Cross-region innovation is widely recognized as an important source of the long-term regional innovation capacity.In the recent past,a growing number of studies has investigated the network structure and mechanisms of...Cross-region innovation is widely recognized as an important source of the long-term regional innovation capacity.In the recent past,a growing number of studies has investigated the network structure and mechanisms of cross-region innovation collaboration in various contexts.However,existing research mainly focuses on physical effects,such as geographical distance and high-speed railway connections.These studies ignore the intangible drivers in a changing environment,the more digitalized economy and the increasingly solidified innovation network structure.Thus,the focus of this study is on estimating determinants of innovation networks,especially on intangible drivers,which have been largely neglected so far.Using city-level data of Chinese patents(excluding Hong Kong,Macao,and Taiwan Province of China),we trace innovation networks across Chinese cities over a long period of time.By integrating a measure on Information and Communications Technology(ICT)development gap and network structural effects into the general proximity framework,this paper explores the changing mechanisms of Chinese innovation networks from a new perspective.The results show that the structure of cross-region innovation networks has changed in China.As mechanisms behind this development,the results confirm the increasingly important role of intangible drivers in Chinese inter-city innovation collaboration when controlling for effects of physical proximity,such as geographical distance.Since digitalization and coordinated development are the mainstream trends in China and other developing countries,these countries'inter-city innovation collaboration patterns will witness dramatic changes under the influence of intangible drivers.展开更多
Due to the randomness of earthquake wave magnitude and direction, and the uncertain direction of strong axis and weak axis in the construction of engineering structures, the effect of the direction of ground motion on...Due to the randomness of earthquake wave magnitude and direction, and the uncertain direction of strong axis and weak axis in the construction of engineering structures, the effect of the direction of ground motion on a structure are studied herein. Ground motion records usually contain three vertical ground motion data, which are obtained by sensors arranged in accordance with the EW (East -West) direction, NS (South- North) direction and perpendicular to the surface (z) direction, referring to the construction standard of seismic stations. The seismic records in the EW and NS directions are converted to Cartesian coordinates in accordance with the rotation of θ = 0°-180°, and consequently, a countless group of new ground motion time histories are obtained. Then, the characteristics of the ground motion time history and response spectrum of each group were studied, resulting in the following observations: (1) the peak and phase of ground motion are changed with the rotation of direction θ, so that the direction θ of the maximum peak ground motion can be determined; (2) response spectrum values of each group of ground motions change along with the direction θ, and their peak, predominant period and declining curve are also different as the changes occur; then, the angle θ in the direction of the maximum peak value or the widest predominant period can be determined; and (3) the seismic response of structures with different directions of ground motion inputs has been analyzed under the same earthquake record, and the results show the difference. For some ground motion records, such as the Taft seismic wave, these differences are significant. Next, the Lushan middle school gymnasium structure was analyzed and the calculation was checked using the proposed method, where the internal force of the upper space truss varied from 25% to 28%. The research results presented herein can be used for reference in choosing the ground motion when checking the actual damage to structures following earthquakes and explaining the seismic damage. Meanwhile, it also provides a reference value for research into the most severe ground motion.展开更多
In this study, we designed and fabricated optical materials consisting of alternating ITO and Ag layers. This approach is considered to be a promising way to obtain a light-weight, ultrathin and transparent shielding ...In this study, we designed and fabricated optical materials consisting of alternating ITO and Ag layers. This approach is considered to be a promising way to obtain a light-weight, ultrathin and transparent shielding medium, which not only transmits visible light but also inhibits the transmission of microwaves, despite the fact that the total thickness of the Ag film is much larger than the skin depth in the visible range and less than that in the microwave region. Theoretical results suggest that a high dielectric/metal thickness ratio can enhance the broadband and improve the transmittance in the optical range. Accordingly, the central wavelength was found to be red-shifted with increasing dielectric/metal thickness ratio. A physical mechanism behind the controlling transmission of visible light is also proposed. Meanwhile, the electromagnetic shielding effectiveness of the prepared structures was found to exceed 40 dB in the range from 0.1 GHz to 18 GHz, even reaching up to 70 dB at 0.1 GHz, which is far higher than that of a single ITO film of the same thickness.展开更多
In this paper, a novel magnetoelectric(ME) composite structure is proposed, and the ME response in the structure is measured at the bias magnetic field up to 2000 Oe(1 Oe = 79.5775 A·m^(-1)) and the excitat...In this paper, a novel magnetoelectric(ME) composite structure is proposed, and the ME response in the structure is measured at the bias magnetic field up to 2000 Oe(1 Oe = 79.5775 A·m^(-1)) and the excitation frequency of alternating magnetic field ranging from 1 kHz to 200 kHz. The ME voltage of each PZT layer is detected. According to the measurement results, the phase differences are observed among three channels and the multi-peak phenomenon appears in each channel. Meanwhile, the results show that the ME structure can stay a relatively high ME response within a wide bandwidth.Besides, the hysteretic loops of three PZT layers are observed. When the frequency of alternating current(AC) magnetic field changes, the maximum value of ME coefficient appears in different layers due to the multiple vibration modes of the structure. Moreover, a finite element analysis is performed to evaluate the resonant frequency of the structure, and the theoretical calculating results accord well with the experimental results. The experiment results suggest that the proposed structure may be a good candidate for designing broadband magnetic field sensors.展开更多
By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L...By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of states (DOS) and one-electron properties, such as relative binding tendency between the atom and the model cluster, and hybrid bonding tendency between the alloying element and the host atoms. By comparing the four models of Ti4Al14X cluster, the effect of the Fe, Ni or Cu atom on the physical properties of Al3Ti-based L12 intermetallic compounds is analyzed. The results indicate that the addition of the Fe, Ni or Cu atom intensifies the relative binding tendency between Ti atom and Ti4Al14X cluster. It was found that the Fermi level (EF) lies in a maximum in the DOS for Ti4Al14Al cluster; on the contrary, the EF comes near a minimum tn the DOS for Ti4Al14X (X=Fe, Ni and Cu) cluster. Thus the L12 crystal structure for binary Al3Ti alloy is unstable, and the addition of the Fe, Ni or Cu atom to Al3Ti is benefical to stabilize L12 crystal structure. The calculation also shows that the Fe, Ni or Cu atom strengthens the hybrid bonding tendency between the central atom and the host atoms for Ti4Al14X cluster and thereby may lead to the constriction of the lattice of Al3Ti-base intermetallic compounds.展开更多
[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn, Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2), γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·...[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn, Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2), γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·cm^(-3),(MoK_α)=0.71069,F(000)=520, μ=58.21cm^(-1),final R=0.040 for 2192 observed reflections,T=296K.The compound is a mononuclear complex,containing a tetrahedrally coordinated zinc atom.展开更多
In this paper,the functional polymeric active materials were prepared by the grafting copolymerization and their structure and properties were studied.The results show that the structure and properties of these ac- ti...In this paper,the functional polymeric active materials were prepared by the grafting copolymerization and their structure and properties were studied.The results show that the structure and properties of these ac- tive materials have the relative large effects on the properties of gadolinium ion selective electrodes.展开更多
A theoretical study on oligopeptide chains of glycine-alanine by density functional theory(DFT) is given in this paper. Raman spectra of the oligopeptide chains are examined. The geometric structures, frontier orbit...A theoretical study on oligopeptide chains of glycine-alanine by density functional theory(DFT) is given in this paper. Raman spectra of the oligopeptide chains are examined. The geometric structures, frontier orbital, energy gap, atomic charge distribution, density of states and chemical activity of the side chain are studied at the B3LYP/6-31G(d) level. Results show that, with the number of residues increasing, vibrations of typical functional groups present Raman frequency shift, and the energy gap is gradually reduced. The HOMO and LUMO focus on the amino and carboxyl at the ends of oligopeptides. It is helpful for oligopeptides to self-assemble into chains. In addition, different residues(glycine or alanine) at the ends of chains result in the even-odd effect of orbital energy in the growth process. The size effects of physical and chemical properties only exist when the oligopeptides are shorter, and the phenomenon disappeared as the chain continues to grow.展开更多
We explore the excitonic effects in chiral graphene nanoribbons (cGNRs), whose edges are composed alternatively of armchair-edged and zigzag-edged segments. For cGNRs dominated by armchair edges, their energy gaps and...We explore the excitonic effects in chiral graphene nanoribbons (cGNRs), whose edges are composed alternatively of armchair-edged and zigzag-edged segments. For cGNRs dominated by armchair edges, their energy gaps and exciton energies decrease with increasing chirality angles, and they, as functions of widths, oscillate with the period of three, while the exciton binding energies do not have such distinct oscillation. On the other hand, for cGNRs dominated by zigzag edges, all the energy gaps, exciton energies, and exciton binding energies show oscillation properties with their widths, due to the interactions between the edge states localized at the opposite zigzag edges. In addition, the triplet excitons are energy degenerate when the electrons are spin-unpolarized, while the degeneracy split when the electrons are spin-polarized. All the studied cGNRs show strong excitonic effects with the exciton binding energies of hundreds of meV.展开更多
Hydrogenated Cr-incorporated carbon films (Cr/a-C:H) are deposited successfully by using a dc reactive mag- netron sputtering system. The structure and mechanical properties of the as-deposited Cr/a-C:H films are ...Hydrogenated Cr-incorporated carbon films (Cr/a-C:H) are deposited successfully by using a dc reactive mag- netron sputtering system. The structure and mechanical properties of the as-deposited Cr/a-C:H films are characterized systematically by field-emission scanning electron microscope, x-ray diffraction, Raman spectra, nanoindentation and scratch. It is shown that optimal Cr metal forms nanocrystalline carbide to improve the hardness, toughness and adhesion strength in the amorphous carbon matrix, which possesses relatively higher nano-hardness of 15. 7 CPa, elastic modulus of 126.8 GPa and best adhesion strength with critical load (Lc) of 36 N for the Cr/a-C:H film deposited at CH4 flow rate of 20sccm. The friction and wear behaviors of as-deposited Cr/a-C:H films are evaluated under both the ambient air and deionized water conditions. The results reveal that it can achieve superior low friction and anti-wear performance for the Cr/a-C:H film deposited at CH4 flow rate of 20sccm under the ambient air condition, and the friction coetllcient and wear rate tested in deionized water condition are relatively lower compared with those tested under the ambient air condition for each film. Superior combination of mechanical and tribological properties for the Cr/a-C:H film should be a good candidate for engineering applications.展开更多
Compounds 1 (C17H22N2,Mr =254.37) and 2 (C13H16N2,Mr=200.28) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction.Crystal 1 belongs to triclinic,space group P(1)...Compounds 1 (C17H22N2,Mr =254.37) and 2 (C13H16N2,Mr=200.28) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction.Crystal 1 belongs to triclinic,space group P(1) with a =6.524(2),b =8.987(3),c =12.746(5) A,α =95.220(7),β =90.055(6),γ =104.431(6)°,V =720.5(4) A^3,Z =2,Dc =1.173 g/cm^3,μ(MoKα) =0.069 mm1,F(000) =276,R =0.0578 and wR =0.1221 for 1487 observed reflections Ⅰ 〉 2o(Ⅰ).Crystal 2 is of tetragonal system,space group Ⅰ41/a with a =20.763(10),b =20.763(10),c =11.427(6) A,V=4926(4) A3,Z =16,Dc =1.080 g/cm^3,μ(MoKα) =0.065 mm-1,F(000) =1728,R =0.0581 and wR =0.1288 for 1408 observed reflections with Ⅰ 〉 2σ(Ⅰ).Although the two compounds are similar with the same pyrazole and benzene ring units,X-ray analysis reveals that their structures are completely different maybe caused by steric effects.展开更多
This paper studies correlations between the spatial structure character of thermal forcing and deformation and the amplitude of rays of meridional wave train. It is shown that if thermal forcing appears a meridional l...This paper studies correlations between the spatial structure character of thermal forcing and deformation and the amplitude of rays of meridional wave train. It is shown that if thermal forcing appears a meridional linear variation the rays of quasi-stationary planetary wave may propagate along oblique lines and if the meridional variability of heat source has second order term the rays show distinct deformation as a great circular route. Additionally, the inhomogeneous distribution may cause lower frequency oscillations in mid- and low-latitudes. The combination of zonal and meridional wave numbers and distributive character of heat source may form an inverse mechanism of variational trend of generized wave energy, reflecting in some degree the physical process of transition between meridional and zonal flow patterns.展开更多
The dispersion behavior of MoO_3 on ZSM-11 and effect of dispersed MoO_3 on the fram ework structure of ZSM-11 have been studjed using X-ray diffraction and infrared spectroscopy
By the reaction of different aromatic dicarboxylic acid with zinc nitrate, three metal-carboxylate frameworks, [Zn3(BDC)3(EtOH)2](1), [Zn3(BDC)3(py)2]·2DMF(2), and [Zn3(NH2-BDC)3(H2O)2]·5DMF...By the reaction of different aromatic dicarboxylic acid with zinc nitrate, three metal-carboxylate frameworks, [Zn3(BDC)3(EtOH)2](1), [Zn3(BDC)3(py)2]·2DMF(2), and [Zn3(NH2-BDC)3(H2O)2]·5DMF(3) which are constructed on the same linear trinuclear Zn3(RCOO)6 secondary building units, have been synthesized and characterized by X-ray diffraction analyses. Structural analyses showed that there are terephthalic acids as ligand linkers to form the hxl topological layer structures for 1 and 2. The introduction of the rigid aromatic ring pyridine in 2 as the terminal co-ligand of Zn3-SBU to instead of the flexible ethanol in 1, will form the layer-pillared supramolecular systems with 2-D crisscross channels, through its π-π stacking interactions. Owing to the steric hindrance of amino groups, 3 was assembled into a three-dimensional porous structure with pcu topology derived from the 2-amino-terephthalic acid as linkers to connect the Zn3-SBUs through a head-to-tail type.展开更多
In this paper, using Holland's method, the effect of the horizontal structure of tropical cyclones on their motion is investigated. The 'characteristic radius', r0 characterized as the horizontal structure...In this paper, using Holland's method, the effect of the horizontal structure of tropical cyclones on their motion is investigated. The 'characteristic radius', r0 characterized as the horizontal structure of a tropical cyclone,in which m and p are the parameters of the vortex, has been found by the author. And then it has been shown that there is but one 'characteristic radius' for each cyclone with horizontal structure. Two direct analytic solutions for the uniform and non-uniform basic flows in steady situations are presented with rc Results show that the change in the horizontal structure of the tropical cyclone itself will have obvious effect on the cyclone motion, on both its direction and speed. Therefore it must be considered in the research on the tropical cyclone motion.展开更多
This paper established the axle load distribution model of overload axes by practical axle-meter investigations. To study the effects of overload axes on pavement distress, deflection and deflection basin tests with a...This paper established the axle load distribution model of overload axes by practical axle-meter investigations. To study the effects of overload axes on pavement distress, deflection and deflection basin tests with axle load from 60kN to 190kN were conducted on different pavement structures. The relationship between axle load and its deflection as well as its deflection basin curvature was obtained by statistical analyses. A methodology for deriving the equivalent conversion factors of overload axes to equivalent standard axle loads (ESAL) of 100kN is developed, obtaining the relationship between the equivalent conversion factors and the axle loads. Comparing the calculated defiections with the measured deflections, that elastic layered system theory is suitable for analyzing overload vehicles was verified. Consequently, the stresses and strains caused by overload axes were calculated by elastic layered system theory. The results showed that overload axes led to greater stresses and strains causing premature pavement fatigue distress. To guarantee the expected performance in overload axes pavement, the structure thickness needed increasing was obtained. The results are of referential values in the control of semi-rigid pavement overloadings.展开更多
Twist structures have diverse applications, ranging from dragline, electrical cable, and intelligent structure. Among these applications, tension deformation can't be avoided during the fabrication and working proces...Twist structures have diverse applications, ranging from dragline, electrical cable, and intelligent structure. Among these applications, tension deformation can't be avoided during the fabrication and working processes, which often leads to the twist structure rotation (called untwisting effect) and twist pitch increasing. As a consequence, this untwisting behavior has a large effect on the effective Young's modulus. In this paper, we present an improved model based on the classical Costello's theory to predict the effective Young's modulus of the basic structure, twisted by three same copper strands under cyclic loading. Series of experiments were carried out to verify the present model taking into account the untwisting effect. The experimental results have better agreements with the presented model than the common Costello's model.展开更多
The velocity ratio of a free shear layer has an important influence on the spatial development of the large scale coherent structures in the layer. In this study, numerical simulations are performed to get an insight ...The velocity ratio of a free shear layer has an important influence on the spatial development of the large scale coherent structures in the layer. In this study, numerical simulations are performed to get an insight into this problem. The obtained numerical results agree quite well with those of a linear inviscid stability theory and the available experimental data.展开更多
A new Monte Carlo simulation of the track structure of low-energy electrons (〈10keV) in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid w...A new Monte Carlo simulation of the track structure of low-energy electrons (〈10keV) in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid water on electron elastic scattering with the use of the Champion model, while the dielectric response formalism incorporating the optical-data model developed by Emfietzoglou et al. is applied for calculating the electron inelastic scattering. The spatial distributions of energy deposition and inelastic scattering events of low-energy electrons with different primary energies in liquid water are calculated and compared with other theoretical evaluations. The present work shows that the condensed-phase effect of liquid water on electron elastic scattering may be of the influence on the fraction of absorbed energy and distribution of inelastic scattering events at lower primary energies, which also indicate potential effects on the DNA damage induced by low-energy electrons.展开更多
基金Under the auspices of China Scholarship Council。
文摘Cross-region innovation is widely recognized as an important source of the long-term regional innovation capacity.In the recent past,a growing number of studies has investigated the network structure and mechanisms of cross-region innovation collaboration in various contexts.However,existing research mainly focuses on physical effects,such as geographical distance and high-speed railway connections.These studies ignore the intangible drivers in a changing environment,the more digitalized economy and the increasingly solidified innovation network structure.Thus,the focus of this study is on estimating determinants of innovation networks,especially on intangible drivers,which have been largely neglected so far.Using city-level data of Chinese patents(excluding Hong Kong,Macao,and Taiwan Province of China),we trace innovation networks across Chinese cities over a long period of time.By integrating a measure on Information and Communications Technology(ICT)development gap and network structural effects into the general proximity framework,this paper explores the changing mechanisms of Chinese innovation networks from a new perspective.The results show that the structure of cross-region innovation networks has changed in China.As mechanisms behind this development,the results confirm the increasingly important role of intangible drivers in Chinese inter-city innovation collaboration when controlling for effects of physical proximity,such as geographical distance.Since digitalization and coordinated development are the mainstream trends in China and other developing countries,these countries'inter-city innovation collaboration patterns will witness dramatic changes under the influence of intangible drivers.
基金National Technology Research and Development Program of the Ministry of Science and Technology of China under Grant No.2015BAK17B03National Natural Science Foundation of China(General Program)under Grant No.51278152+1 种基金National Science & Technology Pillar Program(2015BAK17B06)Program for Innovation Research Team in China Earthquake Administration
文摘Due to the randomness of earthquake wave magnitude and direction, and the uncertain direction of strong axis and weak axis in the construction of engineering structures, the effect of the direction of ground motion on a structure are studied herein. Ground motion records usually contain three vertical ground motion data, which are obtained by sensors arranged in accordance with the EW (East -West) direction, NS (South- North) direction and perpendicular to the surface (z) direction, referring to the construction standard of seismic stations. The seismic records in the EW and NS directions are converted to Cartesian coordinates in accordance with the rotation of θ = 0°-180°, and consequently, a countless group of new ground motion time histories are obtained. Then, the characteristics of the ground motion time history and response spectrum of each group were studied, resulting in the following observations: (1) the peak and phase of ground motion are changed with the rotation of direction θ, so that the direction θ of the maximum peak ground motion can be determined; (2) response spectrum values of each group of ground motions change along with the direction θ, and their peak, predominant period and declining curve are also different as the changes occur; then, the angle θ in the direction of the maximum peak value or the widest predominant period can be determined; and (3) the seismic response of structures with different directions of ground motion inputs has been analyzed under the same earthquake record, and the results show the difference. For some ground motion records, such as the Taft seismic wave, these differences are significant. Next, the Lushan middle school gymnasium structure was analyzed and the calculation was checked using the proposed method, where the internal force of the upper space truss varied from 25% to 28%. The research results presented herein can be used for reference in choosing the ground motion when checking the actual damage to structures following earthquakes and explaining the seismic damage. Meanwhile, it also provides a reference value for research into the most severe ground motion.
基金Project supported by the International Science&Technology Cooperation Program of China(Grant No.2014DFR10020)the Science Foundation of Shanxi Province,China(Grant Nos.201701D121050 and 201701D121007)
文摘In this study, we designed and fabricated optical materials consisting of alternating ITO and Ag layers. This approach is considered to be a promising way to obtain a light-weight, ultrathin and transparent shielding medium, which not only transmits visible light but also inhibits the transmission of microwaves, despite the fact that the total thickness of the Ag film is much larger than the skin depth in the visible range and less than that in the microwave region. Theoretical results suggest that a high dielectric/metal thickness ratio can enhance the broadband and improve the transmittance in the optical range. Accordingly, the central wavelength was found to be red-shifted with increasing dielectric/metal thickness ratio. A physical mechanism behind the controlling transmission of visible light is also proposed. Meanwhile, the electromagnetic shielding effectiveness of the prepared structures was found to exceed 40 dB in the range from 0.1 GHz to 18 GHz, even reaching up to 70 dB at 0.1 GHz, which is far higher than that of a single ITO film of the same thickness.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11702120,11372120,11421062,and 11572143)the Fundamental Research Funds for the Central Universities,China(Grant No.lzujbky-2016-106)
文摘In this paper, a novel magnetoelectric(ME) composite structure is proposed, and the ME response in the structure is measured at the bias magnetic field up to 2000 Oe(1 Oe = 79.5775 A·m^(-1)) and the excitation frequency of alternating magnetic field ranging from 1 kHz to 200 kHz. The ME voltage of each PZT layer is detected. According to the measurement results, the phase differences are observed among three channels and the multi-peak phenomenon appears in each channel. Meanwhile, the results show that the ME structure can stay a relatively high ME response within a wide bandwidth.Besides, the hysteretic loops of three PZT layers are observed. When the frequency of alternating current(AC) magnetic field changes, the maximum value of ME coefficient appears in different layers due to the multiple vibration modes of the structure. Moreover, a finite element analysis is performed to evaluate the resonant frequency of the structure, and the theoretical calculating results accord well with the experimental results. The experiment results suggest that the proposed structure may be a good candidate for designing broadband magnetic field sensors.
文摘By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of states (DOS) and one-electron properties, such as relative binding tendency between the atom and the model cluster, and hybrid bonding tendency between the alloying element and the host atoms. By comparing the four models of Ti4Al14X cluster, the effect of the Fe, Ni or Cu atom on the physical properties of Al3Ti-based L12 intermetallic compounds is analyzed. The results indicate that the addition of the Fe, Ni or Cu atom intensifies the relative binding tendency between Ti atom and Ti4Al14X cluster. It was found that the Fermi level (EF) lies in a maximum in the DOS for Ti4Al14Al cluster; on the contrary, the EF comes near a minimum tn the DOS for Ti4Al14X (X=Fe, Ni and Cu) cluster. Thus the L12 crystal structure for binary Al3Ti alloy is unstable, and the addition of the Fe, Ni or Cu atom to Al3Ti is benefical to stabilize L12 crystal structure. The calculation also shows that the Fe, Ni or Cu atom strengthens the hybrid bonding tendency between the central atom and the host atoms for Ti4Al14X cluster and thereby may lead to the constriction of the lattice of Al3Ti-base intermetallic compounds.
文摘[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn, Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2), γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·cm^(-3),(MoK_α)=0.71069,F(000)=520, μ=58.21cm^(-1),final R=0.040 for 2192 observed reflections,T=296K.The compound is a mononuclear complex,containing a tetrahedrally coordinated zinc atom.
文摘In this paper,the functional polymeric active materials were prepared by the grafting copolymerization and their structure and properties were studied.The results show that the structure and properties of these ac- tive materials have the relative large effects on the properties of gadolinium ion selective electrodes.
基金Supported by the National Natural Science Foundation of China(No.60878063)the Program from Traditional Chinese Medicine Bureau of Guangdong Province(No.2008233)
文摘A theoretical study on oligopeptide chains of glycine-alanine by density functional theory(DFT) is given in this paper. Raman spectra of the oligopeptide chains are examined. The geometric structures, frontier orbital, energy gap, atomic charge distribution, density of states and chemical activity of the side chain are studied at the B3LYP/6-31G(d) level. Results show that, with the number of residues increasing, vibrations of typical functional groups present Raman frequency shift, and the energy gap is gradually reduced. The HOMO and LUMO focus on the amino and carboxyl at the ends of oligopeptides. It is helpful for oligopeptides to self-assemble into chains. In addition, different residues(glycine or alanine) at the ends of chains result in the even-odd effect of orbital energy in the growth process. The size effects of physical and chemical properties only exist when the oligopeptides are shorter, and the phenomenon disappeared as the chain continues to grow.
基金Supported by the National Key Scientific Research Projects of China under Grant No 2015CB932400the National Natural Science Foundation of China under Grant Nos 11504158,61474059,and U1432129+1 种基金the Program for New Century Excellent Talents in University of Ministry of Education of China under Grant No NCET-11-1003the Jiangxi Provincial'Ganpo Talentes 555Projects'
文摘We explore the excitonic effects in chiral graphene nanoribbons (cGNRs), whose edges are composed alternatively of armchair-edged and zigzag-edged segments. For cGNRs dominated by armchair edges, their energy gaps and exciton energies decrease with increasing chirality angles, and they, as functions of widths, oscillate with the period of three, while the exciton binding energies do not have such distinct oscillation. On the other hand, for cGNRs dominated by zigzag edges, all the energy gaps, exciton energies, and exciton binding energies show oscillation properties with their widths, due to the interactions between the edge states localized at the opposite zigzag edges. In addition, the triplet excitons are energy degenerate when the electrons are spin-unpolarized, while the degeneracy split when the electrons are spin-polarized. All the studied cGNRs show strong excitonic effects with the exciton binding energies of hundreds of meV.
基金Supported by the National Natural Science Foundation of China under Grant Nos 51302116 and 51365016the Open Fund Item of State Key Laboratory of Solid Lubrication of Lanzhou Institute of Chemical Physics of Chinese Academy of Sciences under Grant No LSL-1203
文摘Hydrogenated Cr-incorporated carbon films (Cr/a-C:H) are deposited successfully by using a dc reactive mag- netron sputtering system. The structure and mechanical properties of the as-deposited Cr/a-C:H films are characterized systematically by field-emission scanning electron microscope, x-ray diffraction, Raman spectra, nanoindentation and scratch. It is shown that optimal Cr metal forms nanocrystalline carbide to improve the hardness, toughness and adhesion strength in the amorphous carbon matrix, which possesses relatively higher nano-hardness of 15. 7 CPa, elastic modulus of 126.8 GPa and best adhesion strength with critical load (Lc) of 36 N for the Cr/a-C:H film deposited at CH4 flow rate of 20sccm. The friction and wear behaviors of as-deposited Cr/a-C:H films are evaluated under both the ambient air and deionized water conditions. The results reveal that it can achieve superior low friction and anti-wear performance for the Cr/a-C:H film deposited at CH4 flow rate of 20sccm under the ambient air condition, and the friction coetllcient and wear rate tested in deionized water condition are relatively lower compared with those tested under the ambient air condition for each film. Superior combination of mechanical and tribological properties for the Cr/a-C:H film should be a good candidate for engineering applications.
基金Supported by Hubei University of Technology,Science and Technology Department of Hubei Province(No.2012FFB00706)National Natural Science Foundation of China(No.21272086)
文摘Compounds 1 (C17H22N2,Mr =254.37) and 2 (C13H16N2,Mr=200.28) have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction.Crystal 1 belongs to triclinic,space group P(1) with a =6.524(2),b =8.987(3),c =12.746(5) A,α =95.220(7),β =90.055(6),γ =104.431(6)°,V =720.5(4) A^3,Z =2,Dc =1.173 g/cm^3,μ(MoKα) =0.069 mm1,F(000) =276,R =0.0578 and wR =0.1221 for 1487 observed reflections Ⅰ 〉 2o(Ⅰ).Crystal 2 is of tetragonal system,space group Ⅰ41/a with a =20.763(10),b =20.763(10),c =11.427(6) A,V=4926(4) A3,Z =16,Dc =1.080 g/cm^3,μ(MoKα) =0.065 mm-1,F(000) =1728,R =0.0581 and wR =0.1288 for 1408 observed reflections with Ⅰ 〉 2σ(Ⅰ).Although the two compounds are similar with the same pyrazole and benzene ring units,X-ray analysis reveals that their structures are completely different maybe caused by steric effects.
文摘This paper studies correlations between the spatial structure character of thermal forcing and deformation and the amplitude of rays of meridional wave train. It is shown that if thermal forcing appears a meridional linear variation the rays of quasi-stationary planetary wave may propagate along oblique lines and if the meridional variability of heat source has second order term the rays show distinct deformation as a great circular route. Additionally, the inhomogeneous distribution may cause lower frequency oscillations in mid- and low-latitudes. The combination of zonal and meridional wave numbers and distributive character of heat source may form an inverse mechanism of variational trend of generized wave energy, reflecting in some degree the physical process of transition between meridional and zonal flow patterns.
文摘The dispersion behavior of MoO_3 on ZSM-11 and effect of dispersed MoO_3 on the fram ework structure of ZSM-11 have been studjed using X-ray diffraction and infrared spectroscopy
基金supported by the National Natural Science Foundation of China(No.11375082,11305086,11175080)Science Foundation of Hunan Province Department of Education(No.12A117)the Project Sponsored by the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry(Wang X.F.)
文摘By the reaction of different aromatic dicarboxylic acid with zinc nitrate, three metal-carboxylate frameworks, [Zn3(BDC)3(EtOH)2](1), [Zn3(BDC)3(py)2]·2DMF(2), and [Zn3(NH2-BDC)3(H2O)2]·5DMF(3) which are constructed on the same linear trinuclear Zn3(RCOO)6 secondary building units, have been synthesized and characterized by X-ray diffraction analyses. Structural analyses showed that there are terephthalic acids as ligand linkers to form the hxl topological layer structures for 1 and 2. The introduction of the rigid aromatic ring pyridine in 2 as the terminal co-ligand of Zn3-SBU to instead of the flexible ethanol in 1, will form the layer-pillared supramolecular systems with 2-D crisscross channels, through its π-π stacking interactions. Owing to the steric hindrance of amino groups, 3 was assembled into a three-dimensional porous structure with pcu topology derived from the 2-amino-terephthalic acid as linkers to connect the Zn3-SBUs through a head-to-tail type.
文摘In this paper, using Holland's method, the effect of the horizontal structure of tropical cyclones on their motion is investigated. The 'characteristic radius', r0 characterized as the horizontal structure of a tropical cyclone,in which m and p are the parameters of the vortex, has been found by the author. And then it has been shown that there is but one 'characteristic radius' for each cyclone with horizontal structure. Two direct analytic solutions for the uniform and non-uniform basic flows in steady situations are presented with rc Results show that the change in the horizontal structure of the tropical cyclone itself will have obvious effect on the cyclone motion, on both its direction and speed. Therefore it must be considered in the research on the tropical cyclone motion.
文摘This paper established the axle load distribution model of overload axes by practical axle-meter investigations. To study the effects of overload axes on pavement distress, deflection and deflection basin tests with axle load from 60kN to 190kN were conducted on different pavement structures. The relationship between axle load and its deflection as well as its deflection basin curvature was obtained by statistical analyses. A methodology for deriving the equivalent conversion factors of overload axes to equivalent standard axle loads (ESAL) of 100kN is developed, obtaining the relationship between the equivalent conversion factors and the axle loads. Comparing the calculated defiections with the measured deflections, that elastic layered system theory is suitable for analyzing overload vehicles was verified. Consequently, the stresses and strains caused by overload axes were calculated by elastic layered system theory. The results showed that overload axes led to greater stresses and strains causing premature pavement fatigue distress. To guarantee the expected performance in overload axes pavement, the structure thickness needed increasing was obtained. The results are of referential values in the control of semi-rigid pavement overloadings.
基金supported by the National Natural Science Foundation of China(11622217)the National Key Project of Scientific Instrument and Equipment Development(11327802)+1 种基金the National Program for Special Support of Top-Notch Young Professionalssupported by the Fundamental Research Funds for the Central Universities(lzujbky-2017-ot18,lzujbky-2017-k18)
文摘Twist structures have diverse applications, ranging from dragline, electrical cable, and intelligent structure. Among these applications, tension deformation can't be avoided during the fabrication and working processes, which often leads to the twist structure rotation (called untwisting effect) and twist pitch increasing. As a consequence, this untwisting behavior has a large effect on the effective Young's modulus. In this paper, we present an improved model based on the classical Costello's theory to predict the effective Young's modulus of the basic structure, twisted by three same copper strands under cyclic loading. Series of experiments were carried out to verify the present model taking into account the untwisting effect. The experimental results have better agreements with the presented model than the common Costello's model.
基金Project supported by the National Natural Science Foundation of china
文摘The velocity ratio of a free shear layer has an important influence on the spatial development of the large scale coherent structures in the layer. In this study, numerical simulations are performed to get an insight into this problem. The obtained numerical results agree quite well with those of a linear inviscid stability theory and the available experimental data.
文摘A new Monte Carlo simulation of the track structure of low-energy electrons (〈10keV) in liquid water is presented. The feature of the simulation is taken into consideration of the condensed-phase effect of liquid water on electron elastic scattering with the use of the Champion model, while the dielectric response formalism incorporating the optical-data model developed by Emfietzoglou et al. is applied for calculating the electron inelastic scattering. The spatial distributions of energy deposition and inelastic scattering events of low-energy electrons with different primary energies in liquid water are calculated and compared with other theoretical evaluations. The present work shows that the condensed-phase effect of liquid water on electron elastic scattering may be of the influence on the fraction of absorbed energy and distribution of inelastic scattering events at lower primary energies, which also indicate potential effects on the DNA damage induced by low-energy electrons.