Fluid-conveying pipe systems are widely used in various equipments to transport matter and energy.Due to the fluid–structure interaction effect,the fluid acting on the pipe wall is easy to produce strong vibration an...Fluid-conveying pipe systems are widely used in various equipments to transport matter and energy.Due to the fluid–structure interaction effect,the fluid acting on the pipe wall is easy to produce strong vibration and noise,which have a serious influence on the safety and concealment of the equipment.Based on the theory of phononic crystals,this paper studies the vibration transfer properties of a locally resonant(LR)pipe under the condition of fluid–structure interaction.The band structure and the vibration transfer properties of a finite periodic pipe are obtained by the transfer matrix method.Further,the different impact excitation and fluid–structure interaction effect on the frequency range of vibration attenuation properties of the LR pipe are mainly considered and calculated by the finite element model.The results show that the existence of a low-frequency vibration bandgap in the LR pipe can effectively suppress the vibration propagation under external impact and fluid impact excitation,and the vibration reduction frequency range is near the bandgap under the fluid–structure interaction effect.Finally,the pipe impact experiment was performed to verify the effective attenuation of the LR structure to the impact excitation,and to validate the finite element model.The research results provide a technical reference for the vibration control of the fluid-conveying pipe systems that need to consider blast load and fluid impact.展开更多
According to the theory of phononic crystals, the hydraulic pipeline is designed to be a periodic structure composed of steel pipes and hoses to suppress the vibration of the hydraulic system with band gaps. We presen...According to the theory of phononic crystals, the hydraulic pipeline is designed to be a periodic structure composed of steel pipes and hoses to suppress the vibration of the hydraulic system with band gaps. We present theoretical and experimental investigations into the flexural vibration transfer properties of a high-pressure periodic pipe with the force on the inner pipe wall by oii pressure taken into consideration. The results show that the vibration attenuation of periodic pipe decreases along with the elevation of working pressure for the hydraulic system, and the band gaps in low frequency ranges move towards high frequency ranges. The periodic pipe has good vibration attenuation performance in the frequency range below 1000 Hz and the vibration of the hydraulic system is effectively suppressed. A11 the results are validated by experiment. The experimental results show a good agreement with the numerical calculations, thus the flexural vibration transfer properties of the high- pressure periodic pipe can be precisely calculated by taking the fluid structure interaction between the pipe and oil into consideration. This study provides an effective way for the vibration control of the hydraulic system.展开更多
The structural, elastic, electronic, optical, and vibrational properties of the orthorhombic Pd2Ga compound are investigated using the norm-conserving pseudopotentials within the local density approximation in the fra...The structural, elastic, electronic, optical, and vibrational properties of the orthorhombic Pd2Ga compound are investigated using the norm-conserving pseudopotentials within the local density approximation in the frame of density functional theory. The calculated lattice parameters have been compared with the experimental values and found to be in good agreement with these results. The second-order elastic constants and the other relevant quantities, such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocity, and Debye temperature, have been calculated. It is shown that this compound is mechanically stable after analysing the calculated elastic constants. Furthermore, the real and imaginary parts of the dielectric function and the optical constants, such as the optical dielectric constant and the effective number of electrons per unit cell, are calculated and presented. The phonon dispersion curves are derived using the direct method. The present results demonstrate that this compound is dynamically stable.展开更多
The physical properties including structural,electronic,vibrational and thermodynamic properties of Zr1-xHfx Co(x is the concentration of constituent element Hf,and changes from 0 to 1) are investigated in terms of ...The physical properties including structural,electronic,vibrational and thermodynamic properties of Zr1-xHfx Co(x is the concentration of constituent element Hf,and changes from 0 to 1) are investigated in terms of the ABINIT program.The results reveal that all of Zr(1-x)Hfx Co have similar physical properties.When Hf concentration x gradually increases from 0.0 to 1.0,the lattice constant decreases from 3.217°A to 3.195°A very slowly.The calculated density of states(DOS)indicates that the metallic nature is enhanced and the electrical conductivity turns better with the increase of Hf.Moreover,as Hf concentration increases from 0 to 1,the Fermi energy gradually increases from-6.96 e V to-6.21 e V,and the electronic density of states at the Fermi level(N(Ef)) decreases from 2.795 electrons/e V f.u.down to 2.594 electrons/e V f.u.,both of which imply the decrease of chemical stability.The calculated vibrational properties show that the increase of Hf concentration from 0 to 1 causes the maximum vibrational frequency to decrease gradually from about 223 cm^-1 to 186 cm^-1,which suggests a lower dispersion gradient and lower phonon group velocities for these modes.Finally,the phonon related thermodynamic properties are obtained and discussed.展开更多
The structural, elastic, electronic, optical, and vibrational properties of cubic PdGa compound are investigated using the norm-conserving pseudopotentials within the local density approximation (LDA) in the framewo...The structural, elastic, electronic, optical, and vibrational properties of cubic PdGa compound are investigated using the norm-conserving pseudopotentials within the local density approximation (LDA) in the framework of the density functional theory. The calculated lattice constant has been compared with the experimental value and has been found to be in good agreement with experimental data. The obtained electronic band structures show that PdGa compound has no band gap. The second-order elastic constants have been calculated, and the other related quantities such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocities, and Debye temperature have also been estimated. Our calculated results of elastic constants show that this compound is mechanically stable. Furthermore, the real and imaginary parts of the dielectric function and the optical constants such as the electron energy-loss function, the optical dielectric constant and the effective number of electrons per unit cell are calculated and presented in the study. The phonon dispersion curves are also derived using the direct method.展开更多
We present a variational density-functional perturbation theory (DFPT) to investigate the lattice dynamics and vibra- tional properties of single crystal bismuth telluride material. The phonon dispersion curves and ...We present a variational density-functional perturbation theory (DFPT) to investigate the lattice dynamics and vibra- tional properties of single crystal bismuth telluride material. The phonon dispersion curves and phonon density of states (DOS) of the material were obtained. The phonon dispersions are divided into two fields by a phonon gap. In the lower field, atomic vibrations of both Bi and Te contribute to the DOS. In the higher field, most contributions come from Te atoms. The calculated Born effective charges and dielectric constants reveal a great anisotropy in the crystal. The largest Born effective charge generates a significant dynamic charge transferring along the c axis. By DFPT calculation, the greatest LO-TO splitting takes place in the infrared phonon modes and reaches 1.7 THz in the Brillouin zone center. The Raman spectra and peaks corresponding to respective atomic vibration modes were found to be in good agreement with the experimental data.展开更多
Body-centered tetragonal C4 (bct C4) is a new form of crystalline spa carbon, which is found to be transparent, dynamically stable at zero pressure and more stable than graphite beyond 18.6 GPa. Symmetry analysis of...Body-centered tetragonal C4 (bct C4) is a new form of crystalline spa carbon, which is found to be transparent, dynamically stable at zero pressure and more stable than graphite beyond 18.6 GPa. Symmetry analysis of the vibrational modes of bct C4 at Brillouin zone center is performed, Raman and infrared active modes are identified. The analysis results show that, different from cubic diamond and hexagonal diamond, there is an infrared active mode in bct C4. Based on first-principle method within the local density approximation, vibrational frequencies, Born effective charge tensors, and infrared absorption intensity of bct C4 are obtained. The vibrational modes of bct C4 are presented and compared with those of cubic diamond and hexagonal diamond in detail展开更多
The epoxy resin (E-51) was used as polymer matrix,conductive carbon black (CB) as conductive filler,and PZT was used to prepare a composite by curing.The effects of PZT and CB content on the properties of PZT/ CB/ EP ...The epoxy resin (E-51) was used as polymer matrix,conductive carbon black (CB) as conductive filler,and PZT was used to prepare a composite by curing.The effects of PZT and CB content on the properties of PZT/ CB/ EP piezoelectric composite were studied.When the PZT content reaches 40 wt%,the optimized vibration attenuation properties of PZT/CB/EP materials could be achieved with a loss factor of 0.9 from room temperature to 60 ℃.With the increase of PZT content,the bending strength of PZT/CB/EP piezoelectric composite vibration reduction material firstly increased from 45 MPa to 65 MPa and then decreased to 38 MPa.At room temperature,the dielectric constant increased from 7 to 50,and the dielectric loss increased from 0.1 to 0.5.展开更多
The present study proposed a floating multi-body wave energy converter composed of a floating central platform,multiple oscillating bodies and multiple actuating arms. The relative motions between the oscillating bodi...The present study proposed a floating multi-body wave energy converter composed of a floating central platform,multiple oscillating bodies and multiple actuating arms. The relative motions between the oscillating bodies and the floating central platform capture multi-point wave energy simultaneously. The converter was simplified as a forced vibration system with three degrees of freedom, namely two heave motions and one rotational motion. The expressions of the amplitude-frequency response and the wave energy capture width were deduced from the motion equations of the converter. Based on the built mathematical model, the effects of the PTO damping coefficient, the PTO elastic coefficient, the connection length between the oscillating body and central platform, and the total number of oscillating bodies on the performance of the wave energy converter were investigated. Numerical results indicate that the dynamical properties and the energy conversion efficiency are related not only to the incident wave circle frequency but also to the converter’s physical parameters and interior PTO coefficients. By adjusting the connection length, higher wave energy absorption efficiencies can be obtained. More oscillating bodies installed result in more stable floating central platform and higher wave energy conversion efficiency.展开更多
The possible geometrical structures and relative stabilities of semiconductor microclusters Ga\-\%n\%P\-\%n(n\%=1\_4) were studied by virtue of density functional calculations with generalized gradient approximation(B...The possible geometrical structures and relative stabilities of semiconductor microclusters Ga\-\%n\%P\-\%n(n\%=1\_4) were studied by virtue of density functional calculations with generalized gradient approximation(B3LYP). For the most stable isomers of Ga\-\%n\%P\-\%n(n\%=1\_4) clusters, the electronic structure, vibrational properties, dipole moment, polarizability and ionization potential were analyzed by means of HF, MP2, CISD and B3LYP methods with different basis sets.展开更多
The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predicted that the silicene (g...The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predicted that the silicene (germanene) structure with a small buckling of 0.44 ,~ (0.7/k) and bond lengths of 2.28 ,~ (2.44 .~) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene are characterized by a main peak at about 575 cm-1, namely the G-like peak. For germanene, the highest peak is at about 290 cm-1. Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm-1 for silicene and 270 cm-1 for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene.展开更多
In this work, we report a theoretical exploration of the ground-state electronic structures and molecular vibrational properties of a series of binuclear zirconium complexes in the framework of density functional theo...In this work, we report a theoretical exploration of the ground-state electronic structures and molecular vibrational properties of a series of binuclear zirconium complexes in the framework of density functional theory (DFT) employing the B3LYP hybrid functional. The calculated results reveal that the electronic structure of the complex [(η^5-C5Me5)2Zr]2(μ^2, η^2, η^2-N2) is unfavorable for hydrogenation due to the exclusion of side-on dinitrogen in the LUMO+ 1 molecular orbital as compared with the reactant 1 [(η^5-C5Me4H)2Zr]2(μ2,η^2,η^2-N2). Besides, the structural feature of the hypothetical intermediate 1′, [(η^5C5Me4H)2Zr]2(μ2,η^2, η^2-N2)-n2, clearly implies the possibility of further hydrogenation. In addition, the distinguishing of vibrational modes of experimental intermediate 2, [(η^5-C5Me4H)2ZrH]2(μ2,η^2,η^2-N2H2), indicates that the asymmetric stretching of Zr-N and Zr-H leads to dissociation. Moreover, the vibrational intensity of Zr-H is stronger than that of Zr-N. Therefore, it can be predicted that excess hydrogen atmosphere is necessary to ensure the dissociation of Zr-N bonds.展开更多
Along with the living environment,organisms have evolved structures that adapt to specific environments and have better mechanical properties.Bioinspired materials learn from nature and improve their mechanical proper...Along with the living environment,organisms have evolved structures that adapt to specific environments and have better mechanical properties.Bioinspired materials learn from nature and improve their mechanical properties by imitating the structure of living organisms.Based on the 4D printed shape memory polymer and the bioinspired design method,this research proposes a soft and hard phase hybrid bioinspired metamaterial with shape memory effect and programmable mechanical properties.Compared with traditional nacre-like materials,bioinspired materials have adjustable characteristics of mechanical properties,impact resistance,and low-frequency vibration isolation.First,based on the constitutive relation of SMP(Shape memory polymer)material and its numerical simu-lation,an intelligent bioinspired metamaterial is designed.Subsequently,the mechanical properties and vibration isola-tion behavior and adjustability performance of multi-scale bioinspired metamaterials are explained by experiments.Finally,the adjustable functional mechanism of the deforma-tion and vibration isolation of the bioinspired metamaterial is described.The research of these bioinspired metamaterials has broad application prospects in the fields of impact protection and low-frequency vibration absorption.展开更多
Ultrasonic vibration with different powers from 0 k W to 1.6 k W was applied during the tungsten inert gas welding-brazing of Mg/Ti.The microstructures,mechanical properties and corrosion resistance of the ultrasonic ...Ultrasonic vibration with different powers from 0 k W to 1.6 k W was applied during the tungsten inert gas welding-brazing of Mg/Ti.The microstructures,mechanical properties and corrosion resistance of the ultrasonic assisted tungsten inert gas(U-TIG) welded-brazed Mg/Ti joint were characterized.The results showed that,without being subjected to ultrasonic vibration,coarse columnar α-Mg grains occurred in the fusion zone of Mg/Ti joint.However,with ultrasonic power of 1.2 k W,the average grain size of columnar α-Mg grains was refined from 200 μm to about 50 μm and the tensile strength of joints increased^18% up to 228 MPa.Besides,high fraction of grain boundaries was introduced by grain refinement,contributing to improve the corrosion resistance in two ways:(i) accelerating the formation of Mg(OH)2protective layer and(ii) reducing the mismatch and disorder between Mg(OH)2 protective layer and Mg alloy surface.展开更多
The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz.Fe_(90)Zr_(10),Fe_(80)B_(20),Fe_(83)B_(17) and Fe_(80)P_(20).The thermodynamic and elasti...The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz.Fe_(90)Zr_(10),Fe_(80)B_(20),Fe_(83)B_(17) and Fe_(80)P_(20).The thermodynamic and elastic properties are also computed from the elastic limits of the phonon dispersion curves(PDC).Three theoretical approaches given by Hubbard-Beeby(HB),Takeno-Goda(TG)and Bhatia-Singh(BS)are used in the present study to compute the PDC.Six local field correction functions proposed by Hartree(H),Taylor(T),Ichimaru-Utsumi(IU),Farid et al.(F)and Sarkar et al.(S)and Sarkar et al.’s local field factor(SLFF)based excgange and correlation function are employed to see the effect of exchange and correlation in the aforesaid properties.展开更多
The vibration characteristics of composite vertical stabilizer skin structures play a critical role in damping effects designed for overcoming the air disturbances experienced by aircraft structural components during ...The vibration characteristics of composite vertical stabilizer skin structures play a critical role in damping effects designed for overcoming the air disturbances experienced by aircraft structural components during flight.The first-order fundamental frequencies and their corresponding damping characteristics of the vertical stabilizer skin structure tow-steered by automatic fiber placement technique were optimized with the parameterized trajectories and plies as design variables.Firstly,the vibration and damping numerical models were derived based on Kirchhoff laminate theory,the Rayleigh-Ritz method,and the Strain Energy Method.Then the optimization model was developed by adopting the self-adaptive Differential Evolution Multi-objective optimization algorithm and incorporating the solution method of Pareto Front.The constraints of this optimization model considered the experimentally obtained minimum turning radius of prepregs tow-steered in automatic fiber placement process obtained from experimental tests.Finally,the comparison of numerical simulation results was conducted for the optimized trajectories and the conventional straight trajectories under various boundary conditions,and the numerical results were partially validated through damping and frequency tests.The results indicate the vibration characteristics of the composite vertical stabilizer skin structure can be enhanced to a large extent by optimizing fiber trajectories,and the enhancement percentage is affected by the boundary conditions of the actual structure.展开更多
A new homemade apparatus, i.e. vibration assisted extrusion equipment, is employed to extrude polypropylene. Vibration assisted extrusion is based on the application of a specific macroscopic shear vibration field. Re...A new homemade apparatus, i.e. vibration assisted extrusion equipment, is employed to extrude polypropylene. Vibration assisted extrusion is based on the application of a specific macroscopic shear vibration field. Reduction of apparent melt viscosity as a function of vibration frequency is measured at different screw speeds and die temperatures. The effect of the process is investigated by performing mechanical tests, differential scanning calorimetry studies, polarized light microscopy and wide-angle X-ray diffraction. It is found that, compared with conventional extrusion, vibration assisted extrusion could effectively improve the rheological properties of PP melt by incorporating an extra shear vibration field. Both the tensile strength and elongation at break increased under the shear vibration field. For vibration assisted extrusion samples, both the melting temperature and crystallinity increased, accompanied by remarkable grain refinement. Vibration assisted extrusion induced a significantly enhanced bimodal orientation with a high fraction of a^*-oriented α-crystallites, while only a limited improvement in the flow direction orientation. A structural model, i.e. bimodal c-axis and a^*-axis orientation of PP macromolecular chains, was adopted to explain the experimental results.展开更多
A facile and green synthetic approach for fabrication of starch-stabilized magnetite nanoparticles was implemented at moderate temperature. This synthesis involved the use of iron salts, potato starch,sodium hydroxide...A facile and green synthetic approach for fabrication of starch-stabilized magnetite nanoparticles was implemented at moderate temperature. This synthesis involved the use of iron salts, potato starch,sodium hydroxide and deionized water as iron precursors, stabilizer, reducing agent and solvent respectively. The nanoparticles(NPs) were characterized by UV-vis, PXRD, HR-TEM, FESEM, EDX, VSM and FT-IR spectroscopy. The ultrasonic assisted co-precipitation technique provides well formation of highly distributed starch/Fe3O4-NPs. Based on UV–vis analysis, the sample showed the characteristic of surface plasmon resonance in the presence of Fe3O4-NPs. The PXRD pattern depicted the characteristic of the cubic lattice structure of Fe3O4-NPs. HR-TEM analysis showed the good dispersion of NPs with a mean diameter and standard deviation of 10.68 4.207 nm. The d spacing measured from the lattice images were found to be around 0.30 nm and 0.52 nm attributed to the Fe3O4 and starch, respectively. FESEM analysis confirmed the formation of spherical starch/Fe3O4-NPs with the emission of elements of C, O and Fe by EDX analysis. The magnetic properties illustrated by VSM analysis indicated that the as synthesized sample has a saturation magnetization and coercivity of 5.30 emu/g and 22.898 G respectively.Additionally, the FTIR analysis confirmed the binding of starch with Fe3O4-NPs. This method was cost effective, facile and eco-friendly alternative for preparation of NPs.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.11872371)Major Program of the National Natural Science Foundation of China(Grant Nos.11991032 and 11991034).
文摘Fluid-conveying pipe systems are widely used in various equipments to transport matter and energy.Due to the fluid–structure interaction effect,the fluid acting on the pipe wall is easy to produce strong vibration and noise,which have a serious influence on the safety and concealment of the equipment.Based on the theory of phononic crystals,this paper studies the vibration transfer properties of a locally resonant(LR)pipe under the condition of fluid–structure interaction.The band structure and the vibration transfer properties of a finite periodic pipe are obtained by the transfer matrix method.Further,the different impact excitation and fluid–structure interaction effect on the frequency range of vibration attenuation properties of the LR pipe are mainly considered and calculated by the finite element model.The results show that the existence of a low-frequency vibration bandgap in the LR pipe can effectively suppress the vibration propagation under external impact and fluid impact excitation,and the vibration reduction frequency range is near the bandgap under the fluid–structure interaction effect.Finally,the pipe impact experiment was performed to verify the effective attenuation of the LR structure to the impact excitation,and to validate the finite element model.The research results provide a technical reference for the vibration control of the fluid-conveying pipe systems that need to consider blast load and fluid impact.
文摘According to the theory of phononic crystals, the hydraulic pipeline is designed to be a periodic structure composed of steel pipes and hoses to suppress the vibration of the hydraulic system with band gaps. We present theoretical and experimental investigations into the flexural vibration transfer properties of a high-pressure periodic pipe with the force on the inner pipe wall by oii pressure taken into consideration. The results show that the vibration attenuation of periodic pipe decreases along with the elevation of working pressure for the hydraulic system, and the band gaps in low frequency ranges move towards high frequency ranges. The periodic pipe has good vibration attenuation performance in the frequency range below 1000 Hz and the vibration of the hydraulic system is effectively suppressed. A11 the results are validated by experiment. The experimental results show a good agreement with the numerical calculations, thus the flexural vibration transfer properties of the high- pressure periodic pipe can be precisely calculated by taking the fluid structure interaction between the pipe and oil into consideration. This study provides an effective way for the vibration control of the hydraulic system.
文摘The structural, elastic, electronic, optical, and vibrational properties of the orthorhombic Pd2Ga compound are investigated using the norm-conserving pseudopotentials within the local density approximation in the frame of density functional theory. The calculated lattice parameters have been compared with the experimental values and found to be in good agreement with these results. The second-order elastic constants and the other relevant quantities, such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocity, and Debye temperature, have been calculated. It is shown that this compound is mechanically stable after analysing the calculated elastic constants. Furthermore, the real and imaginary parts of the dielectric function and the optical constants, such as the optical dielectric constant and the effective number of electrons per unit cell, are calculated and presented. The phonon dispersion curves are derived using the direct method. The present results demonstrate that this compound is dynamically stable.
基金Project supported by the National Natural Science Foundation of China(Grant No.21573200)
文摘The physical properties including structural,electronic,vibrational and thermodynamic properties of Zr1-xHfx Co(x is the concentration of constituent element Hf,and changes from 0 to 1) are investigated in terms of the ABINIT program.The results reveal that all of Zr(1-x)Hfx Co have similar physical properties.When Hf concentration x gradually increases from 0.0 to 1.0,the lattice constant decreases from 3.217°A to 3.195°A very slowly.The calculated density of states(DOS)indicates that the metallic nature is enhanced and the electrical conductivity turns better with the increase of Hf.Moreover,as Hf concentration increases from 0 to 1,the Fermi energy gradually increases from-6.96 e V to-6.21 e V,and the electronic density of states at the Fermi level(N(Ef)) decreases from 2.795 electrons/e V f.u.down to 2.594 electrons/e V f.u.,both of which imply the decrease of chemical stability.The calculated vibrational properties show that the increase of Hf concentration from 0 to 1 causes the maximum vibrational frequency to decrease gradually from about 223 cm^-1 to 186 cm^-1,which suggests a lower dispersion gradient and lower phonon group velocities for these modes.Finally,the phonon related thermodynamic properties are obtained and discussed.
文摘The structural, elastic, electronic, optical, and vibrational properties of cubic PdGa compound are investigated using the norm-conserving pseudopotentials within the local density approximation (LDA) in the framework of the density functional theory. The calculated lattice constant has been compared with the experimental value and has been found to be in good agreement with experimental data. The obtained electronic band structures show that PdGa compound has no band gap. The second-order elastic constants have been calculated, and the other related quantities such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocities, and Debye temperature have also been estimated. Our calculated results of elastic constants show that this compound is mechanically stable. Furthermore, the real and imaginary parts of the dielectric function and the optical constants such as the electron energy-loss function, the optical dielectric constant and the effective number of electrons per unit cell are calculated and presented in the study. The phonon dispersion curves are also derived using the direct method.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.50971101 and 51074127)the Research Fund of the State Key Laboratory of Solidification Processing(NPU)of China(Grant No.SKLSP201010)
文摘We present a variational density-functional perturbation theory (DFPT) to investigate the lattice dynamics and vibra- tional properties of single crystal bismuth telluride material. The phonon dispersion curves and phonon density of states (DOS) of the material were obtained. The phonon dispersions are divided into two fields by a phonon gap. In the lower field, atomic vibrations of both Bi and Te contribute to the DOS. In the higher field, most contributions come from Te atoms. The calculated Born effective charges and dielectric constants reveal a great anisotropy in the crystal. The largest Born effective charge generates a significant dynamic charge transferring along the c axis. By DFPT calculation, the greatest LO-TO splitting takes place in the infrared phonon modes and reaches 1.7 THz in the Brillouin zone center. The Raman spectra and peaks corresponding to respective atomic vibration modes were found to be in good agreement with the experimental data.
文摘Body-centered tetragonal C4 (bct C4) is a new form of crystalline spa carbon, which is found to be transparent, dynamically stable at zero pressure and more stable than graphite beyond 18.6 GPa. Symmetry analysis of the vibrational modes of bct C4 at Brillouin zone center is performed, Raman and infrared active modes are identified. The analysis results show that, different from cubic diamond and hexagonal diamond, there is an infrared active mode in bct C4. Based on first-principle method within the local density approximation, vibrational frequencies, Born effective charge tensors, and infrared absorption intensity of bct C4 are obtained. The vibrational modes of bct C4 are presented and compared with those of cubic diamond and hexagonal diamond in detail
基金Funded by State Key Laboratory of Power Grid Environmental Protection(No.GYW51201801173)。
文摘The epoxy resin (E-51) was used as polymer matrix,conductive carbon black (CB) as conductive filler,and PZT was used to prepare a composite by curing.The effects of PZT and CB content on the properties of PZT/ CB/ EP piezoelectric composite were studied.When the PZT content reaches 40 wt%,the optimized vibration attenuation properties of PZT/CB/EP materials could be achieved with a loss factor of 0.9 from room temperature to 60 ℃.With the increase of PZT content,the bending strength of PZT/CB/EP piezoelectric composite vibration reduction material firstly increased from 45 MPa to 65 MPa and then decreased to 38 MPa.At room temperature,the dielectric constant increased from 7 to 50,and the dielectric loss increased from 0.1 to 0.5.
基金financially supported by the National Natural Science Foundation of China(Grant No.51779104)the Natural Science Foundation of Fujian Province,China(Grant Nos.2016J01247 and 2016J01245)+1 种基金the New Century Talent Support Program of Fujian Province,China(Grant No.JA13170)the Foreign Cooperation Program of Fujian Province,China(Grant No.2016I010003)
文摘The present study proposed a floating multi-body wave energy converter composed of a floating central platform,multiple oscillating bodies and multiple actuating arms. The relative motions between the oscillating bodies and the floating central platform capture multi-point wave energy simultaneously. The converter was simplified as a forced vibration system with three degrees of freedom, namely two heave motions and one rotational motion. The expressions of the amplitude-frequency response and the wave energy capture width were deduced from the motion equations of the converter. Based on the built mathematical model, the effects of the PTO damping coefficient, the PTO elastic coefficient, the connection length between the oscillating body and central platform, and the total number of oscillating bodies on the performance of the wave energy converter were investigated. Numerical results indicate that the dynamical properties and the energy conversion efficiency are related not only to the incident wave circle frequency but also to the converter’s physical parameters and interior PTO coefficients. By adjusting the connection length, higher wave energy absorption efficiencies can be obtained. More oscillating bodies installed result in more stable floating central platform and higher wave energy conversion efficiency.
基金Supported by the West Visiting Scholar Foundation of the Educational Ministry of China and the Natiional NaturalScience Foundation of China(No.10 3470 0 7)
文摘The possible geometrical structures and relative stabilities of semiconductor microclusters Ga\-\%n\%P\-\%n(n\%=1\_4) were studied by virtue of density functional calculations with generalized gradient approximation(B3LYP). For the most stable isomers of Ga\-\%n\%P\-\%n(n\%=1\_4) clusters, the electronic structure, vibrational properties, dipole moment, polarizability and ionization potential were analyzed by means of HF, MP2, CISD and B3LYP methods with different basis sets.
文摘The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predicted that the silicene (germanene) structure with a small buckling of 0.44 ,~ (0.7/k) and bond lengths of 2.28 ,~ (2.44 .~) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene are characterized by a main peak at about 575 cm-1, namely the G-like peak. For germanene, the highest peak is at about 290 cm-1. Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm-1 for silicene and 270 cm-1 for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene.
基金Supported by the National Natural Science Foundation of China (No. 20573114)MOST Project of 2006DFA43020 and 2007CB815307
文摘In this work, we report a theoretical exploration of the ground-state electronic structures and molecular vibrational properties of a series of binuclear zirconium complexes in the framework of density functional theory (DFT) employing the B3LYP hybrid functional. The calculated results reveal that the electronic structure of the complex [(η^5-C5Me5)2Zr]2(μ^2, η^2, η^2-N2) is unfavorable for hydrogenation due to the exclusion of side-on dinitrogen in the LUMO+ 1 molecular orbital as compared with the reactant 1 [(η^5-C5Me4H)2Zr]2(μ2,η^2,η^2-N2). Besides, the structural feature of the hypothetical intermediate 1′, [(η^5C5Me4H)2Zr]2(μ2,η^2, η^2-N2)-n2, clearly implies the possibility of further hydrogenation. In addition, the distinguishing of vibrational modes of experimental intermediate 2, [(η^5-C5Me4H)2ZrH]2(μ2,η^2,η^2-N2H2), indicates that the asymmetric stretching of Zr-N and Zr-H leads to dissociation. Moreover, the vibrational intensity of Zr-H is stronger than that of Zr-N. Therefore, it can be predicted that excess hydrogen atmosphere is necessary to ensure the dissociation of Zr-N bonds.
基金National Natural Science Foundation of China[52225108,52171290 and 12202065]。
文摘Along with the living environment,organisms have evolved structures that adapt to specific environments and have better mechanical properties.Bioinspired materials learn from nature and improve their mechanical properties by imitating the structure of living organisms.Based on the 4D printed shape memory polymer and the bioinspired design method,this research proposes a soft and hard phase hybrid bioinspired metamaterial with shape memory effect and programmable mechanical properties.Compared with traditional nacre-like materials,bioinspired materials have adjustable characteristics of mechanical properties,impact resistance,and low-frequency vibration isolation.First,based on the constitutive relation of SMP(Shape memory polymer)material and its numerical simu-lation,an intelligent bioinspired metamaterial is designed.Subsequently,the mechanical properties and vibration isola-tion behavior and adjustability performance of multi-scale bioinspired metamaterials are explained by experiments.Finally,the adjustable functional mechanism of the deforma-tion and vibration isolation of the bioinspired metamaterial is described.The research of these bioinspired metamaterials has broad application prospects in the fields of impact protection and low-frequency vibration absorption.
基金financially supported by the National Natural Science Foundation of China(No.51205428)the Fundamental Research Funds for the Central Universities(Nos.CDJZR13130040and CDJZR12130047)
文摘Ultrasonic vibration with different powers from 0 k W to 1.6 k W was applied during the tungsten inert gas welding-brazing of Mg/Ti.The microstructures,mechanical properties and corrosion resistance of the ultrasonic assisted tungsten inert gas(U-TIG) welded-brazed Mg/Ti joint were characterized.The results showed that,without being subjected to ultrasonic vibration,coarse columnar α-Mg grains occurred in the fusion zone of Mg/Ti joint.However,with ultrasonic power of 1.2 k W,the average grain size of columnar α-Mg grains was refined from 200 μm to about 50 μm and the tensile strength of joints increased^18% up to 228 MPa.Besides,high fraction of grain boundaries was introduced by grain refinement,contributing to improve the corrosion resistance in two ways:(i) accelerating the formation of Mg(OH)2protective layer and(ii) reducing the mismatch and disorder between Mg(OH)2 protective layer and Mg alloy surface.
文摘The well recognized model potential is used to investigate the vibrational properties of four Fe-based binary glassy alloys viz.Fe_(90)Zr_(10),Fe_(80)B_(20),Fe_(83)B_(17) and Fe_(80)P_(20).The thermodynamic and elastic properties are also computed from the elastic limits of the phonon dispersion curves(PDC).Three theoretical approaches given by Hubbard-Beeby(HB),Takeno-Goda(TG)and Bhatia-Singh(BS)are used in the present study to compute the PDC.Six local field correction functions proposed by Hartree(H),Taylor(T),Ichimaru-Utsumi(IU),Farid et al.(F)and Sarkar et al.(S)and Sarkar et al.’s local field factor(SLFF)based excgange and correlation function are employed to see the effect of exchange and correlation in the aforesaid properties.
基金co-supported by the National Natural Science Foundation of China(Nos.51875159,52175311,52175133,12102115,52005446)the Fok Ying Tung Education Foundation,China(No.171046)the Fundamental Research Funds for the Central Universities,China(Nos.JZ2021HGTA0178,JZ2020HGQA0197)。
文摘The vibration characteristics of composite vertical stabilizer skin structures play a critical role in damping effects designed for overcoming the air disturbances experienced by aircraft structural components during flight.The first-order fundamental frequencies and their corresponding damping characteristics of the vertical stabilizer skin structure tow-steered by automatic fiber placement technique were optimized with the parameterized trajectories and plies as design variables.Firstly,the vibration and damping numerical models were derived based on Kirchhoff laminate theory,the Rayleigh-Ritz method,and the Strain Energy Method.Then the optimization model was developed by adopting the self-adaptive Differential Evolution Multi-objective optimization algorithm and incorporating the solution method of Pareto Front.The constraints of this optimization model considered the experimentally obtained minimum turning radius of prepregs tow-steered in automatic fiber placement process obtained from experimental tests.Finally,the comparison of numerical simulation results was conducted for the optimized trajectories and the conventional straight trajectories under various boundary conditions,and the numerical results were partially validated through damping and frequency tests.The results indicate the vibration characteristics of the composite vertical stabilizer skin structure can be enhanced to a large extent by optimizing fiber trajectories,and the enhancement percentage is affected by the boundary conditions of the actual structure.
基金financially supported by the National Natural Science Foundation of China(Nos.51033004 and 51121001)China Postdoctoral Science Foundation(No.2013M540711)
文摘A new homemade apparatus, i.e. vibration assisted extrusion equipment, is employed to extrude polypropylene. Vibration assisted extrusion is based on the application of a specific macroscopic shear vibration field. Reduction of apparent melt viscosity as a function of vibration frequency is measured at different screw speeds and die temperatures. The effect of the process is investigated by performing mechanical tests, differential scanning calorimetry studies, polarized light microscopy and wide-angle X-ray diffraction. It is found that, compared with conventional extrusion, vibration assisted extrusion could effectively improve the rheological properties of PP melt by incorporating an extra shear vibration field. Both the tensile strength and elongation at break increased under the shear vibration field. For vibration assisted extrusion samples, both the melting temperature and crystallinity increased, accompanied by remarkable grain refinement. Vibration assisted extrusion induced a significantly enhanced bimodal orientation with a high fraction of a^*-oriented α-crystallites, while only a limited improvement in the flow direction orientation. A structural model, i.e. bimodal c-axis and a^*-axis orientation of PP macromolecular chains, was adopted to explain the experimental results.
基金supported by the Malaysian Ministry of High Education and Universiti Teknologi Malaysia (UTM) under Tier 1 grant (No. Q.K130000.2543.12H95)
文摘A facile and green synthetic approach for fabrication of starch-stabilized magnetite nanoparticles was implemented at moderate temperature. This synthesis involved the use of iron salts, potato starch,sodium hydroxide and deionized water as iron precursors, stabilizer, reducing agent and solvent respectively. The nanoparticles(NPs) were characterized by UV-vis, PXRD, HR-TEM, FESEM, EDX, VSM and FT-IR spectroscopy. The ultrasonic assisted co-precipitation technique provides well formation of highly distributed starch/Fe3O4-NPs. Based on UV–vis analysis, the sample showed the characteristic of surface plasmon resonance in the presence of Fe3O4-NPs. The PXRD pattern depicted the characteristic of the cubic lattice structure of Fe3O4-NPs. HR-TEM analysis showed the good dispersion of NPs with a mean diameter and standard deviation of 10.68 4.207 nm. The d spacing measured from the lattice images were found to be around 0.30 nm and 0.52 nm attributed to the Fe3O4 and starch, respectively. FESEM analysis confirmed the formation of spherical starch/Fe3O4-NPs with the emission of elements of C, O and Fe by EDX analysis. The magnetic properties illustrated by VSM analysis indicated that the as synthesized sample has a saturation magnetization and coercivity of 5.30 emu/g and 22.898 G respectively.Additionally, the FTIR analysis confirmed the binding of starch with Fe3O4-NPs. This method was cost effective, facile and eco-friendly alternative for preparation of NPs.