电子的运动与演化是贯穿许多物理化学过程的主线,而对这一过程的精确模拟和分析是发展有效的电子调控方法和应用的关键.传统方法,如TDHF(time-dependent Hartree-Fock)、TDDFT(time-dependent density functional theory)等,在模拟小尺...电子的运动与演化是贯穿许多物理化学过程的主线,而对这一过程的精确模拟和分析是发展有效的电子调控方法和应用的关键.传统方法,如TDHF(time-dependent Hartree-Fock)、TDDFT(time-dependent density functional theory)等,在模拟小尺度体系内的电子演化时表现优异,然而,在模拟大尺度体系时计算复杂度偏高,成本较大.在一些大尺度体系内,原子核位置相对固定,并且微扰对整体相互作用的哈密顿量影响较小.为此提出了一种简单有效的基于哈密顿矩阵的电子波函数演化方法,这一方法能处理远远大于TDDFT计算尺度的大体系.通过将该方法应用于四个不同的体系进行测试分析,验证了这一方法在处理大体系时的可行性,并为相关的电子调控应用提供了新的思路.展开更多
E-mail communication network evolution model based on user information propagation is studied. First, mathematical representation of weighted e-mail communication network is proposed, and network center parameters of ...E-mail communication network evolution model based on user information propagation is studied. First, mathematical representation of weighted e-mail communication network is proposed, and network center parameters of Enron dataset and the distribution of node degree and strength are analyzed. Then, some rules of e-mail communication network evolution are found. Second, the model of e-mail information propagation is described, and e-mail communication network evolution model based on user information propagation is proposed. Lastly, the simulation proves the correctness of the distribution characteristic of degree and strength of the model proposed and then verifies that the model proposed is closer to the real situation of e-mail communication network through parameter comparison. This research provides the basis for other researches on social network evolution and data communication.展开更多
It is becoming an important controlling factor of gas exploration and exploitation in the east part of Sulige gas field in the Ordos Basin where the reservoir of main gas formations is tight sandstones. Employing expe...It is becoming an important controlling factor of gas exploration and exploitation in the east part of Sulige gas field in the Ordos Basin where the reservoir of main gas formations is tight sandstones. Employing experimental methods of slice identification, casting slice, scan electron microscope, and X-ray diffrac- tions, we studied the characteristics of petrology and diagenesis on reservoirs in Shanl section of Shanxi formation and He8 section of Shihezi formation of the Permian system in the East II part of Sulige gas field. The results include: (1) the main sandstones in these areas are dominated by lithic sandstone and litbic silicarenite with low grade of maturity; (2) the diagenesis of sandstone in these areas mainly include compaction, cementation, corrosion and alteration. Conclusions are as follows: (1) the diagenetic stage reached period B of the middle diagenetic stage; (2) the early diagenetic compaction is one of the main factors to decreasing porosity; (3) the secondary pores formed by corrosion in acidity medium con- ditions in period A of the middle diagenetic stage can distinctly ameliorate the poor reservoir capability of sandstone and, (4) cementation in period B of the middle diagenetic stage is the most important factor leading; to poor physical property of sandstone reservoirs.展开更多
A simple hydrothermal process followed by heat treatment was applied to the preparation of spinel Li1.05Mn1.95O4. In this process, electrolytic manganese dioxide(EMD) and LiOH·H2O were used as starting materials....A simple hydrothermal process followed by heat treatment was applied to the preparation of spinel Li1.05Mn1.95O4. In this process, electrolytic manganese dioxide(EMD) and LiOH·H2O were used as starting materials. The physiochemical properties of the synthesized samples were investigated by thermogravimetry-differential scanning calorimetry(TG-DSC), X-ray diffractometry(XRD), and scanning electronic microscopy(SEM). The results show that the hydrothermally synthesized precursor is an essential amorphous. The precursor can be easily transferred to spinel powders with a homogeneous structure and a regularly-shaped morphology by heat treatment. Li1.05Mn1.95O4 powder obtained by heat treating the precursor at 430 °C for 12 h and then calcining at 800 °C for 12 h shows an excellent cycling performance with an initial charge capacity of 118.2 mA·h·g-1 obtained at 0.5C rate and 93.8% of its original value retained after 100 cycles.展开更多
Energy is the key issue of all life activities.The energy source and energy yielding pathway are the key scientific issues of the origin and early evolution of life on Earth.Current researches indicate that the utiliz...Energy is the key issue of all life activities.The energy source and energy yielding pathway are the key scientific issues of the origin and early evolution of life on Earth.Current researches indicate that the utilization of solar energy in large scale by life was an important breaking point of the early evolution of life on Earth and afterwards life gradually developed and flourished.However,in the widespread biochemical electron transfer of life activities,it is still not clear whether the electron source is sun or how electrons originated from sun.For billions of years,the ubiquitous semiconducting minerals in epigeosphere absorb solar energy,forming photoelectrons and photoholes.In reductive and weak acidic environment of early Earth,when photoholes were easily scavenged by reducing matters,photoelectrons were separated.Photoelectrons could effectively reduce carbon dioxide to organic matters,possibly providing organic matter foundation for the origin of life.Photoelectrons participated in photoelectron transfer chains driven by potential difference and transfer into primitive cells to maintain metabolisms.Semiconducting minerals,by absorbing ultraviolet,also protected primitive cells from being damaged by ultraviolet in the origin of life.Due to the continuous photoelectrons generation in semiconducting minerals and utilization by primitive cells,photoelectrons from semiconducting minerals’photocatalysis played multiple roles in the origin of life on early Earth,such as organic synthesis,cell protection,and energy supply.This mechanism still plays important roles in modern Earth surface systems.展开更多
The time evolution of both proton and anti-proton v2 flows from Au+Au collisions at √SNN=7.7 GeV are examined by using both pure cascade and mean-field potential versions of the UrQMD model. Due to a stronger repuls...The time evolution of both proton and anti-proton v2 flows from Au+Au collisions at √SNN=7.7 GeV are examined by using both pure cascade and mean-field potential versions of the UrQMD model. Due to a stronger repulsion at the early stage introduced by the repulsive potentials and hence much less annihilation probabilities, anti-protons are frozen out earlier with smaller v2 values. Therefore, the experimental data of anti-proton v2 as well as the flow difference between proton and anti-proton can be reasonably described with the potential version of UrQMD.展开更多
t Magnetic null points and flux ropes play important roles in the three-dimensional process of magnetic reconnection. In this study, a cluster of null points are reconstructed in the reconnection region in the magneto...t Magnetic null points and flux ropes play important roles in the three-dimensional process of magnetic reconnection. In this study, a cluster of null points are reconstructed in the reconnection region in the magnetotail by applying a fitting-reconstruction method to measurements from the Cluster mission. The number of recon- structed null points varies rapidly, presenting a turbulentlike evolution of the magnetic structure. The electron density and the flux of the accelerated electrons were enhanced in this turbulent-like region. During this unstable reconnection process, a B-As-B null structure was formed, showing flux rope features and resembling a secondary island in the observation.展开更多
The dynamic behavior of the interface between few layer graphene(FLG) and tungsten metal tips under Joule heating has been studied by in-situ transmission electron microscopy(TEM) method. High-resolution and real-time...The dynamic behavior of the interface between few layer graphene(FLG) and tungsten metal tips under Joule heating has been studied by in-situ transmission electron microscopy(TEM) method. High-resolution and real-time observations show the tungsten tip ‘swallow' carbon atoms of the FLG and ‘spit' graphite shells at its surface. The tip was carbonized to tungsten carbide(WC, W_2 C and WC_x) after this process. A carbon diffusion mechanism has been proposed based on the diffusion of carbon atoms through the tungsten tip and separation from the surface of the tip. After Joule heating, the initial FLG-metal mechanical contact was transformed to FLG-WCx-W contact, which results in significant improvement on electrical conductivity at the interface.展开更多
The relationship between structure and electronic properties of phosphorus-doped hydrogenated amorphous silicon(a-Si:H) thin films was investigated.Samples with different features were prepared by plasma enhanced chem...The relationship between structure and electronic properties of phosphorus-doped hydrogenated amorphous silicon(a-Si:H) thin films was investigated.Samples with different features were prepared by plasma enhanced chemical vapor deposition(PECVD) at various substrate temperatures.Raman spectroscopy and Fourier transform infrared(FTIR) spectroscopy were used to evaluate the structural evolution,meanwhile,electronic-spin resonance(ESR) and optical measurement were applied to explore the electronic properties of P-doped a-Si:H thin films.The results revealed that the changes in materials structure affect directly the electronic properties and the doping efficiency of dopant.展开更多
The observation of 26Al is an useful tool for γ-ray astronomy and in studies of galactic chemical evolution. The most likely mechanism for 26Al nucleosynthesis is in the hydrogen burning MgAI cycle, and the 26Al prod...The observation of 26Al is an useful tool for γ-ray astronomy and in studies of galactic chemical evolution. The most likely mechanism for 26Al nucleosynthesis is in the hydrogen burning MgAI cycle, and the 26Al production reaction 25Mg(p, γ)26Al at the important temperature range below T = 0.2 GK is still not well known. The spectroscopic factor of 58 keV resonance level in 26Al is determined with shell model calculation and then used to deduce the resonance strength of the 25Mg(p, γ)26Al reaction. The result provides a reference for the future 25Mg(p, γ)26Al direct measurement at Jinping underground laboratory.展开更多
文摘电子的运动与演化是贯穿许多物理化学过程的主线,而对这一过程的精确模拟和分析是发展有效的电子调控方法和应用的关键.传统方法,如TDHF(time-dependent Hartree-Fock)、TDDFT(time-dependent density functional theory)等,在模拟小尺度体系内的电子演化时表现优异,然而,在模拟大尺度体系时计算复杂度偏高,成本较大.在一些大尺度体系内,原子核位置相对固定,并且微扰对整体相互作用的哈密顿量影响较小.为此提出了一种简单有效的基于哈密顿矩阵的电子波函数演化方法,这一方法能处理远远大于TDDFT计算尺度的大体系.通过将该方法应用于四个不同的体系进行测试分析,验证了这一方法在处理大体系时的可行性,并为相关的电子调控应用提供了新的思路.
基金sponsored by the National Natural Science Foundation of China under grant number No. 61100008, 61201084the China Postdoctoral Science Foundation under Grant No. 2013M541346+3 种基金Heilongiiang Postdoctoral Special Fund (Postdoctoral Youth Talent Program) under Grant No. LBH-TZ0504Heilongjiang Postdoctoral Fund under Grant No. LBH-Z13058the Natural Science Foundation of Heilongjiang Province of China under Grant No. QC2015076Funds for the Central Universities of China under grant number HEUCF100602
文摘E-mail communication network evolution model based on user information propagation is studied. First, mathematical representation of weighted e-mail communication network is proposed, and network center parameters of Enron dataset and the distribution of node degree and strength are analyzed. Then, some rules of e-mail communication network evolution are found. Second, the model of e-mail information propagation is described, and e-mail communication network evolution model based on user information propagation is proposed. Lastly, the simulation proves the correctness of the distribution characteristic of degree and strength of the model proposed and then verifies that the model proposed is closer to the real situation of e-mail communication network through parameter comparison. This research provides the basis for other researches on social network evolution and data communication.
基金supported by the Science Development Project of Shandong Province (No.2009GG20001021-07)the Open Fund of Shandong Provincial Key Laboratory of Depositional Mineralization & Sedimentary Minerals (No. DMSM200803)the SDUST Research Fund (No.2010KYTD103)
文摘It is becoming an important controlling factor of gas exploration and exploitation in the east part of Sulige gas field in the Ordos Basin where the reservoir of main gas formations is tight sandstones. Employing experimental methods of slice identification, casting slice, scan electron microscope, and X-ray diffrac- tions, we studied the characteristics of petrology and diagenesis on reservoirs in Shanl section of Shanxi formation and He8 section of Shihezi formation of the Permian system in the East II part of Sulige gas field. The results include: (1) the main sandstones in these areas are dominated by lithic sandstone and litbic silicarenite with low grade of maturity; (2) the diagenesis of sandstone in these areas mainly include compaction, cementation, corrosion and alteration. Conclusions are as follows: (1) the diagenetic stage reached period B of the middle diagenetic stage; (2) the early diagenetic compaction is one of the main factors to decreasing porosity; (3) the secondary pores formed by corrosion in acidity medium con- ditions in period A of the middle diagenetic stage can distinctly ameliorate the poor reservoir capability of sandstone and, (4) cementation in period B of the middle diagenetic stage is the most important factor leading; to poor physical property of sandstone reservoirs.
基金Project(50174058)supported by the National Natural Science Foundation of ChinaProject(2011A025)supported by the Glorious Laurel Scholar Program of Guangxi Zhuang Autonomous Region,China
文摘A simple hydrothermal process followed by heat treatment was applied to the preparation of spinel Li1.05Mn1.95O4. In this process, electrolytic manganese dioxide(EMD) and LiOH·H2O were used as starting materials. The physiochemical properties of the synthesized samples were investigated by thermogravimetry-differential scanning calorimetry(TG-DSC), X-ray diffractometry(XRD), and scanning electronic microscopy(SEM). The results show that the hydrothermally synthesized precursor is an essential amorphous. The precursor can be easily transferred to spinel powders with a homogeneous structure and a regularly-shaped morphology by heat treatment. Li1.05Mn1.95O4 powder obtained by heat treating the precursor at 430 °C for 12 h and then calcining at 800 °C for 12 h shows an excellent cycling performance with an initial charge capacity of 118.2 mA·h·g-1 obtained at 0.5C rate and 93.8% of its original value retained after 100 cycles.
基金supported by National Natural Science Foundation of China(Grant No.41230103)National Basic Research Program of China(Grant No.2014CB846001)
文摘Energy is the key issue of all life activities.The energy source and energy yielding pathway are the key scientific issues of the origin and early evolution of life on Earth.Current researches indicate that the utilization of solar energy in large scale by life was an important breaking point of the early evolution of life on Earth and afterwards life gradually developed and flourished.However,in the widespread biochemical electron transfer of life activities,it is still not clear whether the electron source is sun or how electrons originated from sun.For billions of years,the ubiquitous semiconducting minerals in epigeosphere absorb solar energy,forming photoelectrons and photoholes.In reductive and weak acidic environment of early Earth,when photoholes were easily scavenged by reducing matters,photoelectrons were separated.Photoelectrons could effectively reduce carbon dioxide to organic matters,possibly providing organic matter foundation for the origin of life.Photoelectrons participated in photoelectron transfer chains driven by potential difference and transfer into primitive cells to maintain metabolisms.Semiconducting minerals,by absorbing ultraviolet,also protected primitive cells from being damaged by ultraviolet in the origin of life.Due to the continuous photoelectrons generation in semiconducting minerals and utilization by primitive cells,photoelectrons from semiconducting minerals’photocatalysis played multiple roles in the origin of life on early Earth,such as organic synthesis,cell protection,and energy supply.This mechanism still plays important roles in modern Earth surface systems.
基金the National Natural Science Foundation of China(Grant Nos.1137506211547312,and 11275068)the project sponsored by SRF for ROCS,SEM,and the Doctoral Scientific Research Foundation(Grant No.11447109)
文摘The time evolution of both proton and anti-proton v2 flows from Au+Au collisions at √SNN=7.7 GeV are examined by using both pure cascade and mean-field potential versions of the UrQMD model. Due to a stronger repulsion at the early stage introduced by the repulsive potentials and hence much less annihilation probabilities, anti-protons are frozen out earlier with smaller v2 values. Therefore, the experimental data of anti-proton v2 as well as the flow difference between proton and anti-proton can be reasonably described with the potential version of UrQMD.
基金supported by the National Natural Science Foundations of China(41274167,41374166,41474139 and41404117)PKU/UCLA Joint Research Institute in Science and Engineering,partly by the European Space Agency 2013–2014 Guest Investigator Programa working group sponsored by ISSI,Bern
文摘t Magnetic null points and flux ropes play important roles in the three-dimensional process of magnetic reconnection. In this study, a cluster of null points are reconstructed in the reconnection region in the magnetotail by applying a fitting-reconstruction method to measurements from the Cluster mission. The number of recon- structed null points varies rapidly, presenting a turbulentlike evolution of the magnetic structure. The electron density and the flux of the accelerated electrons were enhanced in this turbulent-like region. During this unstable reconnection process, a B-As-B null structure was formed, showing flux rope features and resembling a secondary island in the observation.
基金supported by the Program from Ministry of Science and Technology(Grant Nos.2012CB933003,2013CB932600,2013CB934500&2013YQ16055107)the National Natural Science Foundation of China(Grant Nos.11474337,221322304,51172273&51421002)Strategic Priority Research Program B of the Chinese Academy of Sciences of China(Grant No.XDB07030100)
文摘The dynamic behavior of the interface between few layer graphene(FLG) and tungsten metal tips under Joule heating has been studied by in-situ transmission electron microscopy(TEM) method. High-resolution and real-time observations show the tungsten tip ‘swallow' carbon atoms of the FLG and ‘spit' graphite shells at its surface. The tip was carbonized to tungsten carbide(WC, W_2 C and WC_x) after this process. A carbon diffusion mechanism has been proposed based on the diffusion of carbon atoms through the tungsten tip and separation from the surface of the tip. After Joule heating, the initial FLG-metal mechanical contact was transformed to FLG-WCx-W contact, which results in significant improvement on electrical conductivity at the interface.
基金supported by the Fundamental Research Funds for the Central Universities
文摘The relationship between structure and electronic properties of phosphorus-doped hydrogenated amorphous silicon(a-Si:H) thin films was investigated.Samples with different features were prepared by plasma enhanced chemical vapor deposition(PECVD) at various substrate temperatures.Raman spectroscopy and Fourier transform infrared(FTIR) spectroscopy were used to evaluate the structural evolution,meanwhile,electronic-spin resonance(ESR) and optical measurement were applied to explore the electronic properties of P-doped a-Si:H thin films.The results revealed that the changes in materials structure affect directly the electronic properties and the doping efficiency of dopant.
基金supported by the National Natural Science Foundation of China(Grant Nos.11490563,11375269 and 11321064)the National Key Basic Research Development Program(Grant No.2013CB834406)
文摘The observation of 26Al is an useful tool for γ-ray astronomy and in studies of galactic chemical evolution. The most likely mechanism for 26Al nucleosynthesis is in the hydrogen burning MgAI cycle, and the 26Al production reaction 25Mg(p, γ)26Al at the important temperature range below T = 0.2 GK is still not well known. The spectroscopic factor of 58 keV resonance level in 26Al is determined with shell model calculation and then used to deduce the resonance strength of the 25Mg(p, γ)26Al reaction. The result provides a reference for the future 25Mg(p, γ)26Al direct measurement at Jinping underground laboratory.