Surface cell Madelung constant is firstly defined for calculating the surface free energy of nanosized crystal grains, which explains the physical performance of small crystals and may be greatly beneficial to the ana...Surface cell Madelung constant is firstly defined for calculating the surface free energy of nanosized crystal grains, which explains the physical performance of small crystals and may be greatly beneficial to the analysis of surface states and the study of the dynamics of crystal nucleation and growth. A new approximative expression of the surface energy and relevant thermodynamic data are used in this calculation. New formula and computing method for calculating the Madelung constant α of any complex crystals are proposed, and the surface free energies and surface electrostatic energies of nanosized crystal grains and the Madelung constant of some complex crystals are theoretically calculated in this paper. The surface free energy of nanosized-crystal-grain TiO2 and the surface electrostatic energy（absolute value） of nanosized-crystal-grain α-Al2O3 are found to be the biggest among all the crystal grains including those of other species.展开更多
Surface cell Madelung constant is firstly defined in calculating surface free energy of nanosized crystal grains, which explains the physical performance of small crystals and may be great benefit to make surface anal...Surface cell Madelung constant is firstly defined in calculating surface free energy of nanosized crystal grains, which explains the physical performance of small crystals and may be great benefit to make surface analysis and study dynamics of crystal nucleus growth. A new approximative expression of surface energy and relevant thermodynamic data was used in this calculation. A new formula and computing method for calculating the Madelung constant a of any complex crystals is proposed, and surface free energies and surface electrostatic energies of nanosized crystal grains as well as Madelung constant of some complex crystals are theoretically calculated in this paper. The surface free energy of nanosized crystal grain TiO2 and surface electrostatic energy（absolute value） of nanosized crystal grain α-A12O3 are found to be the biggest among other crystal grains.展开更多
To determine the nucleation region location of Si nano-crystal grains, pulsed laser ablation of Si target is performed in Ar gas of 10 Pa at room temperature with laser fluence of 4 J/cm2, the substrates are located h...To determine the nucleation region location of Si nano-crystal grains, pulsed laser ablation of Si target is performed in Ar gas of 10 Pa at room temperature with laser fluence of 4 J/cm2, the substrates are located horizontal under ablation spot with different vertical distance. Characteristics of deposited grains are described by scanning electron microscopy, Raman scattering and X-ray diffraction spectra, the results indicate that deposition position on substrates in a certain range is relative to target surface, which changes according to different vertical distance of substrates to ablation spot. Grain size increased?at first and then decreased with addition of lateral distances to target in the range, but the integral distribution rule was independent of position of substrates. Combining with hydrodynamics model, nucleation division model, thermokinetic equation and flat parabolic motion, spatial nucleation region location of grains is obtained through numerical calculations, which is 2.7 mm-43.2 mm to target surface along the plume axis.展开更多
A new technology for the crystallization of ammonium paratungstate with coarse grain has beenstudied. The factors influencing the physi-chemical properties of ammonium paratungstate crystal, such astemperature, concen...A new technology for the crystallization of ammonium paratungstate with coarse grain has beenstudied. The factors influencing the physi-chemical properties of ammonium paratungstate crystal, such astemperature, concentration, seed crystal, agitation. etc. were examined. It is necessary to keep high temperature and low concentration in the process. and the addition of seed crystal and agitation with air is also in favor of the system. Ammonium paratungstate crystal with particle size of 36-42 μm and apparent density of2. 0-2. 2 g·cm- 3 were obtained by controlling suitable technological parameters.展开更多
CuTCNQ organic films were prepared separately by spontaneous charge transfer(CT) reaction of Cu with TCNQ in an acetonitrile or thermally activated solid phase diffusion and CT reaction of an alternative vapor depos...CuTCNQ organic films were prepared separately by spontaneous charge transfer(CT) reaction of Cu with TCNQ in an acetonitrile or thermally activated solid phase diffusion and CT reaction of an alternative vapor deposition of Cu and TCNQ thin films. The m展开更多
A dynamic explicit finite element code and rate-dependent elastic-viscoplastic polycrystalline model were used to simulate the simple tension test of annealing FCC polycrystal and 6111-T4 aluminum alloy sheet metal. T...A dynamic explicit finite element code and rate-dependent elastic-viscoplastic polycrystalline model were used to simulate the simple tension test of annealing FCC polycrystal and 6111-T4 aluminum alloy sheet metal. The variability of flow stress was investigated, which was induced by various grain boundary constraints when the ratio of thickness-to-grain size was changed. The simulated results show that, when the relative grain size increases, the constraint of grain boundary will increase accordingly, which results in the increase of the flow stress of polycrystal. The results agree with experiments.展开更多
By combining grain boundary (GB) and its influence zone, a micromechanic model for polycrystal is established for considering the influence of GB. By using the crystal plasticity theory and the finite element method f...By combining grain boundary (GB) and its influence zone, a micromechanic model for polycrystal is established for considering the influence of GB. By using the crystal plasticity theory and the finite element method for finite deformation, numerical simulation is carried out by the model. Calculated results display the microscopic characteristic of deformation fields of grains and are in qualitative agreement with experimental results.展开更多
文摘Surface cell Madelung constant is firstly defined for calculating the surface free energy of nanosized crystal grains, which explains the physical performance of small crystals and may be greatly beneficial to the analysis of surface states and the study of the dynamics of crystal nucleation and growth. A new approximative expression of the surface energy and relevant thermodynamic data are used in this calculation. New formula and computing method for calculating the Madelung constant α of any complex crystals are proposed, and the surface free energies and surface electrostatic energies of nanosized crystal grains and the Madelung constant of some complex crystals are theoretically calculated in this paper. The surface free energy of nanosized-crystal-grain TiO2 and the surface electrostatic energy（absolute value） of nanosized-crystal-grain α-Al2O3 are found to be the biggest among all the crystal grains including those of other species.
文摘Surface cell Madelung constant is firstly defined in calculating surface free energy of nanosized crystal grains, which explains the physical performance of small crystals and may be great benefit to make surface analysis and study dynamics of crystal nucleus growth. A new approximative expression of surface energy and relevant thermodynamic data was used in this calculation. A new formula and computing method for calculating the Madelung constant a of any complex crystals is proposed, and surface free energies and surface electrostatic energies of nanosized crystal grains as well as Madelung constant of some complex crystals are theoretically calculated in this paper. The surface free energy of nanosized crystal grain TiO2 and surface electrostatic energy（absolute value） of nanosized crystal grain α-A12O3 are found to be the biggest among other crystal grains.
文摘To determine the nucleation region location of Si nano-crystal grains, pulsed laser ablation of Si target is performed in Ar gas of 10 Pa at room temperature with laser fluence of 4 J/cm2, the substrates are located horizontal under ablation spot with different vertical distance. Characteristics of deposited grains are described by scanning electron microscopy, Raman scattering and X-ray diffraction spectra, the results indicate that deposition position on substrates in a certain range is relative to target surface, which changes according to different vertical distance of substrates to ablation spot. Grain size increased?at first and then decreased with addition of lateral distances to target in the range, but the integral distribution rule was independent of position of substrates. Combining with hydrodynamics model, nucleation division model, thermokinetic equation and flat parabolic motion, spatial nucleation region location of grains is obtained through numerical calculations, which is 2.7 mm-43.2 mm to target surface along the plume axis.
文摘A new technology for the crystallization of ammonium paratungstate with coarse grain has beenstudied. The factors influencing the physi-chemical properties of ammonium paratungstate crystal, such astemperature, concentration, seed crystal, agitation. etc. were examined. It is necessary to keep high temperature and low concentration in the process. and the addition of seed crystal and agitation with air is also in favor of the system. Ammonium paratungstate crystal with particle size of 36-42 μm and apparent density of2. 0-2. 2 g·cm- 3 were obtained by controlling suitable technological parameters.
文摘CuTCNQ organic films were prepared separately by spontaneous charge transfer(CT) reaction of Cu with TCNQ in an acetonitrile or thermally activated solid phase diffusion and CT reaction of an alternative vapor deposition of Cu and TCNQ thin films. The m
基金Funded by Science Foundation for the Excellent Youth Scholars of Shanghai (No.gjd10028)
文摘A dynamic explicit finite element code and rate-dependent elastic-viscoplastic polycrystalline model were used to simulate the simple tension test of annealing FCC polycrystal and 6111-T4 aluminum alloy sheet metal. The variability of flow stress was investigated, which was induced by various grain boundary constraints when the ratio of thickness-to-grain size was changed. The simulated results show that, when the relative grain size increases, the constraint of grain boundary will increase accordingly, which results in the increase of the flow stress of polycrystal. The results agree with experiments.
文摘By combining grain boundary (GB) and its influence zone, a micromechanic model for polycrystal is established for considering the influence of GB. By using the crystal plasticity theory and the finite element method for finite deformation, numerical simulation is carried out by the model. Calculated results display the microscopic characteristic of deformation fields of grains and are in qualitative agreement with experimental results.
