM.The structure of associated precipitation and compact morphology of γ″+γ′ were ob- tained by modifying the contents of Al,Ti and Nb.Experimental results show that the com- pact morphology of γ″+γ′ has the best structure stability at higher temperatures.Instead of the transformation γ″→δ in alloy 718 the dissolution of strengthening phases in modified alloy leads material degradation.
基金supported by the National Natural Science Foundation of China under Grant No.10671124
文摘In this paper, we investigate a class of mixed initial-boundary value problems for a kind of n × n quasilinear hyperbolic systems of conservation laws on the quarter plan. We show that the structure of the pieeewise C^1 solution u = u（t, x） of the problem, which can be regarded as a perturbation of the corresponding Riemann problem, is globally similar to that of the solution u = U（x/t） of the corresponding Riemann problem. The piecewise C^1 solution u = u（t, x） to this kind of problems is globally structure-stable if and only if it contains only non-degenerate shocks and contact discontinuities, but no rarefaction waves and other weak discontinuities.
基金supported by the National Natural Science Foundation of China(No.11101001)the Anhui Provincial University's Excellent Youth Scholars Foundation(No.2010SQRL025)the Anhui Provincial University's Natural Science Foundation(No.KJ2010A130)
文摘The global structure stability of the impact-induced tensile waves mentioned by Huang （Huang, S. J. Impact-induced tensile waves in a kind of phase-transforming materials. IMA Journal of Applied Mathematics, 76, 847-858 （2011）） is considered. By introducing Riemann invariants, the governing equations of motion are reduced into a 2 ~ 2 diagonally strictly hyperbolic system. Then, with the aid of the theory on the typical free boundary problem and maximally dissipative kinetics, the global structure stability of the impact-induced tensile waves propagating in a phase-transforming material is proved.
基金the National Natural Science Foundation of China （No. 50401010） Talent Foundation of Jiangsu University （No.05JDG010）.
文摘The structures of Ag clusters with sizes n=13 to 1157 are studied by tight binding molecular dynamics simulation. It is found that the stable structures of Ag clusters follow the sequence amorphous-crystalline-amorphous-crystalline with the cluster size increasing from 13 to 1157. Furthermore, all the shells of Ag clusters are different from the structure of the corresponding bulk Ag.
基金Funded by the National Natural Science Foundation of China(No.51604087)the Science and Technology Program of Guangdong Province of China(No.2016A010104019)the Science and Technology Program of Guangzhou City of China(No.201607010001)
文摘Alpha nickel hydroxide has better performances than commercial beta nickel hydroxide. However, the main defect is that α-phase is difficult to synthesize and easily transformed to β-phase Ni（OH）2 upon aging in a strong alkaline solution. In this study, the Al-Co, Al-Yb, Yb-Co and Al-Yb-Co multiple doping was used respectively. By controlling the amount of sodium carbonate, the α-Ni（OH）2 was prepared by ultrasonic-assisted precipitation. And the influence of sodium carbonate on the crystalline phase and structure stability for alpha nickel hydroxide was studied. The results demonstrate that, with increasing amount, the biphase nickel hydroxide transforms to pure alpha nickel hydroxide gradually, and the structure stability is also improved. When the amount of sodium carbonate is 2 g, the sample still keeps α-Ni（OH）2 after being aged for 30 days, for Al-Yb-Co-Ni（OH）2. And when the amount is less than 2 g, the phase transformations exist in the samples with different extents. These results demonstrated that the amount of sodium carbonate is a critical factor to maintain the structural stability of α-Ni（OH）2.
基金supported by the National Natural Science Foundation of China(No.51602193)ClassⅢPeak Discipline of Shanghai-Materials Science and Engineering(High-Energy Beam Intelligent Processing and Green Manufacturing)UK Research and Innovation(UKRI)under the UK government’s Horizon Europe funding guarantee(No.101077226,EP/Y008707/1)
文摘NH_(4)V_(4)O_(10)(NVO)as a cathode material of zincion battery is prone to collapse in the repeated process of embedding and de-embedding of Zn^(2+),and its application is limited by the instability of the material.Here,calciumdoped ammonium vanadate(CNVO)is successfully synthesized via a one-step hydrothermal approach.The intercalated Ca2+in NVO serves as a firm pillar between the[VO_n]layers to maintain the structure stability during the ion insertion/extraction process.Furthermore,density functional theory(DFT)calculations and ex situ experiments reveal that CNVO demonstrates higher affinity and conductivity compared to NVO,which can effectively improve the kinetics of Zn^(2+)diffusion,reduce the electrostatic repulsion of Zn^(2+)during intercalation and deintercalation,and maintaining the stability of the layered structure.As a result,the CNVO material demonstrates outstanding electrochemical performance,delivering a specific capacity of 183 m Ah·g^(-1)at 5 A·g^(-1).Moreover,it sustains an impressive 91%capacity retention after 1300 cycles.
基金financial support provided by the National Natural Science Foundation of China(Nos.52574126and 52574144)the Xinjiang Uygur Autonomous Region Key R&D Project Task Special-Department and Department Linkage Project(No.2022B01051)+4 种基金the Major Project of Regional Joint Foundation of China(No.U21A20107)the Xinjiang Uygur Autonomous Region Tianchi Introduction Plan(No.2024XGYTCYC03)the Scientific Research Fund of Hunan Provincial Education Department(No.24A0359)the Urumqi City Hongshan Sci-Tech Innvoation Elite Talents Youth Top Talents Program(No.B241013004)the National Key Research and Development Program Young Scientists Project(No.2024YFC2910600)。
文摘Gob-side entry retaining(GER)is widely applied in China.Nevertheless,the stability mechanism of the GER with coal pilla r-backfill body(CPBB)under dynamic overburden load remains unexplored.A voussoir beam structure(VBS)model is established to analyze roof structure stability during panel advancement,introducing a VBS stability criterion.Reducing block B length l and immediate roof damage variable D,and increasing coal pillar widthχ_(c).lowers the GER structure instability risk.Reducing l and the GER width w leads to a CPBB system stability upswing.A UDEC model was established to systematically reveal how the l,backfill body width x_(b),and strength affect the stability and coupling performance of the CPPB system by monitoring the crack damage D_(C).Simulation results indicate that at l=14 m,χ_(b)=2.0 m,watercement ratio 1.5:1,the coal pillar and backfill body have similar D_(C)but maintain stability,resulting in CPPB system coupling degree K,better.A novel GER method supported by the CPBB was implemented on-site.Monitoring results indicated that the coal pillar peak stresses were 19.17 MPa(ahead),16.14 MPa(behind),and the backfill body peak stress was 12.27 MPa(maximum).The floor heave was380 mm,with a 103 mm backfill body rib.
基金Project(2023JJ40759)supported by the Natural Science Foundation of Hunan Province,China。
文摘The irreversible phase transition and interface side reactions during the cycling process severely limit the large scale application of nickel-rich layered oxides Li[Ni_(x)Co_(y)Mn_(1−x−y)]O_(2)(NCM,x>0.8).Herein,we have designed LiNi_(0.8)Co_(0.1)Mn 0.1 O_(2)cathodes modified by Nb/Al co-doping and LiNbO_(3)/LiAlO_(2)composite coating.Detailed characterization reveals that Nb/Al co-doping can stabilize the crystal structure of the cathodes and expand the layer spacing of the layered lattice,thereby increasing the diffusion rate and reversibility of Li^(+).And the composite coatings can improve the electrochemical kinetic and inhibit the erosion of acidic substances by hindering direct contact between the cathodes and electrolyte.As a result,the Ni-rich cathodes with dual modification can still exhibit a higher capacity of 184.02 mA·h/g after 100 cycles with a capacity retention of up to 98.1%,and can still release a capacity of 161.6 mA·h/g at a high rate of 7 C,meanwhile,it shows excellent thermal stability compared to bare NCM.This work provides a new perspective for enhancing electrochemical properties of cathodes through integrated strategies.
基金financial support provided by the National Natural Science Foundation of China(52271201)the Science and Technology Department of Sichuan Province(2025NSFTD0005,2022YFG0100,2022ZYD0045)。
文摘LiNixCoyMn_(2)O_(2)(NCM,x≥0.8,x+y+z=1)cathodes have attracted much attention due to their high specific capacity and low cost.However,severe anisotropic volume changes and oxygen evolution induced capacity decay and insecurity have hindered their commercial application at scale.In order to overcome these challenges,a kind of tantalum(Ta)doped nickel-rich cathode with reduced size and significantly increased number of primary particles is prepared by combining mechanical fusion with high temperature co-calcination.The elaborately designed micro-morphology of small and uniform primary particles effectively eliminates the local strain accumulation caused by the random orientation of primary particles.Moreover,the uniform distribution of small primary particles stabilizes the spherical secondary particles,thus effectively inhibiting the formation and extension of microcracks.In addition,the formed strong Ta-O bonds restrain the release of lattice oxygen,which greatly increases the structural stability and safety of NCM materials.Therefore,the cathode material with the designed primary particle morphology shows superior electrochemical performance.The 1 mol%Ta-modified cathode(defined as1%Ta-NCM)shows a capacity retention of 97.5%after 200 cycles at 1 C and a rate performance of 137.3 mAh g^(-1)at 5 C.This work presents promising approach to improve the structural stability and safety of nickel-rich NCM.
基金National Key R&D Program of China,Grant/Award Number:2023YFB2503900National Natural Science Foundation of China,Grant/Award Number:12172143Shenzhen Science and Technology Program,Grant/Award Numbers:JCYJ20220818100418040,JCYJ20220530160816038。
文摘Constructing silicon(Si)-based composite electrodes that possess high energy density,long cycle life,and fast charging capability simultaneously is critical for the development of high performance lithium-ion batteries for mitigating range anxiety and slow charging issues in new energy vehicles.Herein,a thick silicon/carbon composite electrode with vertically aligned channels in the thickness direction(VC-SC)is constructed by employing a bubble formation method.Both experimental characterizations and theoretical simulations confirm that the obtained vertical channel structure can effectively address the problem of sluggish ion transport caused by high tortuosity in conventional thick electrodes,conspicuously enhance reaction kinetics,reduce polarization and side reactions,mitigate stress,increase the utilization of active materials,and promote cycling stability of the thick electrode.Consequently,when paired with LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2)(NCM622),the VC-SC||NCM622 pouch type full cell(~6.0 mAh cm^(-2))exhibits significantly improved rate performance and capacity retention compared with the SC||NCM622 full cell with the conventional silicon/carbon composite electrode without channels(SC)as the anode.The assembled VC-SC||NCM622 pouch full cell with a high energy density of 490.3 Wh kg^(-1)also reveals a remarkable fast charging capability at a high current density of 2.0 mA cm^(-2),with a capacity retention of 72.0%after 500 cycles.
基金financially supported by the National Key R&D Program of China(2020YFA0406203)National Natural Science Foundation of China(92472115,52371225 and 52072008)+5 种基金Guangdong Basic and Applied Basic Research Foundation(2022B1515120070,2022A1515110816 and 2022A1515110596)the Large Scientific Facility Open Subject of Songshan Lake,Dongguan,Guangdong(KFKT2022A04)Jialin Xie Fund(E4546IU2)the open research fund of Songshan Lake Materials Laboratory(2023SLABFN02)The Major Science and Technology Infrastructure Project of Material Genome Big-science Facilities Platform supported by the Municipal Development and Reform Commission of Shenzhen also contributed to this researchthe allocation of beamtime at BL15U and BL02B02 beamlines at SSRF。
文摘Sodium-ion batteries have been deemed as a sustainable alternative to lithium-ion systems due to the abundance and affordability of sodium sources.Nevertheless,developing high-energy-density P2-type layered oxide cathodes with long-term cycling stability poses challenges,stemming from irreversible phase transitions,structural degradation,and lattice oxygen instability during electrochemical cycling.Here,we propose a one-step NbB_(2)modification strategy that enhances both bulk and surface properties of Na_(0.8)Li_(0.12)Ni_(0.22)Mn_(0.66)O_(2)cathodes.By exploiting different techniques,we disclose that bulk Nb and B doping combined with a Nb-Transition Metal-BO_(3)surface layer reconstruction enable a reversible P2-OP4 phase transition and,meanwhile,improve anionic redox reversibility.In addition,Li^(+)migrates into alkali-metal layers and underpins the layered structure through the“pillar effect”,thereby facilitating the Na^(+)diffusion in Na_(0.8)Li_(0.12)Ni_(0.22)Mn_(0.66)O_(2)cathodes and retaining their structural integrity at high voltage.As a result,the modified cathodes achieve 93.6%capacity retention after 500 cycles at 1C and deliver specific capacities above 114 m A h g^(-1)at 10C within 2.0-4.3 V.Contrary to the previous studies reporting that OP4 phase are detrimental to the structural stability of layered cathodes,we experimentally validate that a well-regulated P2-OP4 phase transition is beneficial for structural and electrochemical stabilities.
基金supported by the National Natural Science Foundation of China(22179008)support from the Beijing Nova Program(20230484241)+1 种基金support from the China Postdoctoral Science Foundation(2024M754084)the Postdoctoral Fellowship Program of CPSF(GZB20230931)。
文摘The rapid expansion of the automotive sector has significantly increased the demand for highperformance lithium-ion batteries,positioning Ni-rich layered cathodes as a promising solution due to their high energy density and cost-efficiency.However,these cathodes face critical challenges,including thermal instability and structural degradation at an elevated temperature,which hinder their practical application.This study introduces an advanced surface reconstruction strategy combining a LiScF_(4)coating,Sc/F surface co-doping,and a cation-mixing layer to address these issues.The LiScF_(4)coating serves as a durable protective barrier,reducing electrolyte decomposition,minimizing transition metal dissolution,and enhancing lithium-ion transport.Sc/F surface co-doping stabilizes lattice oxygen by increasing the energy barrier for oxygen vacancy formation and minimizing oxygen release,thereby suppressing phase transitions and interfacial side reactions.Additionally,the cation-mixing layer improves interfacial stability by alleviating lattice strain and supporting reversible cation migration,ensuring prolonged durability during cycling and under high-temperature conditions.These integrated modifications work synergistically to mitigate various degradation mechanisms,significantly improving the thermal stability,structural integrity,and electrochemical performance of Ni-rich cathodes.This approach offers a viable pathway for incorporating Ni-rich cathodes into advanced lithium-ion batteries,making them well-suited for applications requiring high thermal stability.Moreover,this research provides valuable guidance for the development of a multi-component modification strategy,paving the way for future innovations in energy storage materials and advancing high-performance battery technology.
基金This work was financially supported by the Key Project for National Science of "9.5" (Reward Ⅱ for National Science and Technol
文摘The nonlinear dynamical behaviors of artificial neural network (ANN) and their application to science and engineering were summarized. The mechanism of two kinds of dynamical processes, i.e. weight dynamics and activation dynamics in neural networks, and the stability of computing in structural analysis and design were stated briefly. It was successfully applied to nonlinear neural network to evaluate the stability of underground stope structure in a gold mine. With the application of BP network, it is proven that the neuro-com- puting is a practical and advanced tool for solving large-scale underground rock engineering problems.
基金This work was supported by the National Natural Science Foundation of China (No. 20341005), Natural Science Foundation of Shanxi Province (No. 20011015) and the Foundation for University Key Teachers by the Ministry of Education
文摘The structures of closo-hedral cluster (HAlNH)12 and endohedral complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr) have been studied by using density functional theory (DFT) at the B3LYP/6-31G(d) level. The geometries, natural bond orbital (NBO), vibrational frequency, energetic parameters, magnetic shielding constants and nucleus independent chemical shifts (NICS) were discussed. The potential surface of vip X shifting from the cage center to a face of six- membered ring was calculated at the same level. The exit transition state was demonstrated with IRC calculations. It is found that X@(HAlNH)12 complexes are dynamically stable, and Ne@(HAlNH)12 is more energetically favorable than the other complexes in thermodynamics.
基金Under the auspices of the National Natural Science Foundation of China(No.40335049,40471059)
文摘This paper brings forward the concept of stability of the spatial structure of urban agglomeration(UA)based on Central Place Theory by introducing centrality index and fractal theory.Before assessment,K=4 is selected as parameter to calculate centrality index and fractal dimension(K represents the quantitive relationship between city and the counties in Central Place Theory),and then found the number of nodes,the type of spatial structure,the spatial allocation of nodes with different hierarchy affecting the stability of spatial structure.According to spatial contact direction and the level of stability,UAs in China are classified into five types.Finally,it is posed as a further question that how to use hierarchical relation K=6 and K=7 in central place system to coordinate with the assessment of stability of soatial structure is brought forward.
基金supported by Karadeniz Technical University Research Fund,Project number 2010.113.001.11
文摘We studied relationships between stand structure and stand stability according to thinning intensity in an afforested oriental beech stand. Various thinning intensities were applied in sample stands. We sampled eight plots in stands that were lightly thinned, eight plots in heavily thinned stands and eight plots in unthinned stands as a control. Height and diameter distributions of the stands were measured to assess stand structure. We quantified individual tree stability and collective stability. Heavy thinning during the first thinning operation damaged the storied structure of the stand in thicket stage and affected collective structuring ability. While most control plots had multi-storied stands, after light and heavy thinning two-storied structure became more common.Large gaps occurred in the canopy after heavy thinning. On average, nine tree collectives were formed per sampling plot in the untreated stand, seven collectives after thinning in 2008 and four collectives after thinning in 2009. Stable trees accounted for 17 % of trees in control plots, 24 % in lightly thinned plots, and 15 % in heavily thinned plots. Collective stability values were 83 % in control plots, 82 % in lightly thinned plots and 36 % in heavily thinned plots. We conclude that it is necessary to retain collective structuring capacity during thinning operations for sustaining stand stability.
基金Supported by the Natural Science Foundation of Hunan Province (No. 11JJ9006)Key Project of Science and Technology Plan of Hunan Province (2012FJ2002)+1 种基金Science and Technology Plan of Hunan Province (2012GK3031, 2012WK3029)the Construct Program of Key Discipline in Hunan Province
文摘A new complex Cu2（o-C6H5COC6H5COO）4（C10H8N2）2（H2O）2 with 2-benzoylben- zoic acid and 2,2′-bipyridine as ligands has been synthesized in mixed methanol and water solvent. Crystal data are as follows： monoclinic, space group Co, a = 14.0133（14）, b = 16.0409（16）, c = 30.372（3） A, β = 100.8950（10）°, V = 6704.1（12） A3, Dc = 1.364 g/cm3, Z = 8,μ（MoKa） = 0.704 mml, F（000） = 2840, the final R= 0.0552 and wR = 0.1431. In the crystal structure, the whole molecule consists of two copper ions, four 2-benzoylbenzoic acid molecules, two 2,2′-bipyridine molecules and two water molecules. Each central copper ion is coordinated with two nitrogen atoms from one 2,2′-bipyridine molecule and three oxygen atoms from two 2-benzoylbenzoic acids and one water molecule, respectively, giving a distorted tetragonal pyramidal geometry. Thermal stability properties of the complex were investigated.
基金This work was supported by the Science & Technology Major Programs of Ministry of Education of China (No. 101139)
文摘Using first-principles pseudo-potential plane wave method, the energetics, geometrical and electronic structures of three Al13I cluster isomers were calculated. The calculation results of the binding energy indicate Al13I cluster is more stable than Al13 cluster although its electrons are not a magic number as in Alia cluster, and among Al13I cluster isomers the ＂Bridge＂ structure is the most stable, the second is the ＂Ontop＂ structure, and the worst is the ＂Hollow＂ structure. By analyzing the geometrical structures of Al13I cluster isomers, it is found that after I atom and Al13 cluster combine the geometrical structures of Al13 moieties are changed besides Al13I Hollow cluster, in which the Alia moiety is still a regular icosahedron. For Al13I Ontop cluster, the Al13 moiety has a shrinking trend to I, whereas in Al13I Bridge cluster it is distorted. Mulliken population analysis shows for the interaction of electrons between Al-I atoms in Al13I cluster not only there exists an ionic bonding but there is a covalent bonding. Part of electrons in the Alia cluster transfer to I as Al13 cluster and I atom combine. The order of the strength of covalent bonding between Al13 moiety and I in Al13I cluster isomers is Al13IBridge〉Al13IHollow〉Al13I Ontop. Further analysis of electric structures of Al13 and Al13I clusters indicates a higher stability of Al13I cluster than Al13 cluster can be attributed to the s-p hybridization of 3s and 3p electrons of Al in Al13 moiety induced by 1 doped, which leads to fewer electrons N（EF） at EF in Al13I and a larger energy gap △EH-L between HOMO and LUMO levels in Al13I cluster. The distinguish of structural stability of Al13I cluster isomers mainly originates from their different magnitudes .in decrease of N（EF） and increase of △EH-L relative to Al13 cluster. The fewest N（EF） and the largest △EH-L are responsible for the high stability of Al13I Bridge cluster.
