AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered i...AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered in this model. Then the two-dimensional conduction band and electron distribution, electron temperature characteristics, Id versus Vd and Id versus Vg, transfer characteristics and transconductance curves are obtained. Corresponding analysis and discussion based on the simulation results are subsequently given.展开更多
The future change of September Arctic sea-ice volume,simulated by 30 state-of-the-art climate models from the Coupled Model Intercomparison Project Phase 5（CMIP5）,is examined,which depends on both ice extent and ice...The future change of September Arctic sea-ice volume,simulated by 30 state-of-the-art climate models from the Coupled Model Intercomparison Project Phase 5（CMIP5）,is examined,which depends on both ice extent and ice thickness.In comparison with the September sea-ice extent,the September sea-ice volume has larger spread in the historical simulation but faster convergence in the projection simulation,especially in the context of increasing greenhouse gas emissions.This indicates that the ice volume might be more sensitive to external forcings than the ice extent.Using the averaged projection of those climate models from the 30 CMIP5 models that can better reflect the ‘observed＇ sea-ice volume climatology and variability,it is shown that the September sea ice volume will decrease to ~3000 km3 in the early 2060 s,and then level off under a medium-mitigation scenario.However,it will drop to ~3000 km3 in the early 2040 s and reach a near-zero ice volume in the mid-2070 s under a high-emission scenario.With respect to the historical condition,the reduction of the ice volume,associated with increasing greenhouse gas emissions,is more rapid than that of the ice extent during the twenty-first century.展开更多
Based on four sets of numerical simulations prescribed with atmospheric radiative forcing and sea surface temperature(SST) forcing in the Community Atmospheric Model version 3(CAM3), the interannual and interdecadal v...Based on four sets of numerical simulations prescribed with atmospheric radiative forcing and sea surface temperature(SST) forcing in the Community Atmospheric Model version 3(CAM3), the interannual and interdecadal variabilities of the Antarctic oscillation(AAO) during austral summer were studied. It was found that the interannual variability is mainly driven by SST forcing. On the other hand, atmospheric radiative forcing plays a major role in the interdecadal variability. A cooling trend was found in the high latitudes of the Southern Hemisphere(SH) when atmospheric radiative forcing was specified in the model. This cooling trend tended to enhance the temperature gradient between the mid and high latitudes in the SH, inducing a transition of the AAO from a negative to a positive phase on the interdecadal timescale. The cooling trend was also partly weakened by the SST forcing, leading to a better simulation compared with the purely atmospheric radiative forcing run. Therefore, SST forcing cannot be ignored, although it is not as important as atmospheric radiative forcing.展开更多
The ferroelectric domain formation(FDF) and polarization switching(FDPS) subjected to an external electric field are simulated using the phase-field(PF) method,and the FDPS mechanism under different external electric ...The ferroelectric domain formation(FDF) and polarization switching(FDPS) subjected to an external electric field are simulated using the phase-field(PF) method,and the FDPS mechanism under different external electric fields is discussed.The results show that the FDF is a process of nucleation and growth in ferroelectric without applying any external stress.Four kinds of parallelogram shaped ferroelectric domains are formed at the steady state,in which the 180° anti-phase domains regularly align along the 45° direction and the 90° anti-phase domains regularly distribute like a stepladder.Steady electric fields can rotate domain polarization by 90° and 180°,and force the orientation-favorite domains and the average polarization to grow into larger ones.The greater the steady electric field,the larger the average polarization at the steady state.In ferroelectrics subject to an alternating electric field,domain polarization switches to cause a hysteresis loop and an associated butterfly loop with the alternating electric field.The coercive field and remnant field are enhanced with the increase of the electric field frequency or strength,or with the decrease of temperature.展开更多
Although monoclinic WO3 is widely studied as a prototypical photoanode material for solar water splitting,limited success,hitherto,in fabricating WO3 photoanodes that simultaneously demonstrate high efficiency and rep...Although monoclinic WO3 is widely studied as a prototypical photoanode material for solar water splitting,limited success,hitherto,in fabricating WO3 photoanodes that simultaneously demonstrate high efficiency and reproducibility has been realized.The difficulty in controlling both the efficiency and reproducibility is derived from the ever-changing structures/compositions and chemical environments of the precursors,such as peroxytungstic acid and freshly prepared tungstic acid,which render the fabrication processes of the WO3 photoanodes particularly uncontrollable.Herein,a highly reproducible sol-gel process was developed to establish efficient and translucent WO3 photoanodes using a chemically stable ammonium metatungstate precursor.Under standard simulated sunlight of air mass 1.5 G,100 m W cm-2,the WO3 photoanode delivered photocurrent densities of ca.2.05 and2.25 m A cm^-2at 1.23 V versus the reversible hydrogen electrode(RHE),when tested in 1 mol L^-1H2SO4 and CH3SO3H,respectively.Hence,the WO3 photoanodes fabricated herein are one of the WO3 photoanodes with the highest performance ever reported.The reproducibility of the fabrication scheme was evaluated by testing 50 randomly selected WO3 samples in1 mol L^-1H2SO4,which yielded an average photocurrent density of 1.8 m A cm^-2at 1.23 VRHEwith a small standard deviation.Additionally,the effectiveness of the ammonium metatungstate precursor solution was maintained for at least 3weeks,when compared with the associated upper-limit values of peroxytungstic and tungstic acid-based precursors after 3 d.This study presents a key step to the future development of WO3 photoanodes for efficient solar water splitting.展开更多
MD simulation study of several peptides including a polyalanine,a helix(pdb:2I9M),and a leucine zipper were carried out to investigate hydrogen bond energetics using dynamic polarized protein-specific charge(DPPC)to a...MD simulation study of several peptides including a polyalanine,a helix(pdb:2I9M),and a leucine zipper were carried out to investigate hydrogen bond energetics using dynamic polarized protein-specific charge(DPPC)to account for the polarization effect in protein dynamics.Results show that the backbone hydrogen-bond strength is generally correlated with its specific local electrostatic environment,measured by the number of water molecules near the hydrogen bond in the first solvation shell.The correlation coefficient is found to be 0.89,0.78,and 0.80,respectively,for polyalanine,2I9M protein,and leucine zipper.In the polyalanine,the energies of the backbone hydrogen bonds are very similar to each other due to their similar local electrostatic environment.The current study helps demonstrate and support the understanding that hydrogen bonds are stronger in a hydrophobic surrounding than in a hydrophilic one.For comparison,the result from simulation using standard force field shows a much weaker correlation between hydrogen bond energy and local electrostatic environment due to the lack of polarization effect in the force field.展开更多
During the era of global warming and highly urbanized development,extreme and high impact weather as well as air pollution incidents influence everyday life and might even cause the incalculable loss of life and prope...During the era of global warming and highly urbanized development,extreme and high impact weather as well as air pollution incidents influence everyday life and might even cause the incalculable loss of life and property.Despite the vast development of atmospheric models,there still exist substantial numerical forecast biases objectively.To accurately predict extreme weather,severe air pollution,and abrupt climate change,numerical atmospheric model requires not only to simulate meteorology and atmospheric compositions simultaneously involving many sophisticated physical and chemical processes but also at high spatiotemporal resolution.Global integrated atmospheric simulation at spatial resolutions of a few kilometers remains challenging due to its intensive computational and input/output(I/O)requirement.Through multi-dimension-parallelism structuring,aggressive and finer-grained optimizing,manual vectorizing,and parallelized I/O fragmenting,an integrated Atmospheric Model Across Scales(iAMAS)was established on the new Sunway supercomputer platform to significantly increase the computational efficiency and reduce the I/O cost.The global 3-km atmospheric simulation for meteorology with online integrated aerosol feedbacks with iAMAS was scaled to 39,000,000 processor cores and achieved the speed of 0.82 simulation day per hour(SDPH)with routine I/O,which enabled us to perform 5-day global weather forecast at 3-km horizontal resolution with online natural aerosol impacts.The results demonstrate the promising future that the increasing of spatial resolution to a few kilometers with online integrated aerosol feedbacks may significantly improve the global weather forecast.展开更多
Oxygen vacancy, a kind of native point defects in ferroelectric ceramics, usually causes an increase of the dielectric loss. Based on experimental observations, it is believed that all of the oxygen vacancies are an u...Oxygen vacancy, a kind of native point defects in ferroelectric ceramics, usually causes an increase of the dielectric loss. Based on experimental observations, it is believed that all of the oxygen vacancies are an unfavorable factor for energy saving. By using molecular dynamics simulations, we show that the increase of coercive and saturated electric fields is due to the difficulty to switch local polarization near an oxygen vacancy, and so that a ferroelectric device has to sustain the rising consumption of energy. The simulation results also uncover how oxygen vacancies influence ferroelectric properties.展开更多
文摘AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered in this model. Then the two-dimensional conduction band and electron distribution, electron temperature characteristics, Id versus Vd and Id versus Vg, transfer characteristics and transconductance curves are obtained. Corresponding analysis and discussion based on the simulation results are subsequently given.
基金supported by the National Natural Science Foundation of China[grant numbers 41305097 and 41176169]the National Basic Research Program of China[973 program,grant number 2011CB309704]
文摘The future change of September Arctic sea-ice volume,simulated by 30 state-of-the-art climate models from the Coupled Model Intercomparison Project Phase 5（CMIP5）,is examined,which depends on both ice extent and ice thickness.In comparison with the September sea-ice extent,the September sea-ice volume has larger spread in the historical simulation but faster convergence in the projection simulation,especially in the context of increasing greenhouse gas emissions.This indicates that the ice volume might be more sensitive to external forcings than the ice extent.Using the averaged projection of those climate models from the 30 CMIP5 models that can better reflect the ‘observed＇ sea-ice volume climatology and variability,it is shown that the September sea ice volume will decrease to ~3000 km3 in the early 2060 s,and then level off under a medium-mitigation scenario.However,it will drop to ~3000 km3 in the early 2040 s and reach a near-zero ice volume in the mid-2070 s under a high-emission scenario.With respect to the historical condition,the reduction of the ice volume,associated with increasing greenhouse gas emissions,is more rapid than that of the ice extent during the twenty-first century.
基金supported by the Carbon Budget and Related Issues of the Chinese Academy of Sciences (Grant No. XDA05110201)the National Basic Research Program of China (Grant No. 2010CB951901)
文摘Based on four sets of numerical simulations prescribed with atmospheric radiative forcing and sea surface temperature(SST) forcing in the Community Atmospheric Model version 3(CAM3), the interannual and interdecadal variabilities of the Antarctic oscillation(AAO) during austral summer were studied. It was found that the interannual variability is mainly driven by SST forcing. On the other hand, atmospheric radiative forcing plays a major role in the interdecadal variability. A cooling trend was found in the high latitudes of the Southern Hemisphere(SH) when atmospheric radiative forcing was specified in the model. This cooling trend tended to enhance the temperature gradient between the mid and high latitudes in the SH, inducing a transition of the AAO from a negative to a positive phase on the interdecadal timescale. The cooling trend was also partly weakened by the SST forcing, leading to a better simulation compared with the purely atmospheric radiative forcing run. Therefore, SST forcing cannot be ignored, although it is not as important as atmospheric radiative forcing.
基金supported by the National Natural Science Foundation of China(Grant Nos.51075335,51174168,10902086,and 50875217)the NPU Foundation for Fundamental Research(Grant No.JC201005)
文摘The ferroelectric domain formation(FDF) and polarization switching(FDPS) subjected to an external electric field are simulated using the phase-field(PF) method,and the FDPS mechanism under different external electric fields is discussed.The results show that the FDF is a process of nucleation and growth in ferroelectric without applying any external stress.Four kinds of parallelogram shaped ferroelectric domains are formed at the steady state,in which the 180° anti-phase domains regularly align along the 45° direction and the 90° anti-phase domains regularly distribute like a stepladder.Steady electric fields can rotate domain polarization by 90° and 180°,and force the orientation-favorite domains and the average polarization to grow into larger ones.The greater the steady electric field,the larger the average polarization at the steady state.In ferroelectrics subject to an alternating electric field,domain polarization switches to cause a hysteresis loop and an associated butterfly loop with the alternating electric field.The coercive field and remnant field are enhanced with the increase of the electric field frequency or strength,or with the decrease of temperature.
基金supported by the Ministry of Education(MOE)Tier 1(M4011959 and M4011528)the National Key Research and Development Program of China(2018YFA0209303)+1 种基金the National Natural Science Foundation of China(U1663228 and 51902153)the Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions。
文摘Although monoclinic WO3 is widely studied as a prototypical photoanode material for solar water splitting,limited success,hitherto,in fabricating WO3 photoanodes that simultaneously demonstrate high efficiency and reproducibility has been realized.The difficulty in controlling both the efficiency and reproducibility is derived from the ever-changing structures/compositions and chemical environments of the precursors,such as peroxytungstic acid and freshly prepared tungstic acid,which render the fabrication processes of the WO3 photoanodes particularly uncontrollable.Herein,a highly reproducible sol-gel process was developed to establish efficient and translucent WO3 photoanodes using a chemically stable ammonium metatungstate precursor.Under standard simulated sunlight of air mass 1.5 G,100 m W cm-2,the WO3 photoanode delivered photocurrent densities of ca.2.05 and2.25 m A cm^-2at 1.23 V versus the reversible hydrogen electrode(RHE),when tested in 1 mol L^-1H2SO4 and CH3SO3H,respectively.Hence,the WO3 photoanodes fabricated herein are one of the WO3 photoanodes with the highest performance ever reported.The reproducibility of the fabrication scheme was evaluated by testing 50 randomly selected WO3 samples in1 mol L^-1H2SO4,which yielded an average photocurrent density of 1.8 m A cm^-2at 1.23 VRHEwith a small standard deviation.Additionally,the effectiveness of the ammonium metatungstate precursor solution was maintained for at least 3weeks,when compared with the associated upper-limit values of peroxytungstic and tungstic acid-based precursors after 3 d.This study presents a key step to the future development of WO3 photoanodes for efficient solar water splitting.
基金supported by the National Natural Science Foundation of China(11147026,31200545,21003048,21173082,11274206,21390411,21433004)the National Basic Research Program of China(2013CB933800)the Supercomputer Center of East China Normal University for CPU time support
文摘MD simulation study of several peptides including a polyalanine,a helix(pdb:2I9M),and a leucine zipper were carried out to investigate hydrogen bond energetics using dynamic polarized protein-specific charge(DPPC)to account for the polarization effect in protein dynamics.Results show that the backbone hydrogen-bond strength is generally correlated with its specific local electrostatic environment,measured by the number of water molecules near the hydrogen bond in the first solvation shell.The correlation coefficient is found to be 0.89,0.78,and 0.80,respectively,for polyalanine,2I9M protein,and leucine zipper.In the polyalanine,the energies of the backbone hydrogen bonds are very similar to each other due to their similar local electrostatic environment.The current study helps demonstrate and support the understanding that hydrogen bonds are stronger in a hydrophobic surrounding than in a hydrophilic one.For comparison,the result from simulation using standard force field shows a much weaker correlation between hydrogen bond energy and local electrostatic environment due to the lack of polarization effect in the force field.
基金supported by the Strategic Priority Research Program of Chinese Academy of Sciences(XDB41000000)the Research Funds of the Double First-Class Initiative of University of Science and Technology of China(YD2080002007)the National Natural Science Foundation of China(91837310,42061134009,and 41775146)。
文摘During the era of global warming and highly urbanized development,extreme and high impact weather as well as air pollution incidents influence everyday life and might even cause the incalculable loss of life and property.Despite the vast development of atmospheric models,there still exist substantial numerical forecast biases objectively.To accurately predict extreme weather,severe air pollution,and abrupt climate change,numerical atmospheric model requires not only to simulate meteorology and atmospheric compositions simultaneously involving many sophisticated physical and chemical processes but also at high spatiotemporal resolution.Global integrated atmospheric simulation at spatial resolutions of a few kilometers remains challenging due to its intensive computational and input/output(I/O)requirement.Through multi-dimension-parallelism structuring,aggressive and finer-grained optimizing,manual vectorizing,and parallelized I/O fragmenting,an integrated Atmospheric Model Across Scales(iAMAS)was established on the new Sunway supercomputer platform to significantly increase the computational efficiency and reduce the I/O cost.The global 3-km atmospheric simulation for meteorology with online integrated aerosol feedbacks with iAMAS was scaled to 39,000,000 processor cores and achieved the speed of 0.82 simulation day per hour(SDPH)with routine I/O,which enabled us to perform 5-day global weather forecast at 3-km horizontal resolution with online natural aerosol impacts.The results demonstrate the promising future that the increasing of spatial resolution to a few kilometers with online integrated aerosol feedbacks may significantly improve the global weather forecast.
基金the National Natural Science Foundation of China(Grant Nos.11172024 and 11232013)the National Key Basic Research Program of China(Grant No.2012CB937500)+3 种基金the Research Grant Council of the Hong Kong Special Administrative Region,China(Grant No.9042201(City U 11211015))resources provided by the Pawsey Supercomputing Centre with funding from the Australian Government and the Government of Western Australiathe LNMGrid of the State Key Laboratory of Nonlinear Mechanics and the Sc Grid of Supercomputing CenterComputer Network Information Center of the Chinese Academy of Sciences
文摘Oxygen vacancy, a kind of native point defects in ferroelectric ceramics, usually causes an increase of the dielectric loss. Based on experimental observations, it is believed that all of the oxygen vacancies are an unfavorable factor for energy saving. By using molecular dynamics simulations, we show that the increase of coercive and saturated electric fields is due to the difficulty to switch local polarization near an oxygen vacancy, and so that a ferroelectric device has to sustain the rising consumption of energy. The simulation results also uncover how oxygen vacancies influence ferroelectric properties.
