Optimized calculations of 75 PCDDs and their parent DD were carded out at the B3LYP/6-31G＊ level by density functional theory （DFT） method. The structural parameters were obtained and significant correlation betwee...Optimized calculations of 75 PCDDs and their parent DD were carded out at the B3LYP/6-31G＊ level by density functional theory （DFT） method. The structural parameters were obtained and significant correlation between the C1 substitution position and some structural parameters was found. Consequently, the number of C1 substitution positions was taken as theoretical descriptors to establish two novel QSPR models for predicting lgKow and -lgSw of all PCDD congeners. The two models achieved in this work contain two variables （Na and Nβ）, of which r = 0.9312, 0.9965 and SD = 0.27, 0.12 respectively, and t values are all large. The variation inflation factors （VIF） of variables in the two models herein are both less than 5.0, suggesting high accuracy of the lgKow and -lgSw predicting models, and the results of cross-validation test also show that the two models exhibit optimum stability and good predictive power. By comparison, the correlation and predictive ability of the present work are more advantageous than those obtained using semi-empirical AM1 and GC-RI methods.展开更多
It is shown that the nonideality coefficient m actually depends on the electron temperature Te, and the hole temperature Th. We get more general expression for the nonideality coefficient, taking into account the conc...It is shown that the nonideality coefficient m actually depends on the electron temperature Te, and the hole temperature Th. We get more general expression for the nonideality coefficient, taking into account the concentration of electrons and holes, as well as their temperature, coefficient and diffusion length, the temperature of the phonons, the applied voltage, and the height of the potential barrier.展开更多
The order of magnitude of multiple Fourier coefficients of complex valued functions of generalized bounded variations like （∧^1,.. .,∧^N）BV^（p） and r-BV, over [0,2π]^ N, are estimated.
Essential plant nutrients contained in residues and wastes generated during biofuel processing can be recovered for further production of bioenergy biomass. The objective of this study was to determine the relative ag...Essential plant nutrients contained in residues and wastes generated during biofuel processing can be recovered for further production of bioenergy biomass. The objective of this study was to determine the relative agronomic efficiency of “processed” biofuel residual (PBR). Liquid biofuel residual was “processed” by precipitating phosphate and ammonium in the residual with magnesium into a struvite-like material. Then, in a series of greenhouse experiments, we evaluated the fertility potential of PBR, using sweet sorghum (Sorghum bicolor (L.) Moench), as a test bioenergy crop. We compared the agronomic effectiveness of PBR to inorganic commercial fertilizers, biosolids, and poultry manure as nutrient sources. The sources were either applied alone or in combination with supplemental essential plant nutrients (S, K, Mg, and micronutrients). In each of the greenhouse experiments, the crop was grown for 12 wk on soil of minimal native fertility. After each harvest, sufficient water was applied to the soil in each pot over a 6-wk period to yield ~2 L (~one pore volume) of leachate to assess potential total N and soluble reactive phosphorus (SRP) losses. Dry matter yields from the PBR treatment applied alone were significantly greater than yields from inorganic fertilizers, biosolids, and poultry manure treatments applied alone, and similar to yields obtained when the supplemental essential plant nutrients were added to the inorganic fertilizer, biosolids, and manure treatments. Leachate N and SRP concentrations from the PBR treatment were significantly lower than in the treatments with inorganic fertilizers, poultry manure, and biosolids. We conclude that PBR can substitute for inorganic fertilizers and other organic sources of plant nutrients to produce bioenergy biomass cheaply, without causing offsite N and P losses in vulnerable soils.展开更多
This paper applies weighted least square method to estimate the three-parameter power function equation of the fatigue life curve, and uses comprehensive fatigue life coefficient to correct the equation, and at the sa...This paper applies weighted least square method to estimate the three-parameter power function equation of the fatigue life curve, and uses comprehensive fatigue life coefficient to correct the equation, and at the same time combines probability statistics method to bring out the prediction method of structure＇s three- parameter power function P-S-N curve, finally applies the prediction method to a ship＇s frame-type elevate, based on the fatigue test data of it＇s material-SA06 aluminium alloy, to obtain it＇s structure＇s three-parameter power function P-S-N curve. Compared with the conventional least square method, the presented method can give展开更多
Investigating the impact of apple-dominated areas on nitrogen(N)and phosphorus(P)losses at a basin scale was essential for the sustainable development of apple industry in China.This study conducted a survey on fertil...Investigating the impact of apple-dominated areas on nitrogen(N)and phosphorus(P)losses at a basin scale was essential for the sustainable development of apple industry in China.This study conducted a survey on fertilizer application and built a Soil and Water Assessment Tool(SWAT)model to quantita-tively analyze the N and P losses in the Qixia apple-dominated area.Additionally,the decreases in N and P losses through adjusting the fertilizer application modes were evaluated.Results showed that average N and P losses in the Wulong River Basin(WRB)were 44.4 and 0.365 kg ha^(-1)in 2011-2017,respectively,and apple orchards accounted for 733%and 51.4%of the total N and P losses in the basin.Under nine fertilizer scheduling scenarios,three fertilizer schedule scenarios,automatic fertilizer application(S-AUTO),"one shot"mode(S1),and regulated fertilizer application(S-BSD),had the lowest N and P losses in apple orchards.The decreases in N loss ranged from 20.6%to 26.1%at the subbasin scale and 14.8%-30.7%at the basin outlet when applying the S-AUTO,S1,and S-BSD fertilizer application modes in Qixia apple orchards and all apple orchards in the WRB.The reductions in P loss varied from 22.0%to 46.1%at the subbasin scale and 14.6%-25.6%at the basin outlet.In orchard-dominated basin,N and P losses can be effectively reduced by optimizing the orchard fertilizer scheduling strategies.展开更多
Using the nonequilibrium Green＇s function method combined with the tight-binding Hamiltonian, we theoretically investigate the spin-dependent transmission probability and spin Seebeck coefficient of a crossed armchai...Using the nonequilibrium Green＇s function method combined with the tight-binding Hamiltonian, we theoretically investigate the spin-dependent transmission probability and spin Seebeck coefficient of a crossed armchair-edge graphene nanoribbon （AGNR） superl＇attice p-n junction under a perpendicular magnetic field with a ferromagnetic insulator, where junction widths Wi of 40 and 41 are considered to exemplify the effect of semiconducting and metallic AGNRs, respectively. A pristine AGNR system is metallic when the transverse layer m = 3j ＋ 2 with a positive integer j and an insulator otherwise. When stubs are present, a semiconducting AGNR junction with width W1= 40 always shows metallic behavior regardless of the potential drop magnitude, magnetization strength, stub length, and per- pendicular magnetic field strength. However, metallic or semiconducting behavior can be obtained from a metallic AGNR junction with Wi = 41 by adjusting these physical parameters. Furthermore, a metal-to-semiconductor transition can be obtained for both superlattice p-n junctions by adjust- ing the number of periods of the superlattice. In addition, the spin-dependent Seebeck coefficient and spin Seebeck coefficient of the two systems are of the same order of magnitude owing to the appearance of a transmission gap, and the maximum absolute value of the spin Seebeck coefficient reaches 370 μV/K when the optimized parameters are used. The calculated results offer new possi- bilities for designing electronic or heat-spintronic nanodevices based on the graphene superlattice p-n junction.展开更多
Aims Litter decomposition is a fundamental process within ecosystem functioning,and it is largely dependent on the biodiversity of ecosystems.We explored the effects of species diversity and genetic diversity of litte...Aims Litter decomposition is a fundamental process within ecosystem functioning,and it is largely dependent on the biodiversity of ecosystems.We explored the effects of species diversity and genetic diversity of litter on the litter decomposition rate.Methods We used laboratory microcosms to determine whether species diversity and genetic diversity and their interaction affect leaf litter decomposition.We set up 8 treatments containing 1,2,4 diversity levels of four broad-leaf species(Alniphyllum fortunei,Idesia polycarpa,Cinnamomum camphora and Daphniphyllum oldhamii)both in species and genetic sense.Totally 246 microcosms containing same amount of soil and litter of prescribed diversity treatment were stored in the dark at 25℃for 12 weeks.Important Findings The effect of litter species diversity on litter decomposition was largely dependent on species composition of the litter mixture in terms of species identity.Overall,the decomposition rate increased linearly with the richness of seed family when the species identity was disregarded.However,no interactive effect of species diversity and genetic diversity on mass loss was detected.The litter decomposition rate was found to be unrelated to the initial carbon(C),whereas it was negatively correlated with the initial total nitrogen(N)and N:P ratio.However,the regression curves of the litter decomposition rate against the total P and C:N ratio displayed quadratic parabolas opening upward and downward,respectively.This study demonstrated how species and/or genetic diversity and the stoichiometry of litter per se affect litter decomposition.Further studies should be performed in the long term to ascertain how such effects operate and how they change during the decomposition process,particularly in response to varying composition and diversity of standing plants in the environments.展开更多
基金This work was supported by the National Natural Science Foundation of China (No. 20737001)(2003CB415002)China Postdoctoral Science Foundation (No. 2003033486)
文摘Optimized calculations of 75 PCDDs and their parent DD were carded out at the B3LYP/6-31G＊ level by density functional theory （DFT） method. The structural parameters were obtained and significant correlation between the C1 substitution position and some structural parameters was found. Consequently, the number of C1 substitution positions was taken as theoretical descriptors to establish two novel QSPR models for predicting lgKow and -lgSw of all PCDD congeners. The two models achieved in this work contain two variables （Na and Nβ）, of which r = 0.9312, 0.9965 and SD = 0.27, 0.12 respectively, and t values are all large. The variation inflation factors （VIF） of variables in the two models herein are both less than 5.0, suggesting high accuracy of the lgKow and -lgSw predicting models, and the results of cross-validation test also show that the two models exhibit optimum stability and good predictive power. By comparison, the correlation and predictive ability of the present work are more advantageous than those obtained using semi-empirical AM1 and GC-RI methods.
文摘It is shown that the nonideality coefficient m actually depends on the electron temperature Te, and the hole temperature Th. We get more general expression for the nonideality coefficient, taking into account the concentration of electrons and holes, as well as their temperature, coefficient and diffusion length, the temperature of the phonons, the applied voltage, and the height of the potential barrier.
文摘The order of magnitude of multiple Fourier coefficients of complex valued functions of generalized bounded variations like （∧^1,.. .,∧^N）BV^（p） and r-BV, over [0,2π]^ N, are estimated.
文摘Essential plant nutrients contained in residues and wastes generated during biofuel processing can be recovered for further production of bioenergy biomass. The objective of this study was to determine the relative agronomic efficiency of “processed” biofuel residual (PBR). Liquid biofuel residual was “processed” by precipitating phosphate and ammonium in the residual with magnesium into a struvite-like material. Then, in a series of greenhouse experiments, we evaluated the fertility potential of PBR, using sweet sorghum (Sorghum bicolor (L.) Moench), as a test bioenergy crop. We compared the agronomic effectiveness of PBR to inorganic commercial fertilizers, biosolids, and poultry manure as nutrient sources. The sources were either applied alone or in combination with supplemental essential plant nutrients (S, K, Mg, and micronutrients). In each of the greenhouse experiments, the crop was grown for 12 wk on soil of minimal native fertility. After each harvest, sufficient water was applied to the soil in each pot over a 6-wk period to yield ~2 L (~one pore volume) of leachate to assess potential total N and soluble reactive phosphorus (SRP) losses. Dry matter yields from the PBR treatment applied alone were significantly greater than yields from inorganic fertilizers, biosolids, and poultry manure treatments applied alone, and similar to yields obtained when the supplemental essential plant nutrients were added to the inorganic fertilizer, biosolids, and manure treatments. Leachate N and SRP concentrations from the PBR treatment were significantly lower than in the treatments with inorganic fertilizers, poultry manure, and biosolids. We conclude that PBR can substitute for inorganic fertilizers and other organic sources of plant nutrients to produce bioenergy biomass cheaply, without causing offsite N and P losses in vulnerable soils.
文摘This paper applies weighted least square method to estimate the three-parameter power function equation of the fatigue life curve, and uses comprehensive fatigue life coefficient to correct the equation, and at the same time combines probability statistics method to bring out the prediction method of structure＇s three- parameter power function P-S-N curve, finally applies the prediction method to a ship＇s frame-type elevate, based on the fatigue test data of it＇s material-SA06 aluminium alloy, to obtain it＇s structure＇s three-parameter power function P-S-N curve. Compared with the conventional least square method, the presented method can give
基金supported by the National Key Research and Development Program of China(Grant No.2016YFD0201202,No.2016YFD030080101,No.2022YFD1500701)supported by the Chinese Universities Scientific Fund under award numbers 1191-15051002,1191-10092004,and 1191-31051204.
文摘Investigating the impact of apple-dominated areas on nitrogen(N)and phosphorus(P)losses at a basin scale was essential for the sustainable development of apple industry in China.This study conducted a survey on fertilizer application and built a Soil and Water Assessment Tool(SWAT)model to quantita-tively analyze the N and P losses in the Qixia apple-dominated area.Additionally,the decreases in N and P losses through adjusting the fertilizer application modes were evaluated.Results showed that average N and P losses in the Wulong River Basin(WRB)were 44.4 and 0.365 kg ha^(-1)in 2011-2017,respectively,and apple orchards accounted for 733%and 51.4%of the total N and P losses in the basin.Under nine fertilizer scheduling scenarios,three fertilizer schedule scenarios,automatic fertilizer application(S-AUTO),"one shot"mode(S1),and regulated fertilizer application(S-BSD),had the lowest N and P losses in apple orchards.The decreases in N loss ranged from 20.6%to 26.1%at the subbasin scale and 14.8%-30.7%at the basin outlet when applying the S-AUTO,S1,and S-BSD fertilizer application modes in Qixia apple orchards and all apple orchards in the WRB.The reductions in P loss varied from 22.0%to 46.1%at the subbasin scale and 14.6%-25.6%at the basin outlet.In orchard-dominated basin,N and P losses can be effectively reduced by optimizing the orchard fertilizer scheduling strategies.
基金This work was supported by the National Natural Science Foundation of China （Grant Nos. 11704118, 11774085, and 11404230）, the Scientific Research Fund of Hu- nan Provincial Education Department （Grant Nos. 17A193 and17C0946）, the Hunan Provincial Natural Science Foundation of China （Grant No. 2017JJ3210）, and the Foundation of Science and Technology Bureau of Sichuan Province （No. 2013JY0085）.
文摘Using the nonequilibrium Green＇s function method combined with the tight-binding Hamiltonian, we theoretically investigate the spin-dependent transmission probability and spin Seebeck coefficient of a crossed armchair-edge graphene nanoribbon （AGNR） superl＇attice p-n junction under a perpendicular magnetic field with a ferromagnetic insulator, where junction widths Wi of 40 and 41 are considered to exemplify the effect of semiconducting and metallic AGNRs, respectively. A pristine AGNR system is metallic when the transverse layer m = 3j ＋ 2 with a positive integer j and an insulator otherwise. When stubs are present, a semiconducting AGNR junction with width W1= 40 always shows metallic behavior regardless of the potential drop magnitude, magnetization strength, stub length, and per- pendicular magnetic field strength. However, metallic or semiconducting behavior can be obtained from a metallic AGNR junction with Wi = 41 by adjusting these physical parameters. Furthermore, a metal-to-semiconductor transition can be obtained for both superlattice p-n junctions by adjust- ing the number of periods of the superlattice. In addition, the spin-dependent Seebeck coefficient and spin Seebeck coefficient of the two systems are of the same order of magnitude owing to the appearance of a transmission gap, and the maximum absolute value of the spin Seebeck coefficient reaches 370 μV/K when the optimized parameters are used. The calculated results offer new possi- bilities for designing electronic or heat-spintronic nanodevices based on the graphene superlattice p-n junction.
基金funded by NSFC grants(31570530,41371077)German Research Foundation(DFG FOR 891).
文摘Aims Litter decomposition is a fundamental process within ecosystem functioning,and it is largely dependent on the biodiversity of ecosystems.We explored the effects of species diversity and genetic diversity of litter on the litter decomposition rate.Methods We used laboratory microcosms to determine whether species diversity and genetic diversity and their interaction affect leaf litter decomposition.We set up 8 treatments containing 1,2,4 diversity levels of four broad-leaf species(Alniphyllum fortunei,Idesia polycarpa,Cinnamomum camphora and Daphniphyllum oldhamii)both in species and genetic sense.Totally 246 microcosms containing same amount of soil and litter of prescribed diversity treatment were stored in the dark at 25℃for 12 weeks.Important Findings The effect of litter species diversity on litter decomposition was largely dependent on species composition of the litter mixture in terms of species identity.Overall,the decomposition rate increased linearly with the richness of seed family when the species identity was disregarded.However,no interactive effect of species diversity and genetic diversity on mass loss was detected.The litter decomposition rate was found to be unrelated to the initial carbon(C),whereas it was negatively correlated with the initial total nitrogen(N)and N:P ratio.However,the regression curves of the litter decomposition rate against the total P and C:N ratio displayed quadratic parabolas opening upward and downward,respectively.This study demonstrated how species and/or genetic diversity and the stoichiometry of litter per se affect litter decomposition.Further studies should be performed in the long term to ascertain how such effects operate and how they change during the decomposition process,particularly in response to varying composition and diversity of standing plants in the environments.
