A Facile Li_(2)TiO_(3) Surface Modification to Improve the Structure Stability and Electrochemical Performance of Full Concentration Gradient Li-Rich Oxides

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.

Structure stability and mechanical properties of high-pressure die-cast Mg-Al-Ce-Y-based alloy

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.

INFLUENCE OF ASSOCIATED AND SEPARATE PRECIPITATION OF γ″ AND γ′ ON STRUCTURE STABILITY IN INCONEL718 AND MODIFIED ALLOYS

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.

Global Structure Stability of Riemann Solution of Quasilinear Hyperbolic System of Conservation Law in Presence of Boundary:Shocks and Contact Discontinuities

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.

Global structure stability of impact-induced tensile waves in phase-transforming materials

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.

MOLECULAR DYNAMICS SIMULATION OF STRUCTURE STABILITY OF SILVER NANOCLUSTERS

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.

Influence of Sodium Carbonate Amount on Crystalline Phase and Structure Stability for Doping Nickel Hydroxide

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.

Evaluation on Stability of Stope Structure Based on Nonlinear Dynamics of Coupling Artificial Neural Network

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.

Structure and Stability of Endohedral Complexes X@(HAlNH)_(12) (X = He, Ne, Ar, Kr)

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 guest 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.

Stability of Spatial Structure of Urban Agglomeration in China Based on Central Place Theory

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.

Synthesis, Crystal Structure and Thermal Stability of a New Binuclear Cu(Ⅱ) Complex with 2-Benzoylbenzoic Acid as the Ligand

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.

A First-principles Calculation of Structures and Stability of Al_(13)I Cluster

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.

Effects of thinning on stand structure and tree stability in an afforested oriental beech(Fagus orientalis Lipsky) stand in northeast Turkey

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.

ANALYSIS OF DYNAMIC STABILITY OF SUBMERGED STRUCTURE

The submerged structure is basically a large three-dimensional structure of few statically redundant members. The structure is subjected to vertical dead and live loads in addition to the wave forces. An analysis of dynamic stability of the submerged structure without damping has been made by J. Thomas and Abbas (1980). In this paper the analyses of dynamic stability of the sumberged structure with damping are conducted. The case structure with damping is more complicated 'than the case without it. According to the principle of perturbation, a new model for dynamic stability calculation in consideration of damping effect is developed. In this paper, the formulas are deduced, the computational program is compiled, the practical examples are analysed, and this problem is solved very satisfactorily. The computational results show that the shape and value of the regions of dynamic instability can be changed significantly by damping. So only by considering damping can the property of dynamic stability of the submerged structure be reflected correctly.

Influence of flange location on axial deformation stability of double-hat structure

A new structural configuration with better impact stability for increasing energy absorbing efficiency is found. Based on finite element analysis, deformation modes of double-hat structure under axial impact loading are categorized to find the main reasons that affect deformation stability. It is revealed that, in a double-hat structure, the location of the flanges is highly related to the deform- ation mode and energy absorbing efficiency. Moving the flanges away from their traditional mid-loca- tion may result in more regular and stable deformation mode and achieve higher energy absorbing ef- ficiency. The flange offset value needs to be controlled within a certain range, otherwise, the doub- le-hat structure would tend to deform like a top-hat structure and the energy absorbing efficiency could be compromised. These findings and analyses lead to a new structural design configuration- asymmetric flange locations--for enhancing the deformation mode stability in double-hat structures.

Structure and Stability of TiC/γ Interface inFe-Cr-Ni Base Composite

The morphology. orientation relationship and stability of TiC/γ interface in Fe-Cr-Ni base composite synthesized with a liquid state in-situ process have been studied. The TiC/γ interface in as-cast sample is of coherent feature. Its orientation relationship is (020)γ／／(220)TiC, [001]γ||[001]TiC. During the aging at 1473 K, the TiC/γ interface may dissolve in matrix and lamellar M23C6 compound may precipitate from γ-matrix.

Theoretical insights into thermal transport and structural stability mechanisms of triaxial compressed methane hydrate

The heat transfer and stability of methane hydrate in reservoirs have a direct impact on the drilling and production efficiency of hydrate resources,especially in complex stress environments caused by formation subsidence.In this study,we investigated the thermal transport and structural stability of methane hydrate under triaxial compression using molecular dynamics simulations.The results suggest that the thermal conductivity of methane hydrate increases with increasing compression strain.Two phonon transport mechanisms were identified as factors enhancing thermal conductivity.At low compressive strains,a low-frequency phonon transport channel was established due to the overlap of phonon vibration peaks between methane and water molecules.At high compressive strains,the filling of larger phonon bandgaps facilitated the opening of more phonon transport channels.Additionally,we found that a strain of0.04 is a watershed point,where methane hydrate transitions from stable to unstable.Furthermore,a strain of0.06 marks the threshold at which the diffusion capacities of methane and water molecules are at their peaks.At a higher strain of0.08,the increased volume compression reduces the available space,limiting the diffusion ability of water and methane molecules within the hydrate.The synergistic effect of the strong diffusion ability and high probability of collision between atoms increases the thermal conductivity of hydrates during the unstable period compared to the stable period.Our findings offer valuable theoretical insights into the thermal conductivity and stability of methane hydrates in reservoir stress environments.

Modification strategies improving the electrochemical and structural stability of high-Ni cathode materials

With the increasing spotlight in electric vehicles,there is a growing demand for high-energy-density batteries to enhance driving range.Consequently,several studies have been conducted on high-energy-density LiNi_(x)Co_(y)Mn_(z)O_(2)cathodes.However,there is a limit to permanent performance deterioration because of side reactions caused by moisture in the atmosphere and continuous microcracks during cycling as the Ni content to express high energy increases and the content of Mn and Co that maintain structural and electrochemical stabilization decreases.The direct modification of the surface and bulk regions aims to enhance the capacity and long-term performance of high-Ni cathode materials.Therefore,an efficient modification requires a study based on a thorough understanding of the degradation mechanisms in the surface and bulk region.In this review,a comprehensive analysis of various modifications,including doping,coating,concentration gradient,and single crystals,is conducted to solve degradation issues along with an analysis of the overall degradation mechanism occurring in high-Ni cathode materials.It also summarizes recent research developments related to the following modifications,aims to provide notable points and directions for post-studies,and provides valuable references for the commercialization of stable high-energy-density cathode materials.

Theoretical insights into the structures and fundamental properties of pnictogen nitrides

Recent experimental advancements reported a chemical reaction between antimony and nitrogen under high temperature and high pressure,yielding crystalline antimony nitride(Sb_(3)N_(5))with an orthorhombic structure.Motivated by this statement,we calculate the stability,elastic properties,electronic properties and energy density of the Cmc2_(1) structure for pnictogen nitrides X_(3)N_(5)(X=P,As,Sb,and Bi)using first-principles calculations combined with particle swarm optimization algorithms.Calculations of formation enthalpies,elastic constants and phonon spectra show that P_(3)N_(5),As_(3)N_(5) and Sb_(3)N_(5) are thermodynamically,mechanically and kinetically stable at 35 GPa,whereas Bi_(3)N_(5) is mechanically and kinetically stable but thermodynamically unstable.The computed electronic density of states shows strong covalent bonding between the N atoms and the phosphorus group atoms in the four compounds,confirmed by the calculated electronic localization function.We also calculate the energy densities for Sb_(3)N_(5) and find it to be a potentially high-energy-density material.

Enhancing Na^(+) diffusion dynamics and structural stability of O3-NaMn_(0.5)Ni_(0.5)O_(2)cathode by Sc and Zn dual-substitution

Sc and Zn were introduced into O3-NaMn_(0.5)Ni_(0.5)O_(2)(NaMN)using the combination of solution combustion and solid-state method.The effect of Sc and Zn dual-substitution on Na^(+) diffusion dynamics and structural stability of NaMN was investigated.The physicochemical characterizations suggest that the introduction of Sc and Zn broaden Na^(+) diffusion channels and weaken the Na—O bonds,thereby facilitating the diffusion of sodium ions.Simulations indicate that the Sc and Zn dual-substitution decreases the diffusion barrier of Na-ions and improves the conductivity of the material.The dual-substituted NaMn_(0.5)Ni_(0.4)Sc_(0.04)Zn_(0.04)O_(2)(Na MNSZ44)cathode delivers impressive cycle stability with capacity retention of 71.2%after 200 cycles at 1C and 54.8%after 400 cycles at 5C.Additionally,the full cell paired with hard carbon anode exhibits a remarkable long-term cycling stability,showing capacity retention of 64.1%after 250 cycles at 1C.These results demonstrate that Sc and Zn dual-substitution is an effective strategy to improve the Na^(+) diffusion dynamics and structural stability of NaMN.