Zinc-air batteries(ZABs)are promising energy storage systems because of high theoretical energy density,safety,low cost,and abundance of zinc.However,the slow multi-step reaction of oxygen and heavy reliance on noble-...Zinc-air batteries(ZABs)are promising energy storage systems because of high theoretical energy density,safety,low cost,and abundance of zinc.However,the slow multi-step reaction of oxygen and heavy reliance on noble-metal catalysts hinder the practical applications of ZABs.Therefore,feasible and advanced non-noble-metal elec-trocatalysts for air cathodes need to be identified to promote the oxygen catalytic reaction.In this review,we initially introduced the advancement of ZABs in the past two decades and provided an overview of key developments in this field.Then,we discussed the work-ing mechanism and the design of bifunctional electrocatalysts from the perspective of morphology design,crystal structure tuning,interface strategy,and atomic engineering.We also included theoretical studies,machine learning,and advanced characterization technologies to provide a comprehensive understanding of the structure-performance relationship of electrocatalysts and the reaction pathways of the oxygen redox reactions.Finally,we discussed the challenges and prospects related to designing advanced non-noble-metal bifunctional electrocatalysts for ZABs.展开更多
Electroencephalography(EEG)is a non-invasive measurement method for brain activity.Due to its safety,high resolution,and hypersensitivity to dynamic changes in brain neural signals,EEG has aroused much interest in sci...Electroencephalography(EEG)is a non-invasive measurement method for brain activity.Due to its safety,high resolution,and hypersensitivity to dynamic changes in brain neural signals,EEG has aroused much interest in scientific research and medical felds.This article reviews the types of EEG signals,multiple EEG signal analysis methods,and the application of relevant methods in the neuroscience feld and for diagnosing neurological diseases.First,3 types of EEG signals,including time-invariant EEG,accurate event-related EEG,and random event-related EEG,are introduced.Second,5 main directions for the methods of EEG analysis,including power spectrum analysis,time-frequency analysis,connectivity analysis,source localization methods,and machine learning methods,are described in the main section,along with diferent sub-methods and effect evaluations for solving the same problem.Finally,the application scenarios of different EEG analysis methods are emphasized,and the advantages and disadvantages of similar methods are distinguished.This article is expected to assist researchers in selecting suitable EEG analysis methods based on their research objectives,provide references for subsequent research,and summarize current issues and prospects for the future.展开更多
The World Trade Organization (WTO), an international organization to deal with the world free trade mechanism, allows for the optimal use of the world's resources in accordance with the objective of sustainable de...The World Trade Organization (WTO), an international organization to deal with the world free trade mechanism, allows for the optimal use of the world's resources in accordance with the objective of sustainable development and the protection of environment and trade. China, as a state member of WTO, is challenged by the WTO's agreements and the principles to guideline China sustainable forest development in the future. Forest resources in China will be protected as the basic sections of natural resources. The administrative function of Chinese government will be reformed by the condition of WTO's principles. So, the aim of China forest sustainable development is prior to deal with the relationship between the environment protection and development of economy. Under the condition of the WTO's principles and as a base on the international customary laws, the issues of China forest sustainable development focus on the China forest system reformation that applies for the China nature forest stratagem by the laws and protects the China environment for the sustainable development under the condition of science development, especially in the China forest protection and in dealing with the relationship among the environment and the economy development and others. Establishing the zoological forest industry is basic requirement by both the WTO's agreements and the WTO's principles, especially under the GATT 1947 Art XX, and other principles to protect the China forest sustainable development and to create the international environment for China forest. Keywords WTO's principles - China forest - Sustainable development CLC number S7-05 Document code B Biography: CAO Pei-zhong (1965-), male, Associate Professor of Shandong Agriculture of University. School of Laws and Literature. LLM of University of Canberra, one of ten lawyers with experience of almost ten years, sent by the Government in 2000, arbitrator and engineer. Chief of Shandong Agriculture University Laws Institution, publishing the papers abroad and in China medium At present, dealing with the project and rescarching on.international litigation, especially the WTO and EU law, is major the directionResponsible editor: Chai Ruihal展开更多
Teaching large,heterogeneous English class is now a teaching fact in China.It brings a lot of practical problems to English teachers who teach that kind of class because of the existence of differences among learners....Teaching large,heterogeneous English class is now a teaching fact in China.It brings a lot of practical problems to English teachers who teach that kind of class because of the existence of differences among learners.This paper aims to provide practical principles illustrated by some scholars to address problems appeared in those classes and achieve the aim of better learning for all members of the class.展开更多
Since the early 20th century, Chinese ELT teachers and researchers have been seeking the best method for ELT. Different methods have been introduced, tried out and found unsatisfactory. In teaching practice, many have...Since the early 20th century, Chinese ELT teachers and researchers have been seeking the best method for ELT. Different methods have been introduced, tried out and found unsatisfactory. In teaching practice, many have come to favor that although no single ELT method can meet all teaching and learning needs, many ELT methods have valuable insights into ELT that should be drawn on. However, teachers need a set of principles to adapt their teaching procedure to the specific circumstances. This paper, through a case teaching plan, presents how to apply varies teaching methods to design teaching plan under the guide of teaching principles.展开更多
Dictionary has many functions, in which the function of definition is of very importance because the main purpose of dictionary is providing the entry's meaning information for the readers so that the readers can ...Dictionary has many functions, in which the function of definition is of very importance because the main purpose of dictionary is providing the entry's meaning information for the readers so that the readers can understand and use the entry-word and the realization of the purpose completely depends on lexicographical definition. However, the function of definition is limited, which need the exemplification to assist it. Therefore, the exemplification becomes very important, too. Good exemplification can assist definition, provide grammatical information, and supplement the information usage and so on. Many researches studied the exemplification of dictionary, its principles and so on. Dictionary changed much with the development of technology and many kinds of electronic dictionaries appeared. Few studies are involved with the new-type dictionary. Based on the general principles of the exemplification in a learner's printed dictionary, it is necessary to construct the general principles about the exemplification in the electronic learner's dictionary.展开更多
"Principles of Communications"课程是通信相关专业的核心基础课程之一。针对传统的"Principles of Communications"课程教学过程中存在的一些问题,本文在师资队伍建设、教材和教学内容选择、教学方法和手段创新..."Principles of Communications"课程是通信相关专业的核心基础课程之一。针对传统的"Principles of Communications"课程教学过程中存在的一些问题,本文在师资队伍建设、教材和教学内容选择、教学方法和手段创新、教学管理和考核方法改革等方面提出了一些独特的见解,在实践教学中取得了良好的效果,不仅提高了学生的学习积极性和主动性,还有助于培养学生的独立思考能力和动手操作能力。展开更多
Su Manshu was a writer and translator in modern China. In addition to his fruitful literary creation, in the aspect of translation, he translated a lot of poetry in English literature, Hugo‘s Les Miserable's and ...Su Manshu was a writer and translator in modern China. In addition to his fruitful literary creation, in the aspect of translation, he translated a lot of poetry in English literature, Hugo‘s Les Miserable's and also some Indian literary works. He is good at making use of old verses to translate poetry. As to translation principles, he advocates "translation without increasing", "translation without increasing ornaments," and practices the method of "translation according to the source text context".展开更多
In order to make a business English training course cost effective, the course is to be designed based on certain language teaching theories and principles involving needs analysis to identify learners' needs and ...In order to make a business English training course cost effective, the course is to be designed based on certain language teaching theories and principles involving needs analysis to identify learners' needs and wants, appropriate teaching approaches and during-and-after evaluation of the training effects.展开更多
A model system consisting of Ni[001]（100）/Ni3Al[001]（100） multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation ...A model system consisting of Ni[001]（100）/Ni3Al[001]（100） multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation results are consistent with the experimental observation that rafted Ni-base superalloys virtually possess a cubic symmetry. The convergence of the elastic properties with respect to the thickness of the multilayers are tested by a series of multilayers from 2γ′＋2γto 10γ′＋10γ atomic layers. The elastic properties are found to vary little with the increase of the multilayer＇s thickness. A Ni/Ni3Al multilayer with 10γ′＋10γ atomic layers （3.54 nm） can be used to simulate the mechanical properties of Ni-base model superalloys. Our calculated elastic constants, bulk modulus, orientation-dependent shear modulus and Young＇s modulus, as well as the Zener anisotropy factor are all compatible with the measured results of Ni-base model superalloys R1 and the advanced commercial superalloys TMS-26, CMSX-4 at a low temperature. The mechanical properties as a function of the γ′ phase volume fraction are calculated by varying the proportion of the γ and γ′ phase in the multilayers. Besides, the mechanical properties of two-phase Ni/Ni3Al multilayer can be well predicted by the Voigt-Reuss-Hill rule of mixtures.展开更多
To maximize the catalytic performance of MoS_(2) in the hydrogen evolution reaction,we investigate the electrocatalytic and photocatalytic performance of monolayer MoS_(2) doped with noble metal(Ag,Au,Cu,Pd,and Pt)usi...To maximize the catalytic performance of MoS_(2) in the hydrogen evolution reaction,we investigate the electrocatalytic and photocatalytic performance of monolayer MoS_(2) doped with noble metal(Ag,Au,Cu,Pd,and Pt)using first principles calculation combined with the climbing image nudged elastic band method.We find the band gap of the monolayer MoS_(2) is reduced significantly by the noble metal doping,which is unfavorable to improving its photocatalytic performance.The optical absorption coefficient shows that the doping does not increase the ability of the monolayer MoS_(2) to absorb visible light.The monolayer MoS_(2) doped with the noble metal is not a potential photocatalyst for the hydrogen evolution reaction because the band edge position of the conduction band minimum is lower than-4.44 eV,the reduction potential of H^(+)/H_(2).Fortunately,the band gap reduction increases the electron transport performance of the monolayer MoS_(2),and the activation energy of water splitting is greatly reduced by the noble metal doping,especially the Pt doping.On the whole,noble metal doping can enhance the electrocatalytic performance of the monolayer MoS_(2).展开更多
The electronic and optical properties of zincblende ZnX（X=S, Se, Te） and ZnX：Co are studied from density functional theory （DFT） based first principles calculations. The local crystal structure changes around the...The electronic and optical properties of zincblende ZnX（X=S, Se, Te） and ZnX：Co are studied from density functional theory （DFT） based first principles calculations. The local crystal structure changes around the Co atoms in the lattice are studied after Co atoms are doped. It is shown that the Co-doped materials have smaller lattice constant （about 0.6%-0.9%）. This is mainly due to the shortened Co-X bond length. The （partial） density of states （DOS） is calculated and differences between the pure and doped materials are studied. Results show that for the Co-doped materials, the valence bands are moving upward due to the existence of Co 3d electron states while the conductance bands are moving downward due to the reduced lattice constants. This results in the narrowed band gap of the doped materials. The complex dielectric indices and the absorption coefficients are calculated to examine the influences of the Co atoms on the optical properties. Results show that for the Co-doped materials, the absorption peaks in the high wavelength region are not as sharp and distinct as the undoped materials, and the absorption ranges are extended to even higher wavelength region.展开更多
The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasin...The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasing pressure and the a-axis is more compressible than the c axis. The Si–O bond distance decreases with increasing pressure, which is in contrast to experimental results reported by Hazen et al. [Hazen R M, Finger L W, Hemley R J and Mao H K 1989 Solid State Communications 725 507–511], and Glinnemann et al. [Glinnemann J, King H E Jr, Schulz H, Hahn T, La Placa S J and Dacol F 1992 Z. Kristallogr. 198 177–212]. The most striking changes are of inter-tetrahedral O–O distances and Si–O–Si angles. The volume of the SiO4^4- tetrahedron decreased by 0.9%（from 0 to 5 GPa）, which suggests that it is relatively rigid.Vibrational models of the quartz modes are identified by visualizing the associated atomic motions. Raman vibrations are mainly controlled by the deformation of the Si O4-4tetrahedron and the changes in the Si–O–Si bonds. Vibrational directions and intensities of atoms in all Raman modes just show little deviations when pressure increases from 0 to 5 GPa.The pressure derivatives（dνi/d P） of the 12 Raman frequencies are obtained at 0 GPa–5 GPa. The calculated results show that first-principles methods can well describe the high-pressure structural properties and Raman spectra of quartz. The combination of first-principles simulations of the Raman frequencies of minerals and Raman spectroscopy experiments is a useful tool for exploring the stress conditions within the Earth.展开更多
We investigate the elastic and the thermodynamic properties of nanolaminate V2GeC by using the ab initio pseudopotential total energy method. The axial compressibility shows that the c axis is always stiffer than the ...We investigate the elastic and the thermodynamic properties of nanolaminate V2GeC by using the ab initio pseudopotential total energy method. The axial compressibility shows that the c axis is always stiffer than the a axis. The elastic constant calculations demonstrate that the structural stability is within 0-800 GPa. The calculations of Young＇s and shear moduli reveal the softening behaviour at about 300 GPa. The Possion ratio makes a higher ionic or a weaker covalent contribution to intra-atomic bonding and the degree of ionicity increases with pressure. The relationship between brittleness and ductility shows that V2GeC is brittle in ambient conditions and the brittleness decreases and ductility increases with pressure. Moveover, we find that V2CeC is largely isotropic in compression and in shear, and the degree of isotropy decreases with pressure. The Griineisen parameter, the Debye temperature and the thermal expansion coefficient are also successfully obtained for the first time.展开更多
Effects of Cr, Mo, and Nb on the ferritic stainless steel ]2（210） grain boundary and intragranularity are investigated using the first-principles principle. Different positions of solute atoms are considered. Struct...Effects of Cr, Mo, and Nb on the ferritic stainless steel ]2（210） grain boundary and intragranularity are investigated using the first-principles principle. Different positions of solute atoms are considered. Structural stability is lowered by Cr doping and enhanced by Mo and Nb doping. A ranking on the effect of solute atoms enhancing the cohesive strength of the grain boundary, from the strongest to the weakest is Cr, Mo, and Nb. Cr clearly prefers to locate in the intragranular region of Fe rather than in the grain boundary, while Mo and Nb tend to segregate to the grain boundary. Solute Mo and Nb atoms possess a strong driving force for segregation to the grain boundary from the intragranular region, which increases the grain boundary embrittlement. For Mo- and Nb-doped systems, a remarkable quantity of electrons accumulate in the region close to Mo （Nb）. Therefore, the bond strength may increase. With Cr, Mo, and Nb additions, an anti-parallel island is formed around the center of the grain boundary.展开更多
Lithium ion batteries（LIBs） are currently best energy storage devices providing rechargeable electrical storage to wide variety of applications – from portable electronics to automobiles. Though, these batteries ar...Lithium ion batteries（LIBs） are currently best energy storage devices providing rechargeable electrical storage to wide variety of applications – from portable electronics to automobiles. Though, these batteries are fully adopted, widely used and commercialized, but researchers are still extensively working on their constituent materials and developing technology to improve their performance. A major part of related research activities is devoted to the electrode of the battery for improvement in its performance thereby addressing issues like safety, lifetime, specific capacity, energy density and most importantly abundance and cost. There are number of cathode materials that have been proposed and tested at laboratory scale and subsequently utilized in commercialized batteries ever since the appearance of LIBs. Owing to the availability of improved computational resources in the last decade, first principles calculation has become a reliable tool and played a vital role to predict the material properties of electrodes prior to their experimental analysis. This review gives a comprehensive insight and thorough analysis of the global research efforts related to the cathode materials based on first principles framework, sheds light on current status of knowledge and explores the ways forward.展开更多
Low dimensional materials are suitable candidates applying in next-generation high-performance electronic,optoelectronic,and energy storage devices because of their uniquely physical and chemical properties.In particu...Low dimensional materials are suitable candidates applying in next-generation high-performance electronic,optoelectronic,and energy storage devices because of their uniquely physical and chemical properties.In particular,one-dimensional(1D)atomic wires(AWs)exfoliating from 1D van der Waals(vdW)bulks are more promising in next generation nanometer(nm)even sub-nm device applications owing to their width of few-atoms scale and free dandling bonds states.Although several 1D AWs have been experimentally prepared,few 1D AW candidates could be practically applied in devices owing to lack of enough suitable 1D AWs.Herein,367 kinds of 1D AWs have been screened and the corresponding computational database including structures,electronic structures,magnetic states,and stabilities of these 1D AWs has been organized and established.Among these systems,unary and binary 1D AWs with relatively small exfoliation energy are thermodynamically stable and theoretically feasible to be exfoliated.More significantly,rich quantum states emerge,such as 1D semiconductors,1D metals,1D semimetals,and 1D magnetism.This database will offer an ideal platform to further explore exotic quantum states and exploit practical device applications using 1D materials.The database are openly available at http://www.dx.doi.org/10.11922/sciencedb.j00113.00004.展开更多
The structural, elastic, and thermodynamic properties of cubic-Fe2TiA1 under high temperatures and pressures are investigated by performing ab initio calculation and using the quasi-harmonic Debye model. Some ground s...The structural, elastic, and thermodynamic properties of cubic-Fe2TiA1 under high temperatures and pressures are investigated by performing ab initio calculation and using the quasi-harmonic Debye model. Some ground state properties such as lattice constant, bulk modulus, pressure derivative of the bulk modulus, and elastic constants are in good agreement with the available experimental results and theoretical data. The thermodynamic properties of Fe2TiA1 such as thermal expansion coefficient, Debye temperature, and heat capacity in ranges of 0 K-1200 K and 0 GPa-250 GPa are also obtained. The calculation results indicate that the heat capacities at different pressures all increase with temperature increasing and are close to the Dulong-Petit limit at higher temperatures, Debye temperature decreases with temperature increasing, and increases with pressure rising. The cubic-FezTiA1 is stable mechanically under 250 GPa. Moreover, under lower pressure, thermal expansion coefficient rises rapidly with temperature increasing, and the increasing rate becomes slow at higher pressure.展开更多
The mechanical properties,thermodynamic properties and electronic structure of Mo1-xTax(Mo-Ta)alloys(x=0,0.0625,0.125,0.25,0.3125,0.5 and 1)were calculated by using firstprinciples.The electronic structure of Mo-Ta al...The mechanical properties,thermodynamic properties and electronic structure of Mo1-xTax(Mo-Ta)alloys(x=0,0.0625,0.125,0.25,0.3125,0.5 and 1)were calculated by using firstprinciples.The electronic structure of Mo-Ta alloys was analysed by the projected density of states(PDOS).The low temperature heat capacity was estimated by Fermi energy and Debye temperature.It is shown that the formation enthalpy will decrease with the increase of Ta content,and the cohesive energy will increase with the increase of the Ta content.On the other hand,the addition of Ta atoms will reduce the strength and improve the ductility of Mo-Ta alloys,the Debye temperature will decrease and the low temperature heat capacity will be improved with the increase of the Ta content.All these results will be useful for the research of new plasma grid(PG)materials,which is mainly used in neutral beam injection(NBI)systems to produce negative hydrogen ions.展开更多
基金the Natural Science Foundation of China(Grant No:22309180)Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No:XDB0600000,XDB0600400)+3 种基金Liaoning Binhai Laboratory,(Grant No:LILBLB-2023-04)Dalian Revitalization Talents Program(Grant No:2022RG01)Youth Science and Technology Foundation of Dalian(Grant No:2023RQ015)the University of Waterloo.
文摘Zinc-air batteries(ZABs)are promising energy storage systems because of high theoretical energy density,safety,low cost,and abundance of zinc.However,the slow multi-step reaction of oxygen and heavy reliance on noble-metal catalysts hinder the practical applications of ZABs.Therefore,feasible and advanced non-noble-metal elec-trocatalysts for air cathodes need to be identified to promote the oxygen catalytic reaction.In this review,we initially introduced the advancement of ZABs in the past two decades and provided an overview of key developments in this field.Then,we discussed the work-ing mechanism and the design of bifunctional electrocatalysts from the perspective of morphology design,crystal structure tuning,interface strategy,and atomic engineering.We also included theoretical studies,machine learning,and advanced characterization technologies to provide a comprehensive understanding of the structure-performance relationship of electrocatalysts and the reaction pathways of the oxygen redox reactions.Finally,we discussed the challenges and prospects related to designing advanced non-noble-metal bifunctional electrocatalysts for ZABs.
基金supported by the STI2030 Major Projects(2021ZD0204300)the National Natural Science Foundation of China(61803003,62003228).
文摘Electroencephalography(EEG)is a non-invasive measurement method for brain activity.Due to its safety,high resolution,and hypersensitivity to dynamic changes in brain neural signals,EEG has aroused much interest in scientific research and medical felds.This article reviews the types of EEG signals,multiple EEG signal analysis methods,and the application of relevant methods in the neuroscience feld and for diagnosing neurological diseases.First,3 types of EEG signals,including time-invariant EEG,accurate event-related EEG,and random event-related EEG,are introduced.Second,5 main directions for the methods of EEG analysis,including power spectrum analysis,time-frequency analysis,connectivity analysis,source localization methods,and machine learning methods,are described in the main section,along with diferent sub-methods and effect evaluations for solving the same problem.Finally,the application scenarios of different EEG analysis methods are emphasized,and the advantages and disadvantages of similar methods are distinguished.This article is expected to assist researchers in selecting suitable EEG analysis methods based on their research objectives,provide references for subsequent research,and summarize current issues and prospects for the future.
文摘The World Trade Organization (WTO), an international organization to deal with the world free trade mechanism, allows for the optimal use of the world's resources in accordance with the objective of sustainable development and the protection of environment and trade. China, as a state member of WTO, is challenged by the WTO's agreements and the principles to guideline China sustainable forest development in the future. Forest resources in China will be protected as the basic sections of natural resources. The administrative function of Chinese government will be reformed by the condition of WTO's principles. So, the aim of China forest sustainable development is prior to deal with the relationship between the environment protection and development of economy. Under the condition of the WTO's principles and as a base on the international customary laws, the issues of China forest sustainable development focus on the China forest system reformation that applies for the China nature forest stratagem by the laws and protects the China environment for the sustainable development under the condition of science development, especially in the China forest protection and in dealing with the relationship among the environment and the economy development and others. Establishing the zoological forest industry is basic requirement by both the WTO's agreements and the WTO's principles, especially under the GATT 1947 Art XX, and other principles to protect the China forest sustainable development and to create the international environment for China forest. Keywords WTO's principles - China forest - Sustainable development CLC number S7-05 Document code B Biography: CAO Pei-zhong (1965-), male, Associate Professor of Shandong Agriculture of University. School of Laws and Literature. LLM of University of Canberra, one of ten lawyers with experience of almost ten years, sent by the Government in 2000, arbitrator and engineer. Chief of Shandong Agriculture University Laws Institution, publishing the papers abroad and in China medium At present, dealing with the project and rescarching on.international litigation, especially the WTO and EU law, is major the directionResponsible editor: Chai Ruihal
文摘Teaching large,heterogeneous English class is now a teaching fact in China.It brings a lot of practical problems to English teachers who teach that kind of class because of the existence of differences among learners.This paper aims to provide practical principles illustrated by some scholars to address problems appeared in those classes and achieve the aim of better learning for all members of the class.
文摘Since the early 20th century, Chinese ELT teachers and researchers have been seeking the best method for ELT. Different methods have been introduced, tried out and found unsatisfactory. In teaching practice, many have come to favor that although no single ELT method can meet all teaching and learning needs, many ELT methods have valuable insights into ELT that should be drawn on. However, teachers need a set of principles to adapt their teaching procedure to the specific circumstances. This paper, through a case teaching plan, presents how to apply varies teaching methods to design teaching plan under the guide of teaching principles.
文摘Dictionary has many functions, in which the function of definition is of very importance because the main purpose of dictionary is providing the entry's meaning information for the readers so that the readers can understand and use the entry-word and the realization of the purpose completely depends on lexicographical definition. However, the function of definition is limited, which need the exemplification to assist it. Therefore, the exemplification becomes very important, too. Good exemplification can assist definition, provide grammatical information, and supplement the information usage and so on. Many researches studied the exemplification of dictionary, its principles and so on. Dictionary changed much with the development of technology and many kinds of electronic dictionaries appeared. Few studies are involved with the new-type dictionary. Based on the general principles of the exemplification in a learner's printed dictionary, it is necessary to construct the general principles about the exemplification in the electronic learner's dictionary.
基金南京理工大学高等教育教学改革研究立项课题"‘Principles of Communications’全英语教学课程建设的研究与实践"(项目编号:2015-B-9)
文摘"Principles of Communications"课程是通信相关专业的核心基础课程之一。针对传统的"Principles of Communications"课程教学过程中存在的一些问题,本文在师资队伍建设、教材和教学内容选择、教学方法和手段创新、教学管理和考核方法改革等方面提出了一些独特的见解,在实践教学中取得了良好的效果,不仅提高了学生的学习积极性和主动性,还有助于培养学生的独立思考能力和动手操作能力。
文摘Su Manshu was a writer and translator in modern China. In addition to his fruitful literary creation, in the aspect of translation, he translated a lot of poetry in English literature, Hugo‘s Les Miserable's and also some Indian literary works. He is good at making use of old verses to translate poetry. As to translation principles, he advocates "translation without increasing", "translation without increasing ornaments," and practices the method of "translation according to the source text context".
文摘In order to make a business English training course cost effective, the course is to be designed based on certain language teaching theories and principles involving needs analysis to identify learners' needs and wants, appropriate teaching approaches and during-and-after evaluation of the training effects.
基金Project supported by the State Key Development Program for Basic Research of China (Grant No 2006CB605102)
文摘A model system consisting of Ni[001]（100）/Ni3Al[001]（100） multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation results are consistent with the experimental observation that rafted Ni-base superalloys virtually possess a cubic symmetry. The convergence of the elastic properties with respect to the thickness of the multilayers are tested by a series of multilayers from 2γ′＋2γto 10γ′＋10γ atomic layers. The elastic properties are found to vary little with the increase of the multilayer＇s thickness. A Ni/Ni3Al multilayer with 10γ′＋10γ atomic layers （3.54 nm） can be used to simulate the mechanical properties of Ni-base model superalloys. Our calculated elastic constants, bulk modulus, orientation-dependent shear modulus and Young＇s modulus, as well as the Zener anisotropy factor are all compatible with the measured results of Ni-base model superalloys R1 and the advanced commercial superalloys TMS-26, CMSX-4 at a low temperature. The mechanical properties as a function of the γ′ phase volume fraction are calculated by varying the proportion of the γ and γ′ phase in the multilayers. Besides, the mechanical properties of two-phase Ni/Ni3Al multilayer can be well predicted by the Voigt-Reuss-Hill rule of mixtures.
基金the Joint Funds of the National Natural Science Foundation of China(Grant No.U1967212)the National Science and Technology Major Project of China(Grant No.2019XS06004009)the Fundamental Research Funds for the Central Universities(Grant No.2018ZD10).
文摘To maximize the catalytic performance of MoS_(2) in the hydrogen evolution reaction,we investigate the electrocatalytic and photocatalytic performance of monolayer MoS_(2) doped with noble metal(Ag,Au,Cu,Pd,and Pt)using first principles calculation combined with the climbing image nudged elastic band method.We find the band gap of the monolayer MoS_(2) is reduced significantly by the noble metal doping,which is unfavorable to improving its photocatalytic performance.The optical absorption coefficient shows that the doping does not increase the ability of the monolayer MoS_(2) to absorb visible light.The monolayer MoS_(2) doped with the noble metal is not a potential photocatalyst for the hydrogen evolution reaction because the band edge position of the conduction band minimum is lower than-4.44 eV,the reduction potential of H^(+)/H_(2).Fortunately,the band gap reduction increases the electron transport performance of the monolayer MoS_(2),and the activation energy of water splitting is greatly reduced by the noble metal doping,especially the Pt doping.On the whole,noble metal doping can enhance the electrocatalytic performance of the monolayer MoS_(2).
基金Project supported by the National Natural Science Foundation of China （Grant No 10564002） and the 0pen Foundations of Key Laboratory for 0pto-electronics of Jiangxi Province, China （Grant Nos 2004003 and 2004008）, the Natural Science Foundation of Jiangxi Province, China （Grant No 0512017） and the Youth Science Program of Jiangxi Normal University, China（Grant No 1075）.
文摘The electronic and optical properties of zincblende ZnX（X=S, Se, Te） and ZnX：Co are studied from density functional theory （DFT） based first principles calculations. The local crystal structure changes around the Co atoms in the lattice are studied after Co atoms are doped. It is shown that the Co-doped materials have smaller lattice constant （about 0.6%-0.9%）. This is mainly due to the shortened Co-X bond length. The （partial） density of states （DOS） is calculated and differences between the pure and doped materials are studied. Results show that for the Co-doped materials, the valence bands are moving upward due to the existence of Co 3d electron states while the conductance bands are moving downward due to the reduced lattice constants. This results in the narrowed band gap of the doped materials. The complex dielectric indices and the absorption coefficients are calculated to examine the influences of the Co atoms on the optical properties. Results show that for the Co-doped materials, the absorption peaks in the high wavelength region are not as sharp and distinct as the undoped materials, and the absorption ranges are extended to even higher wavelength region.
基金Project supported by the Key Laboratory of Earthquake PredictionInstitute of Earthquake Science+1 种基金China Earthquake Administration(CEA)(Grant No.2012IES010201)the National Natural Science Foundation of China(Grant Nos.41174071 and 41373060)
文摘The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasing pressure and the a-axis is more compressible than the c axis. The Si–O bond distance decreases with increasing pressure, which is in contrast to experimental results reported by Hazen et al. [Hazen R M, Finger L W, Hemley R J and Mao H K 1989 Solid State Communications 725 507–511], and Glinnemann et al. [Glinnemann J, King H E Jr, Schulz H, Hahn T, La Placa S J and Dacol F 1992 Z. Kristallogr. 198 177–212]. The most striking changes are of inter-tetrahedral O–O distances and Si–O–Si angles. The volume of the SiO4^4- tetrahedron decreased by 0.9%（from 0 to 5 GPa）, which suggests that it is relatively rigid.Vibrational models of the quartz modes are identified by visualizing the associated atomic motions. Raman vibrations are mainly controlled by the deformation of the Si O4-4tetrahedron and the changes in the Si–O–Si bonds. Vibrational directions and intensities of atoms in all Raman modes just show little deviations when pressure increases from 0 to 5 GPa.The pressure derivatives（dνi/d P） of the 12 Raman frequencies are obtained at 0 GPa–5 GPa. The calculated results show that first-principles methods can well describe the high-pressure structural properties and Raman spectra of quartz. The combination of first-principles simulations of the Raman frequencies of minerals and Raman spectroscopy experiments is a useful tool for exploring the stress conditions within the Earth.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10974139, 10964002 and 11104247)the Natural Science Foundation of Guizhou Province, China (Grant No. [2009]2066)+1 种基金the Project of Aiding Elites' Research Condition of Guizhou Province, China (Grant No. TZJF-2008-42)the Science Foundation from Education Ministry of Zhejiang Province,China (Grant No. Y201121807)
文摘We investigate the elastic and the thermodynamic properties of nanolaminate V2GeC by using the ab initio pseudopotential total energy method. The axial compressibility shows that the c axis is always stiffer than the a axis. The elastic constant calculations demonstrate that the structural stability is within 0-800 GPa. The calculations of Young＇s and shear moduli reveal the softening behaviour at about 300 GPa. The Possion ratio makes a higher ionic or a weaker covalent contribution to intra-atomic bonding and the degree of ionicity increases with pressure. The relationship between brittleness and ductility shows that V2GeC is brittle in ambient conditions and the brittleness decreases and ductility increases with pressure. Moveover, we find that V2CeC is largely isotropic in compression and in shear, and the degree of isotropy decreases with pressure. The Griineisen parameter, the Debye temperature and the thermal expansion coefficient are also successfully obtained for the first time.
基金Project supported by the National Natural Science Foundation of China(Grant No.51371123)the Specialized Research Foundation of the Doctoral Program for Institution of Higher Education of China(Grant No.2013140211003)+1 种基金the Science and Technology Research Project of Municipal Education Commission of Chongqin,China(Grant Nos.KJ131308 and KJ131315)the Natural Science Foundation of Science and Technology Commission of Chongqin,China(Grant No.cstc2012jjA90017)
文摘Effects of Cr, Mo, and Nb on the ferritic stainless steel ]2（210） grain boundary and intragranularity are investigated using the first-principles principle. Different positions of solute atoms are considered. Structural stability is lowered by Cr doping and enhanced by Mo and Nb doping. A ranking on the effect of solute atoms enhancing the cohesive strength of the grain boundary, from the strongest to the weakest is Cr, Mo, and Nb. Cr clearly prefers to locate in the intragranular region of Fe rather than in the grain boundary, while Mo and Nb tend to segregate to the grain boundary. Solute Mo and Nb atoms possess a strong driving force for segregation to the grain boundary from the intragranular region, which increases the grain boundary embrittlement. For Mo- and Nb-doped systems, a remarkable quantity of electrons accumulate in the region close to Mo （Nb）. Therefore, the bond strength may increase. With Cr, Mo, and Nb additions, an anti-parallel island is formed around the center of the grain boundary.
基金Higprovide financial support vide 6509/Punjab/NRPU/R&D/HEC/2016
文摘Lithium ion batteries（LIBs） are currently best energy storage devices providing rechargeable electrical storage to wide variety of applications – from portable electronics to automobiles. Though, these batteries are fully adopted, widely used and commercialized, but researchers are still extensively working on their constituent materials and developing technology to improve their performance. A major part of related research activities is devoted to the electrode of the battery for improvement in its performance thereby addressing issues like safety, lifetime, specific capacity, energy density and most importantly abundance and cost. There are number of cathode materials that have been proposed and tested at laboratory scale and subsequently utilized in commercialized batteries ever since the appearance of LIBs. Owing to the availability of improved computational resources in the last decade, first principles calculation has become a reliable tool and played a vital role to predict the material properties of electrodes prior to their experimental analysis. This review gives a comprehensive insight and thorough analysis of the global research efforts related to the cathode materials based on first principles framework, sheds light on current status of knowledge and explores the ways forward.
基金the National Key Research and Development Program of China(Grant No.2017YFE0129000)the National Natural Science Foundation of China(Grant Nos.51871121,11874223,and 11404172).
文摘Low dimensional materials are suitable candidates applying in next-generation high-performance electronic,optoelectronic,and energy storage devices because of their uniquely physical and chemical properties.In particular,one-dimensional(1D)atomic wires(AWs)exfoliating from 1D van der Waals(vdW)bulks are more promising in next generation nanometer(nm)even sub-nm device applications owing to their width of few-atoms scale and free dandling bonds states.Although several 1D AWs have been experimentally prepared,few 1D AW candidates could be practically applied in devices owing to lack of enough suitable 1D AWs.Herein,367 kinds of 1D AWs have been screened and the corresponding computational database including structures,electronic structures,magnetic states,and stabilities of these 1D AWs has been organized and established.Among these systems,unary and binary 1D AWs with relatively small exfoliation energy are thermodynamically stable and theoretically feasible to be exfoliated.More significantly,rich quantum states emerge,such as 1D semiconductors,1D metals,1D semimetals,and 1D magnetism.This database will offer an ideal platform to further explore exotic quantum states and exploit practical device applications using 1D materials.The database are openly available at http://www.dx.doi.org/10.11922/sciencedb.j00113.00004.
基金supported by the Advanced Research Foundation,China(Grant No.20100210)
文摘The structural, elastic, and thermodynamic properties of cubic-Fe2TiA1 under high temperatures and pressures are investigated by performing ab initio calculation and using the quasi-harmonic Debye model. Some ground state properties such as lattice constant, bulk modulus, pressure derivative of the bulk modulus, and elastic constants are in good agreement with the available experimental results and theoretical data. The thermodynamic properties of Fe2TiA1 such as thermal expansion coefficient, Debye temperature, and heat capacity in ranges of 0 K-1200 K and 0 GPa-250 GPa are also obtained. The calculation results indicate that the heat capacities at different pressures all increase with temperature increasing and are close to the Dulong-Petit limit at higher temperatures, Debye temperature decreases with temperature increasing, and increases with pressure rising. The cubic-FezTiA1 is stable mechanically under 250 GPa. Moreover, under lower pressure, thermal expansion coefficient rises rapidly with temperature increasing, and the increasing rate becomes slow at higher pressure.
基金supported by National Natural Science Foundation of China(No.11820101004)the National Key R&D Program of China(2017YFE0300100,2017YFE0301100)。
文摘The mechanical properties,thermodynamic properties and electronic structure of Mo1-xTax(Mo-Ta)alloys(x=0,0.0625,0.125,0.25,0.3125,0.5 and 1)were calculated by using firstprinciples.The electronic structure of Mo-Ta alloys was analysed by the projected density of states(PDOS).The low temperature heat capacity was estimated by Fermi energy and Debye temperature.It is shown that the formation enthalpy will decrease with the increase of Ta content,and the cohesive energy will increase with the increase of the Ta content.On the other hand,the addition of Ta atoms will reduce the strength and improve the ductility of Mo-Ta alloys,the Debye temperature will decrease and the low temperature heat capacity will be improved with the increase of the Ta content.All these results will be useful for the research of new plasma grid(PG)materials,which is mainly used in neutral beam injection(NBI)systems to produce negative hydrogen ions.
