The adsorption and the growth of ZnO on α-Al2O3（0001） surface at various temperatures were theoretically calculated by using a plane wave pseudopotentials （USP） method based on density functional theory.The avera...The adsorption and the growth of ZnO on α-Al2O3（0001） surface at various temperatures were theoretically calculated by using a plane wave pseudopotentials （USP） method based on density functional theory.The average adsorption energy of ZnO at 400, 600 and 800 ℃ is 4.16±0.08, 4.25±0.11 and 4.05±0.23 eV respectively. Temperature has a remarkable effect on the structure of the surface and the interface of ZnO/α-Al2O3（0001）. It is found that the Zn-hexagonal symmetry deflexion does not appear during the adsorption growth of ZnO at 400 ℃, and that the ZnO[10^-10] is parallel with the [10^-10] of the α-Al2O3（0001）, which is favorable for forming ZnO film with the Zn-terminated surface. It is observed from simulation that there are two kinds of surface structures in the adsorption of ZnO at 600 ℃： one is the ZnO surface that has the Zn-terminated structure, and whose [10^-10] parallels the [10^-10] of the substrate surface, and the other is the ZnO[10^-10] //sapphire [11-20] with the O-terminated surface. The energy barrier of the phase transition between these two different surface structures is about 1.6 eV, and the latter is more stable. Therefore,the suitable temperature for the thin film growth of ZnO on sapphire is about 600 ℃, and it facilitates the formation of wurtzite structure containing Zn-O-Zn-O-Zn-O double-layers as a growth unit-cell. At 600 ℃, the average bond length of Zn-O is 0.190±0.01 nm, and the ELF value indicates that the bond of （substrate）-O-Zn-O has a distinct covalent character, whereas the （Zn）O-Al （substrate） shows a clear character of ionic bond. However, at a temperature of 800 ℃, the dissociation of Al and O atoms on the surface of the α-Al2O3（0001） leads to a disordered surface and interface structure. Thus, the Zn-hexagonal symmetry structure of the ZnO film is not observed under this condition.展开更多
Hydrogenated microcrystalline silicon （~c-Si：H） films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition （HWCVD）. The growth-front roughening processes of the μc-Si..H fil...Hydrogenated microcrystalline silicon （~c-Si：H） films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition （HWCVD）. The growth-front roughening processes of the μc-Si..H films were investi- gated by atomic force microscopy. According to the scaling theory, the growth exponent β≈0.67, the roughness exponent α≈0.80,and the dynamic exponent 1/z = 0.40 are obtained. These scaling exponents cannot be explained well by the known growth models. An attempt at Monte Carlo simulation has been made to describe the growth process of μc-Si： H film using a particle reemission model where the incident flux distribution,the type and concentration of growth radical, and sticking,reemission,shadowing mechanisms all contributed to the growing morphology.展开更多
以Aron and Stommel提出的混合长度理论为基础,采用韩曾萃将其应用于钱塘江河口的潮泛系数的推导公式,分析了在钱塘江河口在治江围涂后氯度的日平均值、日最大值及其年际变化,利用1994~1999年的实测资料对江道特性参数K进行了重新率定,...以Aron and Stommel提出的混合长度理论为基础,采用韩曾萃将其应用于钱塘江河口的潮泛系数的推导公式,分析了在钱塘江河口在治江围涂后氯度的日平均值、日最大值及其年际变化,利用1994~1999年的实测资料对江道特性参数K进行了重新率定,并经2000~2005年连续6年实测资料进行了验证,表明钱塘江沿程氯度的计算值和实测值吻合较好,也就是说可采用重新率定后的K（=400）值,对钱塘江河口治江围凃后盐水入侵进行年际预报。展开更多
Parametric instability of a riser is caused by fluctuation of its tension in time due to the heave motion of floating platform. Many studies have tackled the problem of parametric instability of a riser with constant ...Parametric instability of a riser is caused by fluctuation of its tension in time due to the heave motion of floating platform. Many studies have tackled the problem of parametric instability of a riser with constant tension. However, tension in the riser actually varies linearly from the top to the bottom due to the effect of gravity. This paper presents the parametric instability analysis of deepwater top-tensioned risers(TTR) considering the linearly varying tension along the length. Firstly, the governing equation of transverse motion of TTR under parametric excitation is established. This equation is reduced to a system of ordinary differential equations by using the Galerkin method. Then the parametric instability of TTR for three calculation models are investigated by applying the Floquet theory. The results show that the natural frequencies of TTR with variable tension are evidently reduced, the parametric instability zones are significantly increased and the maximum allowable amplitude of platform heave is much smaller under the same damping; The nodes and antinodes of mode shape are no longer uniformly distributed along the axial direction and the amplitude also changes with depth, which leads to coupling between the modes. The combination resonance phenomenon occurs as a result of mode coupling, which causes more serious damage.展开更多
Based on the blasting theory and stress wave theory, stemming mechanism and movement of stemmed material in rock blasting were analyzed and the calculation expression of stemming lengths was deduced. The blasting expe...Based on the blasting theory and stress wave theory, stemming mechanism and movement of stemmed material in rock blasting were analyzed and the calculation expression of stemming lengths was deduced. The blasting experiment with different stemming lengths was carried out and the results show that the theoretical stemming length, which is 0.73 ~ 0.8 time of burden, is in the range of the experiential length, which is O. 63 - O. 88 time of burden. The blasting results of field experiments with theoretical stemming length are satisfactory, which shows the theoretical derivation and analysis are correct and reliable. The results will supply rock blasting with the theoretical gist of parameters design.展开更多
In this work,highly monodispersed Pt-Ni alloy nanoparticles were directly deposited on carbon substrate through a facile electrodeposition strategy in the solvent system of N,N-dimethylformamide(DMF).A series of carbo...In this work,highly monodispersed Pt-Ni alloy nanoparticles were directly deposited on carbon substrate through a facile electrodeposition strategy in the solvent system of N,N-dimethylformamide(DMF).A series of carbon supported Pt-Ni alloy electrocatalysts were synthesized under different applied electrode potentials.Among all as-obtained samples,the Pt-Ni/C electrocatalyst deposited at-1.73 V exhibits the optimal specific activity up to 1.850 mA cm^(-2)at 0.9 V vs.RHE,which is 6.85 times higher than that of the commercial Pt/C.Comprehensive physiochemical characterizations and computational evaluations via density functional theory were conducted to unveil the nucleation and growth mechanism of PtNi alloy formation.Compared to the aqueous solution,DMF solvent molecule must not be neglected in avoiding particle agglomeration and synthesis of monodispersed nanoparticles.During the alloy co-deposition process,Ni sites produced through the reduction of Ni(Ⅱ)precursor not only facilitates Pt-Ni alloy crystal nucleation but also in favor of further Pt reduction on the Ni-inserted Pt surface.As for the deposition potential,it adjusts the final particle size.This work provides a hopeful extended Pt-based catalyst layer production strategy for proton exchange membrane fuel cells and a new idea for the nucleation and growth mechanism exploration for electrodeposited Pt alloy.展开更多
文摘The adsorption and the growth of ZnO on α-Al2O3（0001） surface at various temperatures were theoretically calculated by using a plane wave pseudopotentials （USP） method based on density functional theory.The average adsorption energy of ZnO at 400, 600 and 800 ℃ is 4.16±0.08, 4.25±0.11 and 4.05±0.23 eV respectively. Temperature has a remarkable effect on the structure of the surface and the interface of ZnO/α-Al2O3（0001）. It is found that the Zn-hexagonal symmetry deflexion does not appear during the adsorption growth of ZnO at 400 ℃, and that the ZnO[10^-10] is parallel with the [10^-10] of the α-Al2O3（0001）, which is favorable for forming ZnO film with the Zn-terminated surface. It is observed from simulation that there are two kinds of surface structures in the adsorption of ZnO at 600 ℃： one is the ZnO surface that has the Zn-terminated structure, and whose [10^-10] parallels the [10^-10] of the substrate surface, and the other is the ZnO[10^-10] //sapphire [11-20] with the O-terminated surface. The energy barrier of the phase transition between these two different surface structures is about 1.6 eV, and the latter is more stable. Therefore,the suitable temperature for the thin film growth of ZnO on sapphire is about 600 ℃, and it facilitates the formation of wurtzite structure containing Zn-O-Zn-O-Zn-O double-layers as a growth unit-cell. At 600 ℃, the average bond length of Zn-O is 0.190±0.01 nm, and the ELF value indicates that the bond of （substrate）-O-Zn-O has a distinct covalent character, whereas the （Zn）O-Al （substrate） shows a clear character of ionic bond. However, at a temperature of 800 ℃, the dissociation of Al and O atoms on the surface of the α-Al2O3（0001） leads to a disordered surface and interface structure. Thus, the Zn-hexagonal symmetry structure of the ZnO film is not observed under this condition.
文摘Hydrogenated microcrystalline silicon （~c-Si：H） films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition （HWCVD）. The growth-front roughening processes of the μc-Si..H films were investi- gated by atomic force microscopy. According to the scaling theory, the growth exponent β≈0.67, the roughness exponent α≈0.80,and the dynamic exponent 1/z = 0.40 are obtained. These scaling exponents cannot be explained well by the known growth models. An attempt at Monte Carlo simulation has been made to describe the growth process of μc-Si： H film using a particle reemission model where the incident flux distribution,the type and concentration of growth radical, and sticking,reemission,shadowing mechanisms all contributed to the growing morphology.
文摘以Aron and Stommel提出的混合长度理论为基础,采用韩曾萃将其应用于钱塘江河口的潮泛系数的推导公式,分析了在钱塘江河口在治江围涂后氯度的日平均值、日最大值及其年际变化,利用1994~1999年的实测资料对江道特性参数K进行了重新率定,并经2000~2005年连续6年实测资料进行了验证,表明钱塘江沿程氯度的计算值和实测值吻合较好,也就是说可采用重新率定后的K（=400）值,对钱塘江河口治江围凃后盐水入侵进行年际预报。
基金supported by the National Natural Science Foundation of China (51239008, 51279130, 51079097)Science Fund for Creative Research Groups of the National Natural Science Foundation of China (51021004)
文摘Parametric instability of a riser is caused by fluctuation of its tension in time due to the heave motion of floating platform. Many studies have tackled the problem of parametric instability of a riser with constant tension. However, tension in the riser actually varies linearly from the top to the bottom due to the effect of gravity. This paper presents the parametric instability analysis of deepwater top-tensioned risers(TTR) considering the linearly varying tension along the length. Firstly, the governing equation of transverse motion of TTR under parametric excitation is established. This equation is reduced to a system of ordinary differential equations by using the Galerkin method. Then the parametric instability of TTR for three calculation models are investigated by applying the Floquet theory. The results show that the natural frequencies of TTR with variable tension are evidently reduced, the parametric instability zones are significantly increased and the maximum allowable amplitude of platform heave is much smaller under the same damping; The nodes and antinodes of mode shape are no longer uniformly distributed along the axial direction and the amplitude also changes with depth, which leads to coupling between the modes. The combination resonance phenomenon occurs as a result of mode coupling, which causes more serious damage.
文摘Based on the blasting theory and stress wave theory, stemming mechanism and movement of stemmed material in rock blasting were analyzed and the calculation expression of stemming lengths was deduced. The blasting experiment with different stemming lengths was carried out and the results show that the theoretical stemming length, which is 0.73 ~ 0.8 time of burden, is in the range of the experiential length, which is O. 63 - O. 88 time of burden. The blasting results of field experiments with theoretical stemming length are satisfactory, which shows the theoretical derivation and analysis are correct and reliable. The results will supply rock blasting with the theoretical gist of parameters design.
文摘In this work,highly monodispersed Pt-Ni alloy nanoparticles were directly deposited on carbon substrate through a facile electrodeposition strategy in the solvent system of N,N-dimethylformamide(DMF).A series of carbon supported Pt-Ni alloy electrocatalysts were synthesized under different applied electrode potentials.Among all as-obtained samples,the Pt-Ni/C electrocatalyst deposited at-1.73 V exhibits the optimal specific activity up to 1.850 mA cm^(-2)at 0.9 V vs.RHE,which is 6.85 times higher than that of the commercial Pt/C.Comprehensive physiochemical characterizations and computational evaluations via density functional theory were conducted to unveil the nucleation and growth mechanism of PtNi alloy formation.Compared to the aqueous solution,DMF solvent molecule must not be neglected in avoiding particle agglomeration and synthesis of monodispersed nanoparticles.During the alloy co-deposition process,Ni sites produced through the reduction of Ni(Ⅱ)precursor not only facilitates Pt-Ni alloy crystal nucleation but also in favor of further Pt reduction on the Ni-inserted Pt surface.As for the deposition potential,it adjusts the final particle size.This work provides a hopeful extended Pt-based catalyst layer production strategy for proton exchange membrane fuel cells and a new idea for the nucleation and growth mechanism exploration for electrodeposited Pt alloy.
