In order to reduce the uncertainty of offline land surface model （LSM） simulations of land evapotranspiration （ET）, we used ensemble simulations based on three meteorological forcing datasets [Princeton, ITPCAS （...In order to reduce the uncertainty of offline land surface model （LSM） simulations of land evapotranspiration （ET）, we used ensemble simulations based on three meteorological forcing datasets [Princeton, ITPCAS （Institute of Tibetan Plateau Research, Chinese Academy of Sciences）, Qian] and four LSMs （BATS, VIC, CLM3.0 and CLM3.5）, to explore the trends and spatiotemporal characteristics of ET, as well as the spatiotemporal pattern of ET in response to climate factors over China's Mainland during 1982-2007. The results showed that various simulations of each member and their arithmetic mean （EnsAVlean） could capture the spatial distribution and seasonal pattern of ET sufficiently well, where they exhibited more significant spatial and seasonal variation in the ET compared with observation-based ET estimates （Obs_MTE）. For the mean annual ET, we found that the BATS forced by Princeton forcing overestimated the annual mean ET compared with Obs_MTE for most of the basins in China, whereas the VIC forced by Princeton forcing showed underestimations. By contrast, the Ens_Mean was closer to Obs_MTE, although the results were underestimated over Southeast China. Furthermore, both the Obs_MTE and Ens_Mean exhibited a significant increasing trend during 1982-98; whereas after 1998, when the last big EI Nifio event occurred, the Ens_Mean tended to decrease significantly between 1999 and 2007, although the change was not significant for Obs_MTE. Changes in air temperature and shortwave radiation played key roles in the long-term variation in ET over the humid area of China, but precipitation mainly controlled the long-term variation in ET in arid and semi-arid areas of China.展开更多
We present a systematic investigation of the impact of changing the geometry structure of the SPC/E water model by performing a series of molecular dynamic simulations at 1 bar （1 bar = 105 Pa） and 298.15 K. The geo...We present a systematic investigation of the impact of changing the geometry structure of the SPC/E water model by performing a series of molecular dynamic simulations at 1 bar （1 bar = 105 Pa） and 298.15 K. The geometric modification includes altering the H-O-H angle range from 90° to 115° and modifying the O-H length range from 0.90 A to 1.10 A in the SPC/E model. The former is achieved by keeping the dipole moment constant by modifying the O-H length, while in the latter only the O-H length is changed. With the larger bond length and angle, we find that the liquid shows a strong quadrupole interaction and high tetrahedral structure order parameter, resulting in the enhancement of the network structure of the liquid. When the bond length or angle is reduced, the hydrogen bond lifetime and self-diffusion constant decrease due to the weakening of the intermolecular interaction. We find that modifying the water molecular bond length leading to the variation of the intermolecular interaction strength is more intensive than changing the bond angle. Through calculating the average reduced density gradient and thermal fluctuation index, it is found that the scope of vdW interaction with neighbouring water molecules is inversely proportional to the change of the bond length and angle. The effect is mainly due to a significant change of the hydrogen bond network. To study the effect of water models as a solvent whose geometry has been modified, the solutions of ions in different solvent environments are examined by introducing NaCI. During the dissolving process, NaCI ions are ideally dissolved in SPC/E water and bond with natural water more easily than with other solvent models.展开更多
We analyze the electromagnetic interaction between local surface plasmon polaritons （SPPs） and an atmospheric surface wave plasma jet （ASWPJ） in combination with our designed discharge device. Before discharge, th...We analyze the electromagnetic interaction between local surface plasmon polaritons （SPPs） and an atmospheric surface wave plasma jet （ASWPJ） in combination with our designed discharge device. Before discharge, the excitation of the SPPs and the spatial distribution of the enhanced electric field are analyzed. During discharge, the critical breakdown electric field of the gases at atmospheric gas pressure and the surface wave of the SPPs converted into electron plasma waves at resonant points are studied. After discharge, the ionization development process of the ASWPJ is simulated using a two- dimensional fluid model. Our results suggest that the local enhanced electric field of SPPs is merely the precondition of gas breakdown, and the key mechanism in maintaining the discharge development of a low-power ASWPJ is the wave-mode conversion of the local enhanced electric field at the resonant point.展开更多
Thermodynamic and chemical properties of liquid carbon dioxide and nitrogen（CO_（2~–）N_2） mixture under the conditions of extremely high densities and temperatures are studied by using quantum molecular dynamic（...Thermodynamic and chemical properties of liquid carbon dioxide and nitrogen（CO_（2~–）N_2） mixture under the conditions of extremely high densities and temperatures are studied by using quantum molecular dynamic（QMD） simulations based on density functional theory including dispersion corrections（DFT-D）. We present equilibrium properties of liquid mixture for 112 separate density and temperature points, by selecting densities ranging from ρ = 1.80 g/cm^3 to 3.40 g/cm^3 and temperatures from T = 500 K to 8000 K. In the range of our study, the liquid CO_（2~–）N_2 mixture undergoes a continuous transition from molecular to atomic fluid state and liquid polymerization inferred from pair correlation functions（PCFs）and the distribution of various molecular components. The insulator–metal transition is demonstrated by means of the electronic density of states（DOS）.展开更多
The formation mechanism of an EFP(explosively formed projectile)using a double curvature liner under the overpressure effect generated by a regular oblique reflection was investigated in this paper.Based on the detona...The formation mechanism of an EFP(explosively formed projectile)using a double curvature liner under the overpressure effect generated by a regular oblique reflection was investigated in this paper.Based on the detonation wave propagation theory,the change of the incident angle of the detonation wave collision at different positions and the distribution area of the overpressure on the surface of the liner were calculated.Three dimensional numerical simulations of the formation process of the EFP with tail.as well as the ability to penetrate 45#steel were performed using LS-DYNA software,and the EFP ve locity,the penetration ability,and the forming were assessed via experiments and x_ray photographs.The experimental results coincides with those of the simulations.Results indicate that the collision of the detonation wave was controlled to be a regular oblique reflection acting on the liner by setting the di-mensions of the unit charge and maintai ning the pressure at the collision point region at more than 2.4 times the CJ detonation when the incident angle approached the cnitical angle.The distance from the liner midline to the boundary of the area within which the pressure ratio of the regular oblique reflection pressure to the qJ detonation pressure was greater than 2.5,2,and 15was approximately 0.66 mm,132 mm,and 3.3 mm,respectively.Itis noted that pressure gradient caused the liner to turn inside out in the middle to form the head of the EFP and close the two tails of the EFP at approximately 120μs.The penetration depth of the EFP into a 45#steel target exceeded 30 mm,and there was radial expansion between the head and tail of the EFP,increasing the penetration resistance of the EFP.Therefore,the structural size of the unit charge and the liner can be further optimized to reduce resist ance to increase the penetration ability of the EFP.展开更多
金属有机框架(MOFs)材料在Xe/Kr吸附分离方面展现出良好应用前景。为探究MOFs材料在不同气压下对Xe/Kr的吸附分离机理,本文采用巨正则蒙特卡洛(Grand Canonical Monte Carlo,GCMC)模拟方法,研究惰性气体Xe和Kr在HKUST-1、ZIF-8、IRMOF-1...金属有机框架(MOFs)材料在Xe/Kr吸附分离方面展现出良好应用前景。为探究MOFs材料在不同气压下对Xe/Kr的吸附分离机理,本文采用巨正则蒙特卡洛(Grand Canonical Monte Carlo,GCMC)模拟方法,研究惰性气体Xe和Kr在HKUST-1、ZIF-8、IRMOF-1及UiO-66四种MOFs材料上的吸附性能与机理。结果表明:低压情况下,HKUST-1因含有开放金属位点与侧腔结构,对Xe、Kr的吸附量最高;中压范围内,不同MOFs材料对Xe/Kr的吸附符合Langmuir-Freundlich吸附等温线模型,吸附量大小顺序为IRMOF-1>HKUST-1>ZIF-8>UiO-66,且该顺序与MOFs材料的Langmuir比表面积大小顺序一致,近似呈线性关系,选用比表面积大的材料可以提高Xe/Kr吸附量;常压下二元混合组分Xe/Kr的IAST选择性排序为UiO-66>HKUST-1>ZIF-8>IRMOF-1,其中,UiO-66(选择性:8.69)与HKUST-1(选择性:7.74)是常压下理想的Xe/Kr分离材料。GCMC模拟结果表明HKUST-1材料对于Xe/Kr的吸附分离效果最好。此结果为MOFs材料吸附分离Xe/Kr提供了理论依据和实验指导。展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.4140508391437220 and 41305066)+1 种基金the Natural Science Foundation of Hunan Province(Grant No.2015JJ3098)the Fund Project for The Education Department of Hunan Province(Grant No.14C0897)
文摘In order to reduce the uncertainty of offline land surface model （LSM） simulations of land evapotranspiration （ET）, we used ensemble simulations based on three meteorological forcing datasets [Princeton, ITPCAS （Institute of Tibetan Plateau Research, Chinese Academy of Sciences）, Qian] and four LSMs （BATS, VIC, CLM3.0 and CLM3.5）, to explore the trends and spatiotemporal characteristics of ET, as well as the spatiotemporal pattern of ET in response to climate factors over China's Mainland during 1982-2007. The results showed that various simulations of each member and their arithmetic mean （EnsAVlean） could capture the spatial distribution and seasonal pattern of ET sufficiently well, where they exhibited more significant spatial and seasonal variation in the ET compared with observation-based ET estimates （Obs_MTE）. For the mean annual ET, we found that the BATS forced by Princeton forcing overestimated the annual mean ET compared with Obs_MTE for most of the basins in China, whereas the VIC forced by Princeton forcing showed underestimations. By contrast, the Ens_Mean was closer to Obs_MTE, although the results were underestimated over Southeast China. Furthermore, both the Obs_MTE and Ens_Mean exhibited a significant increasing trend during 1982-98; whereas after 1998, when the last big EI Nifio event occurred, the Ens_Mean tended to decrease significantly between 1999 and 2007, although the change was not significant for Obs_MTE. Changes in air temperature and shortwave radiation played key roles in the long-term variation in ET over the humid area of China, but precipitation mainly controlled the long-term variation in ET in arid and semi-arid areas of China.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11635003,11025524,and 11161130520)the National Basic Research Program of China(Grant No.2010CB832903)the European Commission’s 7th Framework Programme(Fp7-PEOPLE-2010-IRSES)(Grant Agreement Project No.269131)
文摘We present a systematic investigation of the impact of changing the geometry structure of the SPC/E water model by performing a series of molecular dynamic simulations at 1 bar （1 bar = 105 Pa） and 298.15 K. The geometric modification includes altering the H-O-H angle range from 90° to 115° and modifying the O-H length range from 0.90 A to 1.10 A in the SPC/E model. The former is achieved by keeping the dipole moment constant by modifying the O-H length, while in the latter only the O-H length is changed. With the larger bond length and angle, we find that the liquid shows a strong quadrupole interaction and high tetrahedral structure order parameter, resulting in the enhancement of the network structure of the liquid. When the bond length or angle is reduced, the hydrogen bond lifetime and self-diffusion constant decrease due to the weakening of the intermolecular interaction. We find that modifying the water molecular bond length leading to the variation of the intermolecular interaction strength is more intensive than changing the bond angle. Through calculating the average reduced density gradient and thermal fluctuation index, it is found that the scope of vdW interaction with neighbouring water molecules is inversely proportional to the change of the bond length and angle. The effect is mainly due to a significant change of the hydrogen bond network. To study the effect of water models as a solvent whose geometry has been modified, the solutions of ions in different solvent environments are examined by introducing NaCI. During the dissolving process, NaCI ions are ideally dissolved in SPC/E water and bond with natural water more easily than with other solvent models.
基金Project supported by the National Natural Science Foundation of China(Grant No.11105002)the Open-end Fund of State Key Laboratory of Structural Analysis for Industrial Equipment,China(Grant No.GZ1215)+1 种基金the Natural Science Foundation for University in Anhui Province of China(Grant No.KJ2013A106)the Doctoral Scientific Research Funds of Anhui University of Science and Technology,China
文摘We analyze the electromagnetic interaction between local surface plasmon polaritons （SPPs） and an atmospheric surface wave plasma jet （ASWPJ） in combination with our designed discharge device. Before discharge, the excitation of the SPPs and the spatial distribution of the enhanced electric field are analyzed. During discharge, the critical breakdown electric field of the gases at atmospheric gas pressure and the surface wave of the SPPs converted into electron plasma waves at resonant points are studied. After discharge, the ionization development process of the ASWPJ is simulated using a two- dimensional fluid model. Our results suggest that the local enhanced electric field of SPPs is merely the precondition of gas breakdown, and the key mechanism in maintaining the discharge development of a low-power ASWPJ is the wave-mode conversion of the local enhanced electric field at the resonant point.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11374217,11135012,and 11375262)the Joint Fund of the National Natural Science Foundation of Chinathe China Academy of Engineering Physics(Grant No.11176020)
文摘Thermodynamic and chemical properties of liquid carbon dioxide and nitrogen（CO_（2~–）N_2） mixture under the conditions of extremely high densities and temperatures are studied by using quantum molecular dynamic（QMD） simulations based on density functional theory including dispersion corrections（DFT-D）. We present equilibrium properties of liquid mixture for 112 separate density and temperature points, by selecting densities ranging from ρ = 1.80 g/cm^3 to 3.40 g/cm^3 and temperatures from T = 500 K to 8000 K. In the range of our study, the liquid CO_（2~–）N_2 mixture undergoes a continuous transition from molecular to atomic fluid state and liquid polymerization inferred from pair correlation functions（PCFs）and the distribution of various molecular components. The insulator–metal transition is demonstrated by means of the electronic density of states（DOS）.
基金The work presented in this paper has been supported by the science foundation(YT20-01-02)of Nanjing Vocational University of Industry Technology and the National Science Foundation of China under NO.11802141.
文摘The formation mechanism of an EFP(explosively formed projectile)using a double curvature liner under the overpressure effect generated by a regular oblique reflection was investigated in this paper.Based on the detonation wave propagation theory,the change of the incident angle of the detonation wave collision at different positions and the distribution area of the overpressure on the surface of the liner were calculated.Three dimensional numerical simulations of the formation process of the EFP with tail.as well as the ability to penetrate 45#steel were performed using LS-DYNA software,and the EFP ve locity,the penetration ability,and the forming were assessed via experiments and x_ray photographs.The experimental results coincides with those of the simulations.Results indicate that the collision of the detonation wave was controlled to be a regular oblique reflection acting on the liner by setting the di-mensions of the unit charge and maintai ning the pressure at the collision point region at more than 2.4 times the CJ detonation when the incident angle approached the cnitical angle.The distance from the liner midline to the boundary of the area within which the pressure ratio of the regular oblique reflection pressure to the qJ detonation pressure was greater than 2.5,2,and 15was approximately 0.66 mm,132 mm,and 3.3 mm,respectively.Itis noted that pressure gradient caused the liner to turn inside out in the middle to form the head of the EFP and close the two tails of the EFP at approximately 120μs.The penetration depth of the EFP into a 45#steel target exceeded 30 mm,and there was radial expansion between the head and tail of the EFP,increasing the penetration resistance of the EFP.Therefore,the structural size of the unit charge and the liner can be further optimized to reduce resist ance to increase the penetration ability of the EFP.
文摘金属有机框架(MOFs)材料在Xe/Kr吸附分离方面展现出良好应用前景。为探究MOFs材料在不同气压下对Xe/Kr的吸附分离机理,本文采用巨正则蒙特卡洛(Grand Canonical Monte Carlo,GCMC)模拟方法,研究惰性气体Xe和Kr在HKUST-1、ZIF-8、IRMOF-1及UiO-66四种MOFs材料上的吸附性能与机理。结果表明:低压情况下,HKUST-1因含有开放金属位点与侧腔结构,对Xe、Kr的吸附量最高;中压范围内,不同MOFs材料对Xe/Kr的吸附符合Langmuir-Freundlich吸附等温线模型,吸附量大小顺序为IRMOF-1>HKUST-1>ZIF-8>UiO-66,且该顺序与MOFs材料的Langmuir比表面积大小顺序一致,近似呈线性关系,选用比表面积大的材料可以提高Xe/Kr吸附量;常压下二元混合组分Xe/Kr的IAST选择性排序为UiO-66>HKUST-1>ZIF-8>IRMOF-1,其中,UiO-66(选择性:8.69)与HKUST-1(选择性:7.74)是常压下理想的Xe/Kr分离材料。GCMC模拟结果表明HKUST-1材料对于Xe/Kr的吸附分离效果最好。此结果为MOFs材料吸附分离Xe/Kr提供了理论依据和实验指导。
