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
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
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 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.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
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
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 d...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.展开更多
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 a...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.展开更多
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 coh...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.展开更多
Because of urbanization,land resources in China’s cities has become increasingly scarce.Therefore,modern buildings are becoming taller,making high-rise steel frame structures the new favorite of the construction indu...Because of urbanization,land resources in China’s cities has become increasingly scarce.Therefore,modern buildings are becoming taller,making high-rise steel frame structures the new favorite of the construction industry.However,the construction of high-rise steel frame structures requires advanced technology.If the construction technology is effectively implemented and the welding techniques of the construction personnel align with the requirements for high-rise steel frame structures,it can help mitigate deformations in the steel structure,thus preserving the overall construction quality of high-rise steel frame structures.To enhance the applicability of steel frame structures in high-rise buildings,this paper focuses on analyzing the optimization path for the construction process of high-rise steel frame structures.It introduces a tailored approach to control welding-induced deformations in steel frame structures,aiming to make a valuable contribution to the advancement of China’s construction industry.展开更多
Co-free Li-rich layered oxide cathodes have drawn much attention owing to their low cost and high energy density.Nevertheless,anion oxidation of oxygen leads to oxygen peroxidation during the first charging process,wh...Co-free Li-rich layered oxide cathodes have drawn much attention owing to their low cost and high energy density.Nevertheless,anion oxidation of oxygen leads to oxygen peroxidation during the first charging process,which leads to co-migration of transition metal ions and oxygen vacancies,causing structural instability.In this work,we propose a pre-activation strategy driven by chemical impregnation to modulate the chemical state of surface lattice oxygen,thus regulating the structural and electrochemical properties of the cathodes.In-situ X-ray diffraction confirms that materials based on activated oxygen configuration have higher structural stability.More importantly,this novel efficient strategy endows the cathodes having a lower surface charge transfer barrier and higher Li+transfer kinetics characteristic and ameliorates its inherent issues.The optimized cathode exhibits excellent electrochemical performance:after 300 cycles,high capacity(from 238 m Ah g^(-1)to 193 m Ah g^(-1)at 1 C)and low voltage attenuation(168 mV)are obtained.Overall,this modulated surface lattice oxygen strategy improves the electrochemical activity and structural stability,providing an innovative idea to obtain high-capacity Co-free Li-rich cathodes for next-generation Li-ion batteries.展开更多
The strict definition and logical description of the concept of structure stability and failure are presented. The criterion of structure stability is developed based on plastic complementary energy and its variation....The strict definition and logical description of the concept of structure stability and failure are presented. The criterion of structure stability is developed based on plastic complementary energy and its variation. It is presented that the principle of minimum plastic complementary energy is the combination of structure equilibrium, coordination condition of deformation and constitutive relationship. Based on the above arguments, the deformation reinforcement theory is developed. The structure global stability can be described by the relationship between the global degree of safety of structure and the plastic complementary energy. Correspondingly, the new idea is used in the evaluations of global stability, anchorage force of dam-toe, fracture of dam-heel and treatment of faults of high arch dams in China. The results show that the deformation reinforcement theory provides a uniform and practical theoretical framework and a valuable solution for the analysis of global stability, dam-heel cracking, dam-toe anchorage and reinforcement of faults of high arch dams and their foundations.展开更多
Layered-type transition metal(TM)oxides are considered as one of the most promising cathodes for K-ion batteries because of the large theoretical gravimetric capacity by low molar mass.However,they suffer from severe ...Layered-type transition metal(TM)oxides are considered as one of the most promising cathodes for K-ion batteries because of the large theoretical gravimetric capacity by low molar mass.However,they suffer from severe structural change by de/intercalation and diffusion of K^(+)ions with large ionic size,which results in not only much lower reversible capacity than the theoretical capacity but also poor power capability.Thus,it is important to enhance the structural stability of the layered-type TM oxides for outstanding electrochemical behaviors under the K-ion battery system.Herein,it is investigated that the substitution of the appropriate Ti^(4+)contents enables a highly enlarged reversible capacity of P3-type KxCrO_(2) using combined studies of first-principles calculation and various experiments.Whereas the pristine P3-type KxCrO_(2) just exhibits the reversible capacity of∼120 mAh g^(−1) in the voltage range of 1.5-4.0 V(vs.K^(+)/K),the∼0.61 mol K^(+)corresponding to∼150 mAh g^(−1) can be reversible de/intercalated at the structure of P3-type K0.71[Cr_(0.75)Ti_(0.25)]O_(2) under the same conditions.Furthermore,even at the high current density of 788 mA g^(−1),the specific capacity of P3-type K0.71[Cr_(0.75)Ti_(0.25)]O_(2) is∼120 mAh g^(−1),which is∼81 times larger than that of the pristine P3-type KxCrO_(2).It is believed that this research can provide an effective strategy to improve the electrochemical performances of the cathode materials suffered by severe structural change that occurred during charge/discharge under not only K-ion battery system but also other rechargeable battery systems.展开更多
For characteristics of open and far from thermodynamic equilibrium in welding chemical reaction, a new kind of quantitative method, which is used to analyze direction and extent for chemical reaction of SiO2/Fe during...For characteristics of open and far from thermodynamic equilibrium in welding chemical reaction, a new kind of quantitative method, which is used to analyze direction and extent for chemical reaction of SiO2/Fe during quasi-steady state period, is introduced with the concept of non-equilibrium stationary state. The main idea is based on thermodynamic driving forces, which result in non-zero thermodynamic fluxes and lead to chemical reaction far away from thermodynamic equilibrium. There exists certain dynamic equilibrium relationship between rates of diffusion fluxes in liquid phase of reactants or products and the rate equation of chemical reaction when welding is in quasi-steady state. As result of this, a group of non-linear equations containing concentrations of all substances at interface of slag/liquid-metal may be established. Moreover the stability of this non-equilibrium stationary state is discussed using dissipative structure theory and it is concluded theoretically that this non-equilibrium stationary state for welding chemical reaction is of stability.展开更多
Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the...Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the formation energy,excess volume,dislocations and melting behaviors of GBs in CuFe alloys.It is illustrated that Fe solute affects the structural stability of Cu GBs substantially,the formation energy of GBs is reduced,but the thickness and melting point of GBs are increased,that is,the structural stability of Cu GBs is significantly improved owing to the Fe solutes.A strong scaling law exists between the formation energy,excess volume,thickness and melting point of GBs.Therefore,Fe solid solute plays an important role in the characteristics of GBs in bi-crystal Cu.展开更多
Topological structure and stability of a slender cross flow is discussed by the stability theory of dynamic system. The inner boundary of flow field was limiting streamline and it was proved that the topological struc...Topological structure and stability of a slender cross flow is discussed by the stability theory of dynamic system. The inner boundary of flow field was limiting streamline and it was proved that the topological structure connected saddles by limiting streamline is stable. It is proved that the development of slender vortices leads to the change of topological structure about cross flow. And it is the change from stable and symmetrical vortices flow pattern to unstable and symmetrical vortices flow pattern, and then to stable and asymmetrical vortices flow pattern due to little disturbance which leads to the development of asymmetrical slender vortices. The influence of disturbance to flowfield structure was discussed by unfolding theory too.展开更多
Generally, the reliability of ami -sliding and anti-overturning stability of an isolated gravity cylinder in a certain working period can be evaluated only when the statistical properties of short term stability are g...Generally, the reliability of ami -sliding and anti-overturning stability of an isolated gravity cylinder in a certain working period can be evaluated only when the statistical properties of short term stability are given first. The authors used numerical method to simulate the stability state function of a cylinder in short-crested sea, and further to get the probabilitical characteristics of the structure's stability by time domain analysis. The external loads appeared in the state functions include horizontal wave force, lift force and the respective moments, and the loads are correlated by co- spectrum. The numerical method presented in this paper can be used not only to solve short term reliability problem directly, but to calculate and analyse the long term reliability problem as well. For circular cylinders, an example of simulation and analysis is displayed in this paper.展开更多
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(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 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.
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.
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.
文摘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.
基金Supported by US-China CERC on Clean Vehicle Consortium,the Ministry of Science and Technology of China(2010DFA72760)
文摘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.
文摘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.
文摘Because of urbanization,land resources in China’s cities has become increasingly scarce.Therefore,modern buildings are becoming taller,making high-rise steel frame structures the new favorite of the construction industry.However,the construction of high-rise steel frame structures requires advanced technology.If the construction technology is effectively implemented and the welding techniques of the construction personnel align with the requirements for high-rise steel frame structures,it can help mitigate deformations in the steel structure,thus preserving the overall construction quality of high-rise steel frame structures.To enhance the applicability of steel frame structures in high-rise buildings,this paper focuses on analyzing the optimization path for the construction process of high-rise steel frame structures.It introduces a tailored approach to control welding-induced deformations in steel frame structures,aiming to make a valuable contribution to the advancement of China’s construction industry.
基金the National Natural Science Foundation of China(51902072 and 22075062)the Heilongjiang Touyan Team(HITTY-20190033)+2 种基金the Heilongjiang Province“hundred million”project science and technology major special projects(2019ZX09A02)the State Key Laboratory of Urban Water Resource and Environment(Harbin Institute of Technology No.2020DX11)the Fundamental Research Funds for the Central Universities(FRFCU5710051922)。
文摘Co-free Li-rich layered oxide cathodes have drawn much attention owing to their low cost and high energy density.Nevertheless,anion oxidation of oxygen leads to oxygen peroxidation during the first charging process,which leads to co-migration of transition metal ions and oxygen vacancies,causing structural instability.In this work,we propose a pre-activation strategy driven by chemical impregnation to modulate the chemical state of surface lattice oxygen,thus regulating the structural and electrochemical properties of the cathodes.In-situ X-ray diffraction confirms that materials based on activated oxygen configuration have higher structural stability.More importantly,this novel efficient strategy endows the cathodes having a lower surface charge transfer barrier and higher Li+transfer kinetics characteristic and ameliorates its inherent issues.The optimized cathode exhibits excellent electrochemical performance:after 300 cycles,high capacity(from 238 m Ah g^(-1)to 193 m Ah g^(-1)at 1 C)and low voltage attenuation(168 mV)are obtained.Overall,this modulated surface lattice oxygen strategy improves the electrochemical activity and structural stability,providing an innovative idea to obtain high-capacity Co-free Li-rich cathodes for next-generation Li-ion batteries.
基金Supported by the China National Funds for Distinguished Young Scientists (50925931)the Special Funds for Major State Basic Research Projects (2009CB724604)
文摘The strict definition and logical description of the concept of structure stability and failure are presented. The criterion of structure stability is developed based on plastic complementary energy and its variation. It is presented that the principle of minimum plastic complementary energy is the combination of structure equilibrium, coordination condition of deformation and constitutive relationship. Based on the above arguments, the deformation reinforcement theory is developed. The structure global stability can be described by the relationship between the global degree of safety of structure and the plastic complementary energy. Correspondingly, the new idea is used in the evaluations of global stability, anchorage force of dam-toe, fracture of dam-heel and treatment of faults of high arch dams in China. The results show that the deformation reinforcement theory provides a uniform and practical theoretical framework and a valuable solution for the analysis of global stability, dam-heel cracking, dam-toe anchorage and reinforcement of faults of high arch dams and their foundations.
基金Korea Institute of Materials Science,Grant/Award Number:PNK9370National Research Foundation of Korea,Grant/Award Numbers:NRF-2021R1A2C1014280,NRF-2022R1C1C1011058,NRF-2022M3H446401037201Korea Institute of Science and Technology,Grant/Award Number:2E32581-23-092。
文摘Layered-type transition metal(TM)oxides are considered as one of the most promising cathodes for K-ion batteries because of the large theoretical gravimetric capacity by low molar mass.However,they suffer from severe structural change by de/intercalation and diffusion of K^(+)ions with large ionic size,which results in not only much lower reversible capacity than the theoretical capacity but also poor power capability.Thus,it is important to enhance the structural stability of the layered-type TM oxides for outstanding electrochemical behaviors under the K-ion battery system.Herein,it is investigated that the substitution of the appropriate Ti^(4+)contents enables a highly enlarged reversible capacity of P3-type KxCrO_(2) using combined studies of first-principles calculation and various experiments.Whereas the pristine P3-type KxCrO_(2) just exhibits the reversible capacity of∼120 mAh g^(−1) in the voltage range of 1.5-4.0 V(vs.K^(+)/K),the∼0.61 mol K^(+)corresponding to∼150 mAh g^(−1) can be reversible de/intercalated at the structure of P3-type K0.71[Cr_(0.75)Ti_(0.25)]O_(2) under the same conditions.Furthermore,even at the high current density of 788 mA g^(−1),the specific capacity of P3-type K0.71[Cr_(0.75)Ti_(0.25)]O_(2) is∼120 mAh g^(−1),which is∼81 times larger than that of the pristine P3-type KxCrO_(2).It is believed that this research can provide an effective strategy to improve the electrochemical performances of the cathode materials suffered by severe structural change that occurred during charge/discharge under not only K-ion battery system but also other rechargeable battery systems.
基金This project is supported by National Natural Science Foundation of China(No. 50544025)Natural Science Foundation of High Education of Jiangsu Province, China (No. 05KJB460030)
文摘For characteristics of open and far from thermodynamic equilibrium in welding chemical reaction, a new kind of quantitative method, which is used to analyze direction and extent for chemical reaction of SiO2/Fe during quasi-steady state period, is introduced with the concept of non-equilibrium stationary state. The main idea is based on thermodynamic driving forces, which result in non-zero thermodynamic fluxes and lead to chemical reaction far away from thermodynamic equilibrium. There exists certain dynamic equilibrium relationship between rates of diffusion fluxes in liquid phase of reactants or products and the rate equation of chemical reaction when welding is in quasi-steady state. As result of this, a group of non-linear equations containing concentrations of all substances at interface of slag/liquid-metal may be established. Moreover the stability of this non-equilibrium stationary state is discussed using dissipative structure theory and it is concluded theoretically that this non-equilibrium stationary state for welding chemical reaction is of stability.
基金supported by National Key Research and Development Program of China(No.2021YFB3400800)National Natural Science Foundation of China(Grant No.52271136,51901177)Natural Science Foundation of Shaanxi Province(No.2021JC-06,2019TD-020).
文摘Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the formation energy,excess volume,dislocations and melting behaviors of GBs in CuFe alloys.It is illustrated that Fe solute affects the structural stability of Cu GBs substantially,the formation energy of GBs is reduced,but the thickness and melting point of GBs are increased,that is,the structural stability of Cu GBs is significantly improved owing to the Fe solutes.A strong scaling law exists between the formation energy,excess volume,thickness and melting point of GBs.Therefore,Fe solid solute plays an important role in the characteristics of GBs in bi-crystal Cu.
文摘Topological structure and stability of a slender cross flow is discussed by the stability theory of dynamic system. The inner boundary of flow field was limiting streamline and it was proved that the topological structure connected saddles by limiting streamline is stable. It is proved that the development of slender vortices leads to the change of topological structure about cross flow. And it is the change from stable and symmetrical vortices flow pattern to unstable and symmetrical vortices flow pattern, and then to stable and asymmetrical vortices flow pattern due to little disturbance which leads to the development of asymmetrical slender vortices. The influence of disturbance to flowfield structure was discussed by unfolding theory too.
文摘Generally, the reliability of ami -sliding and anti-overturning stability of an isolated gravity cylinder in a certain working period can be evaluated only when the statistical properties of short term stability are given first. The authors used numerical method to simulate the stability state function of a cylinder in short-crested sea, and further to get the probabilitical characteristics of the structure's stability by time domain analysis. The external loads appeared in the state functions include horizontal wave force, lift force and the respective moments, and the loads are correlated by co- spectrum. The numerical method presented in this paper can be used not only to solve short term reliability problem directly, but to calculate and analyse the long term reliability problem as well. For circular cylinders, an example of simulation and analysis is displayed in this paper.