Grain weight, one of the major factors determining rice yield, is a typical quantitative trait control ed by multiple genes. With Guangluai 4 as recipient and Nipponbare as donor, a population of 119 chromosome single...Grain weight, one of the major factors determining rice yield, is a typical quantitative trait control ed by multiple genes. With Guangluai 4 as recipient and Nipponbare as donor, a population of 119 chromosome single segment substitution lines had been developed. Correlation analysis between grain weight and grain shape by SPSS revealed that 1 000-grain weight shared extremely significant posi-tive correlation with grain length and length-width ratio, but no significant correlation with grain width and thickness. The QTL analysis of grain weight was carried out using one-way analysis of variance and Dunnett's test. Nineteen stable QTLs re-sponsible for grain weight were identified over two years. Al 19 QTLs were identi-fied on al chromosomes except for chromosome 10 and 12 at a significance level of P≤0.001. Among them, 10 QTLs had a positive effect and were derived from the Nipponbare al ele, the additive effect of these QTLs ranged from 0.49 to 2.74 g, and the contributions of the additive effects ranged from 2.00% to 11.05%. Another 9 QTLs had a negative effect and were al derived from Guangluai 4 al ele, the ad-ditive effect of these QTLs ranged from 0.60 to 2.35 g, and the contributions of the additive effects ranged from 2.40% to 9.84%. The results provide a basis for the fine mapping and gene cloning of novel locus associated with rice grain weight.展开更多
QTLs for plant height and its components on the substituted segments of fifty-two single segment substitution lines (SSSLs) in rice were identified through t-test (P〈0.001) for comparison between each SSSL and re...QTLs for plant height and its components on the substituted segments of fifty-two single segment substitution lines (SSSLs) in rice were identified through t-test (P〈0.001) for comparison between each SSSL and recipient parent Huajingxian 74. On the 14 substituted segments, 24 QTLs were detected, 10 for plant height, 2 for panicle length, 4 for length of the first internode from the top, 5 for length of the second internode from the top and 3 for length of the third internode from the top, respectively. All these QTLs were distributed on nine rice chromosomes except chromosomes 5, 9 and 11. The additive effect ranged from -4.08 to 3.98 cm, and the additive effect percentages varied from -19.35% to 10.43%.展开更多
Tiller is one of the most important agronomic traits which influences quantity and quality of effective panicles and finally influences yield in rice. It is important to understand "static" and "dynamic" informati...Tiller is one of the most important agronomic traits which influences quantity and quality of effective panicles and finally influences yield in rice. It is important to understand "static" and "dynamic" information of the QTLs for tillers in rice. This work was the first time to simultaneously map unconditional and conditional QTLs for tiller numbers at various stages by using single segment substitution lines in rice. Fourteen QTLs for tiller number, distributing on the corresponding substitution segments of chromosomes 1, 2, 3, 4, 6, 7 and 8 were detected. Both the number and the effect of the QTLs for tiller number were various at different stages, from 6 to 9 in the number and from 1.49 to 3.49 in the effect, respectively. Tiller number QTLs expressed in a time order, mainly detected at three stages of 0-7 d, 14-21 d and 35-42 d after transplanting with 6 positive, 9 random and 6 negative expressing QTLs, respectively. Each of the QTLs expressed one time at least during the whole duration of rice. The tiller number at a specific stage was determined by sum of QTL effects estimated by the unconditional method, while the increasing or decreasing number in a given time interval was controlled by the total of QTL effects estimated by the conditional method. These results demonstrated that it is highly effective and accurate for mapping of the QTLs by using single segment substitution lines and the conditional analysis methodology.展开更多
The microsatellite markers 484/485 and 484/W2R were used to identify the multiple alleles at the Wx locus in rice germplasm. Fifteen alleles were identified in 278 accessions by using microsatellite class and G-T poly...The microsatellite markers 484/485 and 484/W2R were used to identify the multiple alleles at the Wx locus in rice germplasm. Fifteen alleles were identified in 278 accessions by using microsatellite class and G-T polymorphism. Among these alleles, (CT)12-G, (CT)15-G, (CT)16-G, (CT)17-G, (CT)18-G and (CT)21-G have not been reported. Seventy-two single-segment substitution lines (SSSLs) carrying different alleles at the Wx locus were developed by using Huajingxian 74 with the (CT)11-G allele as a recipient and 20 accessions containing 12 different alleles at the Wx locus as donors. The estimated length of the substituted segments ranged from 2.2 to 77.3 cM with an average of 17.4 cM.展开更多
Rice grain shape is one of the important factors affecting grain quality and yield,but it is liable to be influenced by genetic backgrounds and environments.The chromosome single segment substitution lines(SSSLs) in r...Rice grain shape is one of the important factors affecting grain quality and yield,but it is liable to be influenced by genetic backgrounds and environments.The chromosome single segment substitution lines(SSSLs) in rice have been considered as ideal populations to identify the quantitative trait loci(QTLs).In this study,22 QTLs affecting rice grain shape were detected to be distributed on eight chromosomes except chromosomes 6,9,11 and 12 by using SSSLs.Among them,seven QTLs conditioned grain length,six conditioned grain width,five affected grain length-width ratio and four controlled grain thickness.展开更多
Heading date of rice is a key agronomic trait determining cultivated areas and seasons and affecting yield. In the present study, ifve primary single segment substitution lines with the same genetic background were us...Heading date of rice is a key agronomic trait determining cultivated areas and seasons and affecting yield. In the present study, ifve primary single segment substitution lines with the same genetic background were used to detect quantitative trait loci (QTLs) for heading date in rice. Two QTLs, qHD3 and qHD6 on the short arm of chromosome 3 and the short arm of chromosome 6, respectively, were identiifed under natural long-day (NLD). Nineteen secondary single segment substitution lines (SSSLs) and seven double segments pyramiding lines were designed to map the two QTLs and to evaluate their epistatic interaction between them. By overlapping mapping, qHD3 was mapped in a 791-kb interval between SSR markers RM3894 and RM569 and qHD6 in a 1 125-kb interval between RM587 and RM225. Results revealed the existence of epistatic interaction between qHD3 and qHD6 under natural long-day (NLD). It was also found that qHD3 and qHD6 had signiifcant effects on plant height and yield traits, indicating that both of the QTLs have pleiotropic effects.展开更多
Using the C-mapping topological theory, we study the topological structure of vortex lines in a two-dimensional generalized Gross Pitaevskii theory in (3+l)-dimensional space-time. We obtain the reduced dynamic equ...Using the C-mapping topological theory, we study the topological structure of vortex lines in a two-dimensional generalized Gross Pitaevskii theory in (3+l)-dimensional space-time. We obtain the reduced dynamic equation in the framework of the two-dimensional Gross-Pitaevskii theory, from which a conserved dynamic quantity is derived on the stable vortex lines. Such equations can also be used to discuss Bose-Einstein condensates in heterogeneous and highly nonlinear systems. We obtain an exact dynamic equation with a topological term, which is ignored in traditional hydrodynamic equations. The explicit expression of vorticity as a function of the order parameter is derived, where the function indicates that the vortices can only be generated from the zero points of Ф and are quantized in terms of the Hopf indices and Brouwer degrees. The C-mapping topological current theory also provides a reasonable way to study the bifurcation theory of vortex lines in the two-dimensional Gross-Pitaevskii theory.展开更多
The polarization switching plays a crucial role in controlling the final products in the catalytic pro-cess.The effect of polarization orientation on nitrogen reduction was investigated by anchoring transition metal a...The polarization switching plays a crucial role in controlling the final products in the catalytic pro-cess.The effect of polarization orientation on nitrogen reduction was investigated by anchoring transition metal atoms to form active centers on ferroelectric material In_(2)Se_(3).During the polariza-tion switching process,the difference in surface electrostatic potential leads to a redistribution of electronic states.This affects the interaction strength between the adsorbed small molecules and the catalyst substrate,thereby altering the reaction barrier.In addition,the surface states must be considered to prevent the adsorption of other small molecules(such as *O,*OH,and *H).Further-more,the V@↓-In_(2)Se_(3) possesses excellent catalytic properties,high electrochemical and thermody-namic stability,which facilitates the catalytic process.Machine learning also helps us further ex-plore the underlying mechanisms.The systematic investigation provides novel insights into the design and application of two-dimensional switchable ferroelectric catalysts for various chemical processes.展开更多
Density functional theory (DFT) is used to calculate adsorption of ethane molecules in single walled carbon nanotubes. A compari-son of DFT calculations and grand canonical ensemble Monte Carlo (GCMC) simulations is m...Density functional theory (DFT) is used to calculate adsorption of ethane molecules in single walled carbon nanotubes. A compari-son of DFT calculations and grand canonical ensemble Monte Carlo (GCMC) simulations is made first and the two methods are in good agree-ment. Adsorption isotherms and structures of ethane molecules inside the tubes have been studied by DFT for the nanotubes of diameters 0.954, 2.719 and 4.077 nm at 157 K and ambient temperature, 300 K. By using the grand potential, the positions of phase transitions are exactly lo-cated, and the effect of temperature and tube diameter on phase transitions and adsorption is discussed. We found that lowering temperature and increasing the pore size of several nanometer is preferable for the ethane adsorption when temperature is in the range of 157 K—300 K and op-erating pressure reaches several MPa. Layering transitions and capillary condensations are observed at 157 K in two larger pore diameters, while these phase transitions disappear or the hysteres is loops become very narrow at 300 K.展开更多
The dense and accurate measurement of 3D texture is helpful in evaluating the pavement function.To form dense mandatory constraints and improve matching accuracy,the traditional binocular reconstruction technology was...The dense and accurate measurement of 3D texture is helpful in evaluating the pavement function.To form dense mandatory constraints and improve matching accuracy,the traditional binocular reconstruction technology was improved threefold.First,a single moving laser line was introduced to carry out global scanning constraints on the target,which would well overcome the difficulty of installing and recognizing excessive laser lines.Second,four kinds of improved algorithms,namely,disparity replacement,superposition synthesis,subregion segmentation,and subregion segmentation centroid enhancement,were established based on different constraint mechanism.Last,the improved binocular reconstruction test device was developed to realize the dual functions of 3D texture measurement and precision self-evaluation.Results show that compared with traditional algorithms,the introduction of a single laser line scanning constraint is helpful in improving the measurement’s accuracy.Among various improved algorithms,the improvement effect of the subregion segmentation centroid enhancement method is the best.It has a good effect on both overall measurement and single pointmeasurement,which can be considered to be used in pavement function evaluation.展开更多
Considering the independent optimization requirement for each demander of modernmanufacture, we explore the application of noncooperative game in production scheduling research,and model scheduling problem as competit...Considering the independent optimization requirement for each demander of modernmanufacture, we explore the application of noncooperative game in production scheduling research,and model scheduling problem as competition of machine resources among a group of selfish jobs.Each job has its own performance objective. For the single machine, multi-jobs and non-preemptivescheduling problem, a noncooperative game model is established. Based on the model, many prob-lems about Nash equilibrium solution, such as the existence, quantity, properties of solution space,performance of solution and algorithm are discussed. The results are tested by numerical example.展开更多
The binding energies, geometric structures and electronic properties of molybde- num trioxide (MOO3) molecule encapsulated inside (8, 0), (9, 0), (10, 0) and (14, 0) single-walled carbon nanotubes (SWNTs) ...The binding energies, geometric structures and electronic properties of molybde- num trioxide (MOO3) molecule encapsulated inside (8, 0), (9, 0), (10, 0) and (14, 0) single-walled carbon nanotubes (SWNTs) have been investigated using density functional theory (DFT) method. Due to curvature effect, the calculated binding energy values are different, the variation of which indicated that the stability of MoO3/SWNT systems increases with increasing the radius of SWNTs. At the same time, owing to the presence of MoO3 molecule, the band gap of MoO3/SWNTs systems decreases. The analysis of density of states (DOS) reveals hybridization between C-2p and Mo-4d and between C-2p and O-2p orbitals near the Fermi level, which results in electron transfer from SWNTs to MoO3 molecule. The present computations suggest that electronic properties of SWNTs can be modified by doping MoO3 molecule.展开更多
Divergences of the single reference perturbation theories due to the addition of diffusion basis functions have been investigated for both closed-shell and open-shell molecular systems. It is found that the oscillator...Divergences of the single reference perturbation theories due to the addition of diffusion basis functions have been investigated for both closed-shell and open-shell molecular systems. It is found that the oscillatory range of perturbation energies of open-shell systems increases as the spin multiplicity of systems changes from 2 to 4. Feenberg transformation is exploited to treat the divergence problems. It is found numerically that within the interval of Feenberg parameter there exists a minimum perturbation order at which the perturbation series become convergent. It is also found for the open-shell systems that the magnitude of the corresponding Feenberg parameter becomes larger as the spin multiplicity of the system of interest changes from 2 to 4.展开更多
According to the railway transportation system's characteristics, a new cellular automaton model for the single- line railway system is presented in this paper. Based on this model, several simulations were done to i...According to the railway transportation system's characteristics, a new cellular automaton model for the single- line railway system is presented in this paper. Based on this model, several simulations were done to imitate the train operation under three working diagrams. From a different angle the results show how the organization of train operation impacts on the railway carrying capacity. By using the non-parallel train working diagram the influence of fast-train on slow-train is found to be the strongest. Many slow-trains have to wait in-between neighbouring stations to let the fast-train(s) pass through first. So the slow-train will advance like a wave propagating from the departure station to the arrival station. This also resembles the situation of a highway jammed traffic flow. Furthermore, the nonuniformity of travel times between the sections also greatly limits the railway carrying capacity. After converting the nonuniform sections into the sections with uniform travel times while the total travel time is kept unchanged, all three carrying capacities are improved greatly as shown by simulation. It also shows that the cellular automaton model is an effective and feasible way to investigate the railway transportation system.展开更多
Two-dimensional(2D)MXene and single-atom(SA)catalysts are two frontier research fields in catalysis.2D materials with unique geometric and electronic structures can modulate the catalytic performance of supported SAs,...Two-dimensional(2D)MXene and single-atom(SA)catalysts are two frontier research fields in catalysis.2D materials with unique geometric and electronic structures can modulate the catalytic performance of supported SAs,which,in turn,affect the intrinsic activity of 2D materials.Density functional theory calculations were used to systematically explore the potential of O-terminated V2C MXene(V_(2)CO_(2))-supported transition metal(TM)SAs,including a series of 3d,4d,and 5d metals,as oxygen reduction reaction(ORR)and hydrogen oxidation reaction(HOR)catalysts.The combination of TM SAs and V_(2)CO_(2)changes their electronic structure and enriches the active sites,and consequently regulates the intermediate adsorption energy and catalytic activity for ORR and HOR.Among the investigated TM-V_(2)CO_(2)models,Sc-,Mn-,Rh-,and PtMCCh showed high ORR activity,while Sc-,Ti-,V-,Cr-,and Mn-V_(2)CO_(2)exhibited high HOR activity.Specifically,Mn-and Sc-V_(2)CO_(2)are expected to serve as highly efficient and cost-effective bifunctional catalysts for fuel cells because of their high catalytic activity and stability.This work provides theoretical guidance for the rational design of efficient ORR and HOR bifunctional catalysts.展开更多
A diagnostic signal current trace detecting based single phase-to-ground fault line identifica- tion and section location method for non-effectively grounded distribution systems is presented in this paper.A special d...A diagnostic signal current trace detecting based single phase-to-ground fault line identifica- tion and section location method for non-effectively grounded distribution systems is presented in this paper.A special diagnostic signal current is injected into the fault distribution system,and then it is detected at the outlet terminals to identify the fault line and at the sectionalizing or branching point along the fault line to locate the fault section.The method has been put into application in actual distribution network and field experience shows that it can identify the fault line and locate the fault section correctly and effectively.展开更多
In this study,an optimization model of a single machine system integrating imperfect preventive maintenance planning and production scheduling based on game theory is proposed.The costs of the production department an...In this study,an optimization model of a single machine system integrating imperfect preventive maintenance planning and production scheduling based on game theory is proposed.The costs of the production department and the maintenance department are minimized,respectively.Two kinds of three-stage dynamic game models and a backward induction method are proposed to determine the preventive maintenance(PM)threshold.A lemma is presented to obtain the exact solution.A comprehensive numerical study is provided to illustrate the proposed maintenance model.The effectiveness is also validated by comparison with other two existed optimization models.展开更多
We use the mean-field approximation of Dyson–Maleev representation to study an XXZ Heisenberg ferrimagnetic spin chain with single-ion anisotropy. By solving the self-consistent equations with different anisotropies,...We use the mean-field approximation of Dyson–Maleev representation to study an XXZ Heisenberg ferrimagnetic spin chain with single-ion anisotropy. By solving the self-consistent equations with different anisotropies, λ and D respectively,the energy spectrums, internal energy, static susceptibility and specific heat are calculated. Especially, the quantum phase transition of the magnetization plateau induced by single-ion anisotropy D is obtained in the model of the ferrimagnetic spin chain by using Dyson–Maleev mean-field theory.展开更多
基金Supported by National Natural Science Foundation of China(31101131)National Key Technology Research and Development Program(2011BAD16B03)+1 种基金Agricultural Science Independent Innovation Foundation of Jiangsu Province[CX(12)1003]Key Technology Research and Development Program of Jiangsu Province(BE2012309)~~
文摘Grain weight, one of the major factors determining rice yield, is a typical quantitative trait control ed by multiple genes. With Guangluai 4 as recipient and Nipponbare as donor, a population of 119 chromosome single segment substitution lines had been developed. Correlation analysis between grain weight and grain shape by SPSS revealed that 1 000-grain weight shared extremely significant posi-tive correlation with grain length and length-width ratio, but no significant correlation with grain width and thickness. The QTL analysis of grain weight was carried out using one-way analysis of variance and Dunnett's test. Nineteen stable QTLs re-sponsible for grain weight were identified over two years. Al 19 QTLs were identi-fied on al chromosomes except for chromosome 10 and 12 at a significance level of P≤0.001. Among them, 10 QTLs had a positive effect and were derived from the Nipponbare al ele, the additive effect of these QTLs ranged from 0.49 to 2.74 g, and the contributions of the additive effects ranged from 2.00% to 11.05%. Another 9 QTLs had a negative effect and were al derived from Guangluai 4 al ele, the ad-ditive effect of these QTLs ranged from 0.60 to 2.35 g, and the contributions of the additive effects ranged from 2.40% to 9.84%. The results provide a basis for the fine mapping and gene cloning of novel locus associated with rice grain weight.
基金the key project ofNational Natural Science Foundation of China(30330370) the team project of Natural ScienceFoundation of Guangdong Province (20003023).
文摘QTLs for plant height and its components on the substituted segments of fifty-two single segment substitution lines (SSSLs) in rice were identified through t-test (P〈0.001) for comparison between each SSSL and recipient parent Huajingxian 74. On the 14 substituted segments, 24 QTLs were detected, 10 for plant height, 2 for panicle length, 4 for length of the first internode from the top, 5 for length of the second internode from the top and 3 for length of the third internode from the top, respectively. All these QTLs were distributed on nine rice chromosomes except chromosomes 5, 9 and 11. The additive effect ranged from -4.08 to 3.98 cm, and the additive effect percentages varied from -19.35% to 10.43%.
基金supported by the grants from the National.Basic Research Program of China(2006CB 101700)the National Natural Science Foundation of China(30330370).
文摘Tiller is one of the most important agronomic traits which influences quantity and quality of effective panicles and finally influences yield in rice. It is important to understand "static" and "dynamic" information of the QTLs for tillers in rice. This work was the first time to simultaneously map unconditional and conditional QTLs for tiller numbers at various stages by using single segment substitution lines in rice. Fourteen QTLs for tiller number, distributing on the corresponding substitution segments of chromosomes 1, 2, 3, 4, 6, 7 and 8 were detected. Both the number and the effect of the QTLs for tiller number were various at different stages, from 6 to 9 in the number and from 1.49 to 3.49 in the effect, respectively. Tiller number QTLs expressed in a time order, mainly detected at three stages of 0-7 d, 14-21 d and 35-42 d after transplanting with 6 positive, 9 random and 6 negative expressing QTLs, respectively. Each of the QTLs expressed one time at least during the whole duration of rice. The tiller number at a specific stage was determined by sum of QTL effects estimated by the unconditional method, while the increasing or decreasing number in a given time interval was controlled by the total of QTL effects estimated by the conditional method. These results demonstrated that it is highly effective and accurate for mapping of the QTLs by using single segment substitution lines and the conditional analysis methodology.
基金supported by the key project of National Natural Science Foundation of China(30330370).
文摘The microsatellite markers 484/485 and 484/W2R were used to identify the multiple alleles at the Wx locus in rice germplasm. Fifteen alleles were identified in 278 accessions by using microsatellite class and G-T polymorphism. Among these alleles, (CT)12-G, (CT)15-G, (CT)16-G, (CT)17-G, (CT)18-G and (CT)21-G have not been reported. Seventy-two single-segment substitution lines (SSSLs) carrying different alleles at the Wx locus were developed by using Huajingxian 74 with the (CT)11-G allele as a recipient and 20 accessions containing 12 different alleles at the Wx locus as donors. The estimated length of the substituted segments ranged from 2.2 to 77.3 cM with an average of 17.4 cM.
基金supported by the National Basic Research Program of China(Grant No.2005CB120807)
文摘Rice grain shape is one of the important factors affecting grain quality and yield,but it is liable to be influenced by genetic backgrounds and environments.The chromosome single segment substitution lines(SSSLs) in rice have been considered as ideal populations to identify the quantitative trait loci(QTLs).In this study,22 QTLs affecting rice grain shape were detected to be distributed on eight chromosomes except chromosomes 6,9,11 and 12 by using SSSLs.Among them,seven QTLs conditioned grain length,six conditioned grain width,five affected grain length-width ratio and four controlled grain thickness.
基金financially supported by the National Natural Science Foundation of China (31171529)the Key Technologies R&D Program of China during the 12th Five-Year Plan period (2013BAD01B02-13)the Special Fund for Agro-Scientific Research in the Public Interest of China (201303007)
文摘Heading date of rice is a key agronomic trait determining cultivated areas and seasons and affecting yield. In the present study, ifve primary single segment substitution lines with the same genetic background were used to detect quantitative trait loci (QTLs) for heading date in rice. Two QTLs, qHD3 and qHD6 on the short arm of chromosome 3 and the short arm of chromosome 6, respectively, were identiifed under natural long-day (NLD). Nineteen secondary single segment substitution lines (SSSLs) and seven double segments pyramiding lines were designed to map the two QTLs and to evaluate their epistatic interaction between them. By overlapping mapping, qHD3 was mapped in a 791-kb interval between SSR markers RM3894 and RM569 and qHD6 in a 1 125-kb interval between RM587 and RM225. Results revealed the existence of epistatic interaction between qHD3 and qHD6 under natural long-day (NLD). It was also found that qHD3 and qHD6 had signiifcant effects on plant height and yield traits, indicating that both of the QTLs have pleiotropic effects.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10905026 and 10905027)the Program of Science and Technology Development of Lanzhou, China (Grant No. 2010-1-129)
文摘Using the C-mapping topological theory, we study the topological structure of vortex lines in a two-dimensional generalized Gross Pitaevskii theory in (3+l)-dimensional space-time. We obtain the reduced dynamic equation in the framework of the two-dimensional Gross-Pitaevskii theory, from which a conserved dynamic quantity is derived on the stable vortex lines. Such equations can also be used to discuss Bose-Einstein condensates in heterogeneous and highly nonlinear systems. We obtain an exact dynamic equation with a topological term, which is ignored in traditional hydrodynamic equations. The explicit expression of vorticity as a function of the order parameter is derived, where the function indicates that the vortices can only be generated from the zero points of Ф and are quantized in terms of the Hopf indices and Brouwer degrees. The C-mapping topological current theory also provides a reasonable way to study the bifurcation theory of vortex lines in the two-dimensional Gross-Pitaevskii theory.
文摘The polarization switching plays a crucial role in controlling the final products in the catalytic pro-cess.The effect of polarization orientation on nitrogen reduction was investigated by anchoring transition metal atoms to form active centers on ferroelectric material In_(2)Se_(3).During the polariza-tion switching process,the difference in surface electrostatic potential leads to a redistribution of electronic states.This affects the interaction strength between the adsorbed small molecules and the catalyst substrate,thereby altering the reaction barrier.In addition,the surface states must be considered to prevent the adsorption of other small molecules(such as *O,*OH,and *H).Further-more,the V@↓-In_(2)Se_(3) possesses excellent catalytic properties,high electrochemical and thermody-namic stability,which facilitates the catalytic process.Machine learning also helps us further ex-plore the underlying mechanisms.The systematic investigation provides novel insights into the design and application of two-dimensional switchable ferroelectric catalysts for various chemical processes.
基金Supported by the State Key Fundamental Research Plan of China (No.G2000048010) and the Post Doctor Science Foundation of China.
文摘Density functional theory (DFT) is used to calculate adsorption of ethane molecules in single walled carbon nanotubes. A compari-son of DFT calculations and grand canonical ensemble Monte Carlo (GCMC) simulations is made first and the two methods are in good agree-ment. Adsorption isotherms and structures of ethane molecules inside the tubes have been studied by DFT for the nanotubes of diameters 0.954, 2.719 and 4.077 nm at 157 K and ambient temperature, 300 K. By using the grand potential, the positions of phase transitions are exactly lo-cated, and the effect of temperature and tube diameter on phase transitions and adsorption is discussed. We found that lowering temperature and increasing the pore size of several nanometer is preferable for the ethane adsorption when temperature is in the range of 157 K—300 K and op-erating pressure reaches several MPa. Layering transitions and capillary condensations are observed at 157 K in two larger pore diameters, while these phase transitions disappear or the hysteres is loops become very narrow at 300 K.
基金supported by National Natural Science Foundation of China (52178422)Doctoral Research Foundation of Hubei University of Arts and Science (2059047)National College Students’Innovation and Entrepreneurship Training Program (202210519021).
文摘The dense and accurate measurement of 3D texture is helpful in evaluating the pavement function.To form dense mandatory constraints and improve matching accuracy,the traditional binocular reconstruction technology was improved threefold.First,a single moving laser line was introduced to carry out global scanning constraints on the target,which would well overcome the difficulty of installing and recognizing excessive laser lines.Second,four kinds of improved algorithms,namely,disparity replacement,superposition synthesis,subregion segmentation,and subregion segmentation centroid enhancement,were established based on different constraint mechanism.Last,the improved binocular reconstruction test device was developed to realize the dual functions of 3D texture measurement and precision self-evaluation.Results show that compared with traditional algorithms,the introduction of a single laser line scanning constraint is helpful in improving the measurement’s accuracy.Among various improved algorithms,the improvement effect of the subregion segmentation centroid enhancement method is the best.It has a good effect on both overall measurement and single pointmeasurement,which can be considered to be used in pavement function evaluation.
文摘Considering the independent optimization requirement for each demander of modernmanufacture, we explore the application of noncooperative game in production scheduling research,and model scheduling problem as competition of machine resources among a group of selfish jobs.Each job has its own performance objective. For the single machine, multi-jobs and non-preemptivescheduling problem, a noncooperative game model is established. Based on the model, many prob-lems about Nash equilibrium solution, such as the existence, quantity, properties of solution space,performance of solution and algorithm are discussed. The results are tested by numerical example.
基金Supported by the National Natural Science Foundation of China(Nos.11074176and10976019,11176020)the Research Fund for the Doctoral Program of Higher Education of China(No.20100181110080)
文摘The binding energies, geometric structures and electronic properties of molybde- num trioxide (MOO3) molecule encapsulated inside (8, 0), (9, 0), (10, 0) and (14, 0) single-walled carbon nanotubes (SWNTs) have been investigated using density functional theory (DFT) method. Due to curvature effect, the calculated binding energy values are different, the variation of which indicated that the stability of MoO3/SWNT systems increases with increasing the radius of SWNTs. At the same time, owing to the presence of MoO3 molecule, the band gap of MoO3/SWNTs systems decreases. The analysis of density of states (DOS) reveals hybridization between C-2p and Mo-4d and between C-2p and O-2p orbitals near the Fermi level, which results in electron transfer from SWNTs to MoO3 molecule. The present computations suggest that electronic properties of SWNTs can be modified by doping MoO3 molecule.
基金the National Natural Science Foundation of China (No.21473008 and No.21873011).
文摘Divergences of the single reference perturbation theories due to the addition of diffusion basis functions have been investigated for both closed-shell and open-shell molecular systems. It is found that the oscillatory range of perturbation energies of open-shell systems increases as the spin multiplicity of systems changes from 2 to 4. Feenberg transformation is exploited to treat the divergence problems. It is found numerically that within the interval of Feenberg parameter there exists a minimum perturbation order at which the perturbation series become convergent. It is also found for the open-shell systems that the magnitude of the corresponding Feenberg parameter becomes larger as the spin multiplicity of the system of interest changes from 2 to 4.
文摘According to the railway transportation system's characteristics, a new cellular automaton model for the single- line railway system is presented in this paper. Based on this model, several simulations were done to imitate the train operation under three working diagrams. From a different angle the results show how the organization of train operation impacts on the railway carrying capacity. By using the non-parallel train working diagram the influence of fast-train on slow-train is found to be the strongest. Many slow-trains have to wait in-between neighbouring stations to let the fast-train(s) pass through first. So the slow-train will advance like a wave propagating from the departure station to the arrival station. This also resembles the situation of a highway jammed traffic flow. Furthermore, the nonuniformity of travel times between the sections also greatly limits the railway carrying capacity. After converting the nonuniform sections into the sections with uniform travel times while the total travel time is kept unchanged, all three carrying capacities are improved greatly as shown by simulation. It also shows that the cellular automaton model is an effective and feasible way to investigate the railway transportation system.
文摘Two-dimensional(2D)MXene and single-atom(SA)catalysts are two frontier research fields in catalysis.2D materials with unique geometric and electronic structures can modulate the catalytic performance of supported SAs,which,in turn,affect the intrinsic activity of 2D materials.Density functional theory calculations were used to systematically explore the potential of O-terminated V2C MXene(V_(2)CO_(2))-supported transition metal(TM)SAs,including a series of 3d,4d,and 5d metals,as oxygen reduction reaction(ORR)and hydrogen oxidation reaction(HOR)catalysts.The combination of TM SAs and V_(2)CO_(2)changes their electronic structure and enriches the active sites,and consequently regulates the intermediate adsorption energy and catalytic activity for ORR and HOR.Among the investigated TM-V_(2)CO_(2)models,Sc-,Mn-,Rh-,and PtMCCh showed high ORR activity,while Sc-,Ti-,V-,Cr-,and Mn-V_(2)CO_(2)exhibited high HOR activity.Specifically,Mn-and Sc-V_(2)CO_(2)are expected to serve as highly efficient and cost-effective bifunctional catalysts for fuel cells because of their high catalytic activity and stability.This work provides theoretical guidance for the rational design of efficient ORR and HOR bifunctional catalysts.
基金Postdoctoral Foundation of China(No.20070410755)PAN Zhencun,born in 1962,male,postdoctor researcher.
文摘A diagnostic signal current trace detecting based single phase-to-ground fault line identifica- tion and section location method for non-effectively grounded distribution systems is presented in this paper.A special diagnostic signal current is injected into the fault distribution system,and then it is detected at the outlet terminals to identify the fault line and at the sectionalizing or branching point along the fault line to locate the fault section.The method has been put into application in actual distribution network and field experience shows that it can identify the fault line and locate the fault section correctly and effectively.
基金Sponsored by the National Natural Science Foundation of China(Grant Nos.72061022 and 72171037).
文摘In this study,an optimization model of a single machine system integrating imperfect preventive maintenance planning and production scheduling based on game theory is proposed.The costs of the production department and the maintenance department are minimized,respectively.Two kinds of three-stage dynamic game models and a backward induction method are proposed to determine the preventive maintenance(PM)threshold.A lemma is presented to obtain the exact solution.A comprehensive numerical study is provided to illustrate the proposed maintenance model.The effectiveness is also validated by comparison with other two existed optimization models.
基金Project supported by the National Natural Science Foundation of China(Grant No.10774035)the Qianjiang RenCai Program of Zhejiang Province,China(Grant No.2007R0010)
文摘We use the mean-field approximation of Dyson–Maleev representation to study an XXZ Heisenberg ferrimagnetic spin chain with single-ion anisotropy. By solving the self-consistent equations with different anisotropies, λ and D respectively,the energy spectrums, internal energy, static susceptibility and specific heat are calculated. Especially, the quantum phase transition of the magnetization plateau induced by single-ion anisotropy D is obtained in the model of the ferrimagnetic spin chain by using Dyson–Maleev mean-field theory.