Tuning of the magnetic interaction plays the vital role in reducing the clustering of magnetic dopant in diluted magnetic semiconductors(DMS).Due to the not well understood magnetic mechanism and the interplay between...Tuning of the magnetic interaction plays the vital role in reducing the clustering of magnetic dopant in diluted magnetic semiconductors(DMS).Due to the not well understood magnetic mechanism and the interplay between different magnetic mechanisms,no efficient and universal tuning strategy is proposed at present.Here,the magnetic interactions and formation energies of isovalent-doped(Mn) and aliovalent(Cr)-doped LiZnAs are studied based on density functional theory(DFT).It is found that the dopant–dopant distance-dependent magnetic interaction is highly sensitive to the carrier concentration and carrier type and can only be explained by the interplay between two magnetic mechanisms,i.e.,superexchange and Zener’s p–d exchange model.Thus,the magnetic behavior and clustering of magnetic dopant can be tuned by the interplay between two magnetic mechanisms.The insensitivity of the tuning effect to U parameter suggests that our strategy could be universal to other DMS.展开更多
We have successfully developed cryogen-free dilution refrigerators with medium cooling power that can be applied to quantum experiments. Breakthroughs have been made in some key technologies and components of heat swi...We have successfully developed cryogen-free dilution refrigerators with medium cooling power that can be applied to quantum experiments. Breakthroughs have been made in some key technologies and components of heat switches and dilution units. Our prototype has been running continuously and stably for more than 100 hours below 10 m K, with a minimum temperature of 7.6 m K and a cooling power of 450 μW at 100 m K. At the same time, we have also made progress in the application of dilution refrigerators, such as quantum computing, low-temperature detector, and magnet integration. These indicators and test results indicate good prospects for application in physics, astronomy, and quantum information.展开更多
The influence of the slip mode on the microstructure evolution and compressive flow behavior at different strains in an extruded dilute Mg−0.5Bi−0.5Sn−0.5Mn alloy was analyzed through electron backscatter diffraction,...The influence of the slip mode on the microstructure evolution and compressive flow behavior at different strains in an extruded dilute Mg−0.5Bi−0.5Sn−0.5Mn alloy was analyzed through electron backscatter diffraction,X-ray diffraction,transmission electron microscopy,and hot compression tests.The results showed that at a low strain of 0.05,the basal,pyramidaland<c+a>slip modes were simultaneously activated.Nevertheless,at the middle stage of deformation(strain of 0.1,0.2 and 0.5),theslip mode was difficult to be activated and<c+a>slip mode became dominant.The deformation process between strains of 0.2 and 0.5 was primarily characterized by the softening effect resulting from the simultaneous occurrence of continuous dynamic recrystallization and discontinuous dynamic recrystallization.Ultimately,at strain of 0.8,a dynamic equilibrium was established,with the flow stress remaining constant due to the interplay between the dynamic softening brought about by discontinuous dynamic recrystallization and the work-hardening effect induced by the activation of the basalslip mode.展开更多
Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work ...Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation.展开更多
The band structure,DOSs,and optical properties of(Y_(0.75)Ca_(0.25))(Cu_(0.75)Mn_(0.25))SO,including dielectric function,absorption function,reflection function,and energy loss spectrum were studied by using the first...The band structure,DOSs,and optical properties of(Y_(0.75)Ca_(0.25))(Cu_(0.75)Mn_(0.25))SO,including dielectric function,absorption function,reflection function,and energy loss spectrum were studied by using the first-principles calculation.The calculation results indicate that(Y_(0.75)Ca_(0.25))(Cu_(0.75)Mn_(0.25))SO is a direct bandgap semiconductor with a bandgap of 1.1 eV.The Fermi surface is asymmetric and exhibits spin splitting phenomenon.The new type of dilute magnetic semiconductor(Y_(0.75)Ca_(0.25))(Cu_(0.75)Mn_(0.25))SO exhibits significant light loss around 70 eV,with light reflection gradually increasing after 30 eV,and light absorption mainly occurring around 8-30 eV.These results also provide a basis for the discovery of more types of 1111 phase new dilute magnetic semiconductors in the future.展开更多
[ Objective] The aim was to study pretreatment of ultrasound enhancing dilute H2SO4 on cellulase activity of corn straw liquid fermentation and explore the pretretment' s optimal conditions. [ Method ] By using ortho...[ Objective] The aim was to study pretreatment of ultrasound enhancing dilute H2SO4 on cellulase activity of corn straw liquid fermentation and explore the pretretment' s optimal conditions. [ Method ] By using orthogonal test, the pretretment of ultrasound enhancing dilute H2SO4 on corn straw was studied, then straw was fermented as the sole carbon source. Finally, the cellulase activity in extracellular fermentation broth was determined. [Result] The results showed that cellulase activity in extracellular broth was greatest under the conditions of acid bath time 3 h, acid concentration 3.5%, ultrasonic power 150 W, and ultrasonic time 5 h. They were FPA 15.82 U/ml, Cx 39.9 U/ml, 13-Giu 55.94 U/ml respectively. [ Conclusion] Under the above conditions, extracellular cellulase production has a high stability.展开更多
[Objective] This study was to explore the effects of dilute acid hydrolysis on fermentative biohydrogen production capacity of maize stalk. [Method] Using maize stalks subjected to mechanical disintegration,steam expl...[Objective] This study was to explore the effects of dilute acid hydrolysis on fermentative biohydrogen production capacity of maize stalk. [Method] Using maize stalks subjected to mechanical disintegration,steam explosion and dilute acid hydrolysis as experimental materials,we measured and analyzed the effects of different treatments and particle size of maize stalk were analyzed. [Result] The optimal fermentative biohydrogen production was found under following parameters:pretreatment of 0.8% dilute H2SO4 following steam explosion,particle size of maize stalk of 0.425-0.850 mm,liquid-solid ratio [0.8% H2SO4 (M):stalk (W)] of 10:1. [Conclusion] Post steam explosion,dilute 0.8% dilute H2SO4 intensified hydrolysis on maize stalk could produce fermentative biohydrogen production capacity.展开更多
Magnetism and the stability of (Ga 1-xFe x)As are investigated using the first principles LMTO-ASA band calculation by assuming supercell structures.Four concentrations of the 3d impurities are studied (x=1,1/2,1/...Magnetism and the stability of (Ga 1-xFe x)As are investigated using the first principles LMTO-ASA band calculation by assuming supercell structures.Four concentrations of the 3d impurities are studied (x=1,1/2,1/4,and 1/8).The results show the effect of varying Fe concentration on the magnetic and stable properties.展开更多
The optical absorption spectra of the covalent crystals ZnX(X=S,Se) doped with Co 2+ are studied using the double covalency factors,which considers the anisotropic distortion of e g and t 2g orbits for d el...The optical absorption spectra of the covalent crystals ZnX(X=S,Se) doped with Co 2+ are studied using the double covalency factors,which considers the anisotropic distortion of e g and t 2g orbits for d electron.When the paramagnetic g factor is calculated,the contributions of the spin orbit coupling from the ligand ions are taken into account besides that from the central ion,which is the double ξ model.The calculated results indicate that the theoretical values coincide with the experimental values very well.This suggests that the method presented in this paper could be more valid to some strongly covalent crystals.展开更多
We investigate the electronic and magnetic properties of the diluted magnetic semiconductors Zn1-xMnxS(001) thin films with different Mn doping concentrations using the total energy density functional theory. The en...We investigate the electronic and magnetic properties of the diluted magnetic semiconductors Zn1-xMnxS(001) thin films with different Mn doping concentrations using the total energy density functional theory. The energy stability and density of states of a single Mn atom and two Mn atoms at various doped configurations and different magnetic coupling state were calculated. Different doping configurations have different degrees of p-d hybridization, and because Mn atoms are located in different crystal-field environment, the 3d projected densities of states peak splitting of different Mn doping configurations are quite different. In the two Mn atoms doped, the calculated ground states of three kinds of stable configurations are anti-ferromagnetic state. We analyzed the 3d density of states diagram of three kinds of energy stability configurations with the two Mn atoms in different magnetic coupling state. When the two Mn atoms are ferromagnetic coupling, due to d-d electron interactions, density of states of anti-bonding state have significant broadening peaks. As the concentration of Mn atoms increases, there is a tendency for Mn atoms to form nearest neighbors and cluster around S. For such these configurations, the antiferromagnetic coupling between Mn atoms is energetically more favorable.展开更多
A large area hypoxia has been already reported respectively by two interdisciplinary surveys off the Changjiang Estuary since summer of 1999 and 2006. The bypoxic zone shows distinct year-to-year variations. Observed ...A large area hypoxia has been already reported respectively by two interdisciplinary surveys off the Changjiang Estuary since summer of 1999 and 2006. The bypoxic zone shows distinct year-to-year variations. Observed oceanographic data are first analysized and reveal a big difference for the Changjiang Diluted Water (CDW) between these two periods. These great changes are related to the tremendous reduction of the freshwater discharge and variations of wind fields between these two years. It is also found that the monthly mean intrusion of Kuroshio and its branches has increased in the northern East China Sea (ECS), but decreased in the southern ECS in August of 2006 as compared with 1999 on the base of general circulation models. Then, the Regional Ocean Modelling Systems is applied to the East China Sea to evaluate the contributions and relative importance of impacts from the river discharge, wind forcing and open boundary data. Our simulations reproduce the phenomena that more fresh water extends northeastward in 2006 and forms a negative SSS anomaly to the northeast of the river mouth as compared with 1999, which is consistent with observations. The five group numerical tests suggest that the wind forcing dominates the CDW variations followed by the Kuroshio and its branches. The study implies important roles played by hydrodynamic processes on the variability of hypoxic zone in the study areas.展开更多
A novel industrial process was designed for the highly selective production of ethylbenzene. It comprised of a reactor vessel, vapor phase ethylene feed stream, benzene and transalkylation feed stream. Especially the ...A novel industrial process was designed for the highly selective production of ethylbenzene. It comprised of a reactor vessel, vapor phase ethylene feed stream, benzene and transalkylation feed stream. Especially the product stream containing ethylbenzene was used to heat the reactor vessel, which consisted of an alkylation section, an upper heat exchange section, and a bottom heat exchange section. In such a novel reactor, vapor phase benzene and liquid phase benzene were coexisted due to the heat produced by isothermal reaction between the upper heat exchange section and the bottom heat exchange section. The process was demonstrated by the thermodynamic analysis and experimental results. In fact, during the 1010 hour-life-test of gas phase ethene with gas phase-liquid phase benzene alkylation reaction, the ethene conversion was above 95%, and the ethylbenzene selectivity was above 83% (only benzene feed) and even higher than 99% (benzene plus transalkylation feed). At the same time, the xylene content in the ethylbenzene was less than 100 ppm when the reaction was carried out under the reaction conditions of 140-185℃ of temperature, 1.6-2.1 MPa of pressure, 3.0-5.5 of benzene/ethylene mole ratio, 4-6 v% of transalkylation feed/(benzene+transalkylation feed), 0.19-0.27 h^-1 of ethene space velocity, and 1000 g of 3998 catalyst loaded. Thus, compared with the conventional ethylbenzene synthesis route, the transalkylation reactor could be omitted in this novel industrial process.展开更多
The effects of feed strength, hydraulic residence time (HRT), and operational temperatures on soluble microbial product (SMP) production were investigated, to gain insights into the production mechanism. A carrier...The effects of feed strength, hydraulic residence time (HRT), and operational temperatures on soluble microbial product (SMP) production were investigated, to gain insights into the production mechanism. A carrier anaerobic baffled reactor (CABR) treating dilute wastewater was operated under a wide range of operational conditions, namely, feed strengths of 300-600 mg/L, HRTs of 9- 18 h, and temperatures of 10-28℃. Generally, SMP production increased with increasing feed strength and decreasing temperature. At high temperature (28℃), SMP production increased with decreasing HRT. As the temperature was decreased to 18 and 10℃, the SMP production was at its peak for 12 h HRT. Therefore, temperature could be an important determinant of SMP production along with HRT. A higher SMP to soluble chemical oxygen demand (SCOD) ratio was found at high temperature and long HRT because of complete volatile fatty acid degradation. SMP accounted for 50%-75% of the SCOD in the last chamber of the CABR. As a secondary metabolite, some SMP could be consumed at lower feed strength.展开更多
To improve the positioning accuracy in GPS point positioning, the geometric dilution of precision (GDOP) including HDOP, VDOP, TDOP, PDOP is commonly considered. The properties of the DOP for the GPS satellite navig...To improve the positioning accuracy in GPS point positioning, the geometric dilution of precision (GDOP) including HDOP, VDOP, TDOP, PDOP is commonly considered. The properties of the DOP for the GPS satellite navigation system are studied and the coordinate system is improved in order to decrease the amount of variables. In the end, by simulation and discussing the results, the corresponding conclusions are presented.展开更多
High quality nano-sized zirconium carbide (ZrC) powders were successfully fabricated via a developed chemical active dilution self-propagating high-temperature synthesis (SHS) method assisted by ball milling pretr...High quality nano-sized zirconium carbide (ZrC) powders were successfully fabricated via a developed chemical active dilution self-propagating high-temperature synthesis (SHS) method assisted by ball milling pretreatment process using traditional cheap zirconium dioxide powder (ZrO2), magnesium powder (Mg) and sucrose (C12H22Oll) as raw materials. FSEM, TEM, HRTEM, SAED, XRD, FTIR and Raman, ICP- AES, laser particle size analyzer, oxygen and nitrogen analyzer, carbon/sulfur determinator and TG-DSC were employed for the characterization of the morphology, structure, chemical composition and thermal stability of the as-synthesized ZrC samples. The as-synthesized samples demonstrated high purity, low oxygen content and evenly distributed ZrC nano-powders with an average particle size of 50nm. In addition, the effects of endothermic rate and the possible chemical reaction mechanism were also discussed.展开更多
基金Project supported by the Natural Science Foundation of Shaanxi Province of China(Grant No.2013JQ1018)the Natural Science Foundation of Department of Education of Shaanxi Province of China(Grant No.15JK1759)+3 种基金the Double First-class University Construction Project of Northwest Universitythe financial support of Chinese University of Hong Kong(CUHK)(Grant No.4053084)University Grants Committee of Hong Kong,China(Grant No.24300814)start-up funding of CUHK。
文摘Tuning of the magnetic interaction plays the vital role in reducing the clustering of magnetic dopant in diluted magnetic semiconductors(DMS).Due to the not well understood magnetic mechanism and the interplay between different magnetic mechanisms,no efficient and universal tuning strategy is proposed at present.Here,the magnetic interactions and formation energies of isovalent-doped(Mn) and aliovalent(Cr)-doped LiZnAs are studied based on density functional theory(DFT).It is found that the dopant–dopant distance-dependent magnetic interaction is highly sensitive to the carrier concentration and carrier type and can only be explained by the interplay between two magnetic mechanisms,i.e.,superexchange and Zener’s p–d exchange model.Thus,the magnetic behavior and clustering of magnetic dopant can be tuned by the interplay between two magnetic mechanisms.The insensitivity of the tuning effect to U parameter suggests that our strategy could be universal to other DMS.
基金supported by the Beijing Commission of Science and Technology(Grant No.Z211100004021012)Special Research Assistant Program of the Chinese Academy of Sciences(Grant No.E3VP021RX4)。
文摘We have successfully developed cryogen-free dilution refrigerators with medium cooling power that can be applied to quantum experiments. Breakthroughs have been made in some key technologies and components of heat switches and dilution units. Our prototype has been running continuously and stably for more than 100 hours below 10 m K, with a minimum temperature of 7.6 m K and a cooling power of 450 μW at 100 m K. At the same time, we have also made progress in the application of dilution refrigerators, such as quantum computing, low-temperature detector, and magnet integration. These indicators and test results indicate good prospects for application in physics, astronomy, and quantum information.
基金supported by the National Natural Science Foundation of China (No.51901153)Shanxi Scholarship Council of China (No.2019032)+2 种基金Natural Science Foundation of Shanxi Province,China (No.202103021224049)the Shanxi Zhejiang University New Materials and Chemical Research Institute Scientific Research Project,China (No.2022SX-TD025)the Open Project of Salt Lake Chemical Engineering Research Complex,Qinghai University,China (No.2023-DXSSKF-Z02)。
文摘The influence of the slip mode on the microstructure evolution and compressive flow behavior at different strains in an extruded dilute Mg−0.5Bi−0.5Sn−0.5Mn alloy was analyzed through electron backscatter diffraction,X-ray diffraction,transmission electron microscopy,and hot compression tests.The results showed that at a low strain of 0.05,the basal,pyramidaland<c+a>slip modes were simultaneously activated.Nevertheless,at the middle stage of deformation(strain of 0.1,0.2 and 0.5),theslip mode was difficult to be activated and<c+a>slip mode became dominant.The deformation process between strains of 0.2 and 0.5 was primarily characterized by the softening effect resulting from the simultaneous occurrence of continuous dynamic recrystallization and discontinuous dynamic recrystallization.Ultimately,at strain of 0.8,a dynamic equilibrium was established,with the flow stress remaining constant due to the interplay between the dynamic softening brought about by discontinuous dynamic recrystallization and the work-hardening effect induced by the activation of the basalslip mode.
基金financial support for this work provided by Eski sehir Technical University Scientific Research Projects Unit with Grant Number 20DRP059support provided by the Turkish Ministry of Science,Industry and Technology under the SANTEZ Project 0286.STZ.2013±2。
文摘Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation.
文摘The band structure,DOSs,and optical properties of(Y_(0.75)Ca_(0.25))(Cu_(0.75)Mn_(0.25))SO,including dielectric function,absorption function,reflection function,and energy loss spectrum were studied by using the first-principles calculation.The calculation results indicate that(Y_(0.75)Ca_(0.25))(Cu_(0.75)Mn_(0.25))SO is a direct bandgap semiconductor with a bandgap of 1.1 eV.The Fermi surface is asymmetric and exhibits spin splitting phenomenon.The new type of dilute magnetic semiconductor(Y_(0.75)Ca_(0.25))(Cu_(0.75)Mn_(0.25))SO exhibits significant light loss around 70 eV,with light reflection gradually increasing after 30 eV,and light absorption mainly occurring around 8-30 eV.These results also provide a basis for the discovery of more types of 1111 phase new dilute magnetic semiconductors in the future.
基金Supported by the National Key Technology R&D Program during the11~(th)five-year Plan(2007BAD34B03)the Important Project of Ministryof Education(107127)Scientific Research Foundation ofHefei University of Technology(113-036404)~~
文摘[ Objective] The aim was to study pretreatment of ultrasound enhancing dilute H2SO4 on cellulase activity of corn straw liquid fermentation and explore the pretretment' s optimal conditions. [ Method ] By using orthogonal test, the pretretment of ultrasound enhancing dilute H2SO4 on corn straw was studied, then straw was fermented as the sole carbon source. Finally, the cellulase activity in extracellular fermentation broth was determined. [Result] The results showed that cellulase activity in extracellular broth was greatest under the conditions of acid bath time 3 h, acid concentration 3.5%, ultrasonic power 150 W, and ultrasonic time 5 h. They were FPA 15.82 U/ml, Cx 39.9 U/ml, 13-Giu 55.94 U/ml respectively. [ Conclusion] Under the above conditions, extracellular cellulase production has a high stability.
基金Supported by National Basic Research Program of China(2006CB708407 2009CB220005)+2 种基金National Natural Science Foun-dation of China (90610001 20871106)Program of 211 Projectfor Zhengzhou University from Ministry of Education~~
文摘[Objective] This study was to explore the effects of dilute acid hydrolysis on fermentative biohydrogen production capacity of maize stalk. [Method] Using maize stalks subjected to mechanical disintegration,steam explosion and dilute acid hydrolysis as experimental materials,we measured and analyzed the effects of different treatments and particle size of maize stalk were analyzed. [Result] The optimal fermentative biohydrogen production was found under following parameters:pretreatment of 0.8% dilute H2SO4 following steam explosion,particle size of maize stalk of 0.425-0.850 mm,liquid-solid ratio [0.8% H2SO4 (M):stalk (W)] of 10:1. [Conclusion] Post steam explosion,dilute 0.8% dilute H2SO4 intensified hydrolysis on maize stalk could produce fermentative biohydrogen production capacity.
文摘Magnetism and the stability of (Ga 1-xFe x)As are investigated using the first principles LMTO-ASA band calculation by assuming supercell structures.Four concentrations of the 3d impurities are studied (x=1,1/2,1/4,and 1/8).The results show the effect of varying Fe concentration on the magnetic and stable properties.
文摘The optical absorption spectra of the covalent crystals ZnX(X=S,Se) doped with Co 2+ are studied using the double covalency factors,which considers the anisotropic distortion of e g and t 2g orbits for d electron.When the paramagnetic g factor is calculated,the contributions of the spin orbit coupling from the ligand ions are taken into account besides that from the central ion,which is the double ξ model.The calculated results indicate that the theoretical values coincide with the experimental values very well.This suggests that the method presented in this paper could be more valid to some strongly covalent crystals.
基金This work was supported by the National Natural Science Foundation of China (No.60776039 and No.60406005), the Natural Science Foundation of Beijing (No.3062016), and the School Foundation of Beijing Jiaotong University.
文摘We investigate the electronic and magnetic properties of the diluted magnetic semiconductors Zn1-xMnxS(001) thin films with different Mn doping concentrations using the total energy density functional theory. The energy stability and density of states of a single Mn atom and two Mn atoms at various doped configurations and different magnetic coupling state were calculated. Different doping configurations have different degrees of p-d hybridization, and because Mn atoms are located in different crystal-field environment, the 3d projected densities of states peak splitting of different Mn doping configurations are quite different. In the two Mn atoms doped, the calculated ground states of three kinds of stable configurations are anti-ferromagnetic state. We analyzed the 3d density of states diagram of three kinds of energy stability configurations with the two Mn atoms in different magnetic coupling state. When the two Mn atoms are ferromagnetic coupling, due to d-d electron interactions, density of states of anti-bonding state have significant broadening peaks. As the concentration of Mn atoms increases, there is a tendency for Mn atoms to form nearest neighbors and cluster around S. For such these configurations, the antiferromagnetic coupling between Mn atoms is energetically more favorable.
基金The Ministry of Science and Technology of China under contract Nos 2006CB400603 and 2008BAC42B02the National Natural Science Foundation of China under contract Nos 40706018 and 40776021+1 种基金the National Natural Science Foundation of Zhejiang Province under contract No.Y507229"908" project under contract Nos 908-01-BC06 and 908-ZC-I-01
文摘A large area hypoxia has been already reported respectively by two interdisciplinary surveys off the Changjiang Estuary since summer of 1999 and 2006. The bypoxic zone shows distinct year-to-year variations. Observed oceanographic data are first analysized and reveal a big difference for the Changjiang Diluted Water (CDW) between these two periods. These great changes are related to the tremendous reduction of the freshwater discharge and variations of wind fields between these two years. It is also found that the monthly mean intrusion of Kuroshio and its branches has increased in the northern East China Sea (ECS), but decreased in the southern ECS in August of 2006 as compared with 1999 on the base of general circulation models. Then, the Regional Ocean Modelling Systems is applied to the East China Sea to evaluate the contributions and relative importance of impacts from the river discharge, wind forcing and open boundary data. Our simulations reproduce the phenomena that more fresh water extends northeastward in 2006 and forms a negative SSS anomaly to the northeast of the river mouth as compared with 1999, which is consistent with observations. The five group numerical tests suggest that the wind forcing dominates the CDW variations followed by the Kuroshio and its branches. The study implies important roles played by hydrodynamic processes on the variability of hypoxic zone in the study areas.
基金This work is supported by the National 973 Project of China (2009CB623501)
文摘A novel industrial process was designed for the highly selective production of ethylbenzene. It comprised of a reactor vessel, vapor phase ethylene feed stream, benzene and transalkylation feed stream. Especially the product stream containing ethylbenzene was used to heat the reactor vessel, which consisted of an alkylation section, an upper heat exchange section, and a bottom heat exchange section. In such a novel reactor, vapor phase benzene and liquid phase benzene were coexisted due to the heat produced by isothermal reaction between the upper heat exchange section and the bottom heat exchange section. The process was demonstrated by the thermodynamic analysis and experimental results. In fact, during the 1010 hour-life-test of gas phase ethene with gas phase-liquid phase benzene alkylation reaction, the ethene conversion was above 95%, and the ethylbenzene selectivity was above 83% (only benzene feed) and even higher than 99% (benzene plus transalkylation feed). At the same time, the xylene content in the ethylbenzene was less than 100 ppm when the reaction was carried out under the reaction conditions of 140-185℃ of temperature, 1.6-2.1 MPa of pressure, 3.0-5.5 of benzene/ethylene mole ratio, 4-6 v% of transalkylation feed/(benzene+transalkylation feed), 0.19-0.27 h^-1 of ethene space velocity, and 1000 g of 3998 catalyst loaded. Thus, compared with the conventional ethylbenzene synthesis route, the transalkylation reactor could be omitted in this novel industrial process.
文摘The effects of feed strength, hydraulic residence time (HRT), and operational temperatures on soluble microbial product (SMP) production were investigated, to gain insights into the production mechanism. A carrier anaerobic baffled reactor (CABR) treating dilute wastewater was operated under a wide range of operational conditions, namely, feed strengths of 300-600 mg/L, HRTs of 9- 18 h, and temperatures of 10-28℃. Generally, SMP production increased with increasing feed strength and decreasing temperature. At high temperature (28℃), SMP production increased with decreasing HRT. As the temperature was decreased to 18 and 10℃, the SMP production was at its peak for 12 h HRT. Therefore, temperature could be an important determinant of SMP production along with HRT. A higher SMP to soluble chemical oxygen demand (SCOD) ratio was found at high temperature and long HRT because of complete volatile fatty acid degradation. SMP accounted for 50%-75% of the SCOD in the last chamber of the CABR. As a secondary metabolite, some SMP could be consumed at lower feed strength.
基金a grant from Science and Technology Commission of Shanghai Municipality (05dz15006)
文摘To improve the positioning accuracy in GPS point positioning, the geometric dilution of precision (GDOP) including HDOP, VDOP, TDOP, PDOP is commonly considered. The properties of the DOP for the GPS satellite navigation system are studied and the coordinate system is improved in order to decrease the amount of variables. In the end, by simulation and discussing the results, the corresponding conclusions are presented.
基金Funded by the Program for New Century Excellent Talents in University(No.NCET-12-0655)the Guangxi Natural Science Foundation(No.2014GXNSFFA118004)the Self-determined and Innovative Research Funds of WUT(Nos.136643002 and No.2013IV058)
文摘High quality nano-sized zirconium carbide (ZrC) powders were successfully fabricated via a developed chemical active dilution self-propagating high-temperature synthesis (SHS) method assisted by ball milling pretreatment process using traditional cheap zirconium dioxide powder (ZrO2), magnesium powder (Mg) and sucrose (C12H22Oll) as raw materials. FSEM, TEM, HRTEM, SAED, XRD, FTIR and Raman, ICP- AES, laser particle size analyzer, oxygen and nitrogen analyzer, carbon/sulfur determinator and TG-DSC were employed for the characterization of the morphology, structure, chemical composition and thermal stability of the as-synthesized ZrC samples. The as-synthesized samples demonstrated high purity, low oxygen content and evenly distributed ZrC nano-powders with an average particle size of 50nm. In addition, the effects of endothermic rate and the possible chemical reaction mechanism were also discussed.