By means of the energy level formula E(p)=α+2βcos(pπ/(n+t+1)). the pseudo π ionization potentials of H-(CH_2)_n-X (X=H, F, Cl, Br, I, OH, and SH) are identified by optimizing linear regression analysis, from which...By means of the energy level formula E(p)=α+2βcos(pπ/(n+t+1)). the pseudo π ionization potentials of H-(CH_2)_n-X (X=H, F, Cl, Br, I, OH, and SH) are identified by optimizing linear regression analysis, from which α=13.54±0.50eV and β=1.75±0.13eV are obtained.展开更多
The Duffin-Kemmer-Petiau equation （DKP） is studied in the presence of a pseudo-harmonic oscillatory ring-shaped potential in （1 ＋ 3）-dimensional space-time for spin-one particles. The exact energy eigenvalues and...The Duffin-Kemmer-Petiau equation （DKP） is studied in the presence of a pseudo-harmonic oscillatory ring-shaped potential in （1 ＋ 3）-dimensional space-time for spin-one particles. The exact energy eigenvalues and the eigenfunctions are obtained using the Nikiforov-Uvarov method.展开更多
In this paper, the principle of spatial nonlocal empirical pseudopotential and its detailed calculation procedure is presented. Consequently, this technique is employed to calculate the band structures of Silicon and ...In this paper, the principle of spatial nonlocal empirical pseudopotential and its detailed calculation procedure is presented. Consequently, this technique is employed to calculate the band structures of Silicon and Germaniun. By comparing the results with photoemission experimental data, the validity and accuracy of this calculation are fully conformed for valence or conductance band, respectively. Thus it can be concluded that the spin-orbit Hamiltonian will only affect the energy band gap and another conductance or valence band structure. Therefore, this nonlocal approach without spin-orbit part is adequate for the device simulation of only one carrier transport such as metal oxide semiconductor field effect transistors (MOSFET)’s, and it can significantly reduce the complication of band structure calculation.展开更多
Yuan Longping proposed that smash-ridging technology could be extend-ed widely nationwide. ln the research, smash-ridging technology reconstruct cultiva-tion layers with loose soils in agricultural fields, creating ＂...Yuan Longping proposed that smash-ridging technology could be extend-ed widely nationwide. ln the research, smash-ridging technology reconstruct cultiva-tion layers with loose soils in agricultural fields, creating ＂4453＂ effects, as fol ows： ＂Four increases＂ include to increase loosen soil quantity in cultivation layers, soil nutri-ents use, ＂water pool＂ in soils, and ＂oxygen pool＂ in soils. Four reductions are to reduce soil erosion, carbon emission, salt content and heavy metal in soils. Five resistances refer to improve crop resistance capacity in terms of drought, high tem-perature, lower temperature, disease and lodging. Three improvements indicate to enhance photosynthetic efficiency over 10%, yield in 10%-30% and quality over 5%. lt is researched that without additional chemical fertilizer, yield could increase by 10% by labor force, animal, tractor or smash-ridging machine. What’s more, by smash-ridging cultivation, the depth can be 20 times or higher compared with tractor cultivation, with looser soils. lt is estimated that if smash-ridging cultivation is applied once in agricultural lands in China, present soil layers can be twice as deep as present. Specifical y, the thickness of loose soil-layers could be extended from 10-18 cm at present to 25-35 cm, and natural rainfal would increase by 40 bil ion cm3. After vitalization of soil nutrients, chemical fertilizer would decrease by 7 bil ion kg, and the increased c rops would feed more than 300 mil ion population as per yield at 7 50 kg/hm2.展开更多
Air pollution has environmental issue owing become a serious to its diverse harmful effects on the physical and biological environment. According to the Environmental Protection Agency （EPA） and the World Health Org...Air pollution has environmental issue owing become a serious to its diverse harmful effects on the physical and biological environment. According to the Environmental Protection Agency （EPA） and the World Health Organization （WHO）, air pollution affects millions of people worldwide. Hundreds of thousands of deaths each year and a range of diseases, particularly among vulnerable groups （i.e., children, the elderly, and people with special medical conditions）, are attributed to air pollution. These effects are not always caused by single pollutant in the air; rather, they are considered consequences of the multi-pollutants to which people are simultaneously exposed.展开更多
Relativistic symmetries of the Dirac equation under spin and pseudo-spin symmetries are investigated and a combina- tion of Deng-Fan and Eckart potentials with Coulomb-like and Yukawa-like tensor interaction terms are...Relativistic symmetries of the Dirac equation under spin and pseudo-spin symmetries are investigated and a combina- tion of Deng-Fan and Eckart potentials with Coulomb-like and Yukawa-like tensor interaction terms are considered. The energy equation is obtained by using the Nikiforov-Uvarov method and the corresponding wave functions are expressed in terms of the hypergeometric functions. The effects of the Coulomb and Yukawa tensor interactions are numerically discussed as well.展开更多
The variational analysis of the Pseudo-potential function-vortex-potential function model, a new mathematical model, was developed and by which the flow field with transonic speed and curl was decided, and different s...The variational analysis of the Pseudo-potential function-vortex-potential function model, a new mathematical model, was developed and by which the flow field with transonic speed and curl was decided, and different sorts of the variational principle for vortex potential function were established by transforming the original equation for vortex-function, the boundary conditions for vortex-potential function was raised.展开更多
Proceeding from natural amino acid L-asparagine and commercially available aldehydes a stereoselective synthesis was developed of (2S,4S)-2-alkyl(aryl)-3-(3-sulfanylpropanoyl)-6-oxohexahy- dropyrimidine-4-carboxylic a...Proceeding from natural amino acid L-asparagine and commercially available aldehydes a stereoselective synthesis was developed of (2S,4S)-2-alkyl(aryl)-3-(3-sulfanylpropanoyl)-6-oxohexahy- dropyrimidine-4-carboxylic acids, potential antihypertensive drugs, inhibitors of the angiotensin converting enzyme.展开更多
The splitting of potential energy levels for ground state X^2∏g of O^x2 （x = ＋1,-1） under spin-orbit coupling （SOC） has been calculated by using the spin-orbit （SO） multi-configuration quasi-degenerate perturb...The splitting of potential energy levels for ground state X^2∏g of O^x2 （x = ＋1,-1） under spin-orbit coupling （SOC） has been calculated by using the spin-orbit （SO） multi-configuration quasi-degenerate perturbation theory （SO-MCQDPT）. Their Murrell-Sorbie （M S） potential functions are gained, and then the spectroscopic constants for electronic states 2^∏1/2 and 2^∏3/2 are derived from the M S function. The vertical excitation energies for O^x2 （x = ＋1,-1） are v[O2＋1^（2∏3/2→X^2∏1/2）] =195.652cm^-1, and v[O2^-1（2^∏1/2 →X^2∏3/2）] =182.568cm^-1, respectively. All the spectroscopic data for electronic states 2^∏1/2 and 2^∏3/2 are given for the first time.展开更多
A hierarchical model is developed to predict the streaming potential （SP） in the canaliculi of a loaded os teon. Canaliculi are assumed to run straight across the os teon annular cylinder wall, while disregarding th...A hierarchical model is developed to predict the streaming potential （SP） in the canaliculi of a loaded os teon. Canaliculi are assumed to run straight across the os teon annular cylinder wall, while disregarding the effect of lacuna. SP is generalized by the canalicular fluid flow. Ana lytical solutions are obtained for the canalicular fluid veloc ity, pressure, and SP. Results demonstrate that SP amplitude （SPA） is proportional to the pressure difference, strain am plitude, frequency, and strain rate amplitude. However, the key loading factor governing SP is the strain rate, which is a representative loading parameter under the specific phys iological state. Moreover, SPA is independent of canalicu lar length. This model links external loads to the canalicu lar fluid pressure, velocity, and SP, which can facilitate fur ther understanding of the mechanotransduction and electro mechanotransduction mechanisms of bones.展开更多
In the present investigation, Bhavnagar lignites of the Saurashtra basin （Gujarat） have been studied to assess their hydrocarbon generating potential. The samples of upper as well as lower lignite seams have been st...In the present investigation, Bhavnagar lignites of the Saurashtra basin （Gujarat） have been studied to assess their hydrocarbon generating potential. The samples of upper as well as lower lignite seams have been studied through microscopy and subjected to various chemical analyses viz. proximate analysis, ultimate analysis and Rock-Eval Pyrolysis. These lignites have high moisture and low to moderate ash yield but are characterized by high volatile matter. Petro- graphically they comprise predominantly of huminite group maceral while liptinite and inertinite groups occur in sub- ordinated amount. Huminite is chiefly composed of detrohuminite and telohuminite. The Tma~ （av. 416.23 ~C） and huminite reflectivity （0.28%-0.30%） indicate a low degree of maturity for these lignites which is also substantiated by the T,n~~ versus hydrogen index plot. The organic matter is subjugated by kerogen Type-III with a potential to expel hydrocarbon on liquefaction. Study further reveals that the fixed hydrocarbon is several folds higher than the free hydrocarbons. Being high in reactive maceral content, a high ＇conversion＇ and good ＇oil yield＇ values for these lignites were observed. Thus, the empirically derived values match well with those obtained through the experimental values of Rock-Eval Pyrolysis and validate their hydrocarbon generating potential.展开更多
We study the effects of the perpendicular magnetic and Aharonov-Bohm （AB） flux fields on the energy levels of a two-dimensional （2D） Klein Gordon （KG） particle subjected to an equal scalar and vector pseudo-harm...We study the effects of the perpendicular magnetic and Aharonov-Bohm （AB） flux fields on the energy levels of a two-dimensional （2D） Klein Gordon （KG） particle subjected to an equal scalar and vector pseudo-harmonic oscillator （PHO）. We calculate the exact energy eigenvalues and normalized wave functions in terms of chemical potential param- eter, magnetic field strength, AB flux field, and magnetic quantum number by means of the Nikiforov Uvarov （NU） method. The non-relativistic limit, PHO, and harmonic oscillator solutions in the existence and absence of external fields are also obtained.展开更多
Since rate effect of materials plays a key role in impact engineering, the microscopic mechanism of rate effect is investigated at molecular level in this paper. The results show that rate effect on the strength of at...Since rate effect of materials plays a key role in impact engineering, the microscopic mechanism of rate effect is investigated at molecular level in this paper. The results show that rate effect on the strength of atomic system is closely related to the coupled evolution of atomic motions and potential landscapes. Accordingly, it becomes possible to develop a new algorithm of molecular simulation, which could properly and efficiently demonstrate strain rate effect under a wide range of loading rates and unveil the mecha- nisms underlying the strain rate effects.展开更多
The regular and chaotic dynamics of test particles in a superposed field between a pseudo-Newtonian Kerr black hole and quadrupolar halos is detailed.In particular,the dependence of dynamics on the quadrupolar paramet...The regular and chaotic dynamics of test particles in a superposed field between a pseudo-Newtonian Kerr black hole and quadrupolar halos is detailed.In particular,the dependence of dynamics on the quadrupolar parameter of the halos and the spin angular momentum of the rotating black hole is studied.It is found that the small quadrupolar moment,in contrast with the spin angular momentum,does not have a great effect on the stability and radii of the innermost stable circular orbits of these test particles.In addition,chaos mainly occurs for small absolute values of the rotating parameters,and does not exist for the maximum counter-rotating case under some certain initial conditions and parameters.This means that the rotating parameters of the black hole weaken the chaotic properties.It is also found that the counter-rotating system is more unstable than the co-rotating one.Furthermore,chaos is absent for small absolute values of the quadrupoles,and the onset of chaos is easier for the prolate halos than for the oblate ones.展开更多
The equilibrium potential of fluffy dust grains in plasma are calculated for comet P/Halley and comet P/G-Z. It is found that the dust equilibrium potential linearly correlates with the logarithm of electron density. ...The equilibrium potential of fluffy dust grains in plasma are calculated for comet P/Halley and comet P/G-Z. It is found that the dust equilibrium potential linearly correlates with the logarithm of electron density. We propose this relationship can also be applied to comet Hale-Bopp.展开更多
The segregation of bismuth atoms on the [101] tilt copper grain boundaries Σ3 (111) 70.53°, Σ33 (545) 58.99°, Σ11(323) 50.48° and Σ9 (212) 38.94° has been studied by pseudo-molecular dynamics u...The segregation of bismuth atoms on the [101] tilt copper grain boundaries Σ3 (111) 70.53°, Σ33 (545) 58.99°, Σ11(323) 50.48° and Σ9 (212) 38.94° has been studied by pseudo-molecular dynamics using the empirical N-body potentials. The relationship between bismuth segregation and grain boundary structure has been discussed in detail.展开更多
文摘By means of the energy level formula E(p)=α+2βcos(pπ/(n+t+1)). the pseudo π ionization potentials of H-(CH_2)_n-X (X=H, F, Cl, Br, I, OH, and SH) are identified by optimizing linear regression analysis, from which α=13.54±0.50eV and β=1.75±0.13eV are obtained.
文摘The Duffin-Kemmer-Petiau equation （DKP） is studied in the presence of a pseudo-harmonic oscillatory ring-shaped potential in （1 ＋ 3）-dimensional space-time for spin-one particles. The exact energy eigenvalues and the eigenfunctions are obtained using the Nikiforov-Uvarov method.
文摘In this paper, the principle of spatial nonlocal empirical pseudopotential and its detailed calculation procedure is presented. Consequently, this technique is employed to calculate the band structures of Silicon and Germaniun. By comparing the results with photoemission experimental data, the validity and accuracy of this calculation are fully conformed for valence or conductance band, respectively. Thus it can be concluded that the spin-orbit Hamiltonian will only affect the energy band gap and another conductance or valence band structure. Therefore, this nonlocal approach without spin-orbit part is adequate for the device simulation of only one carrier transport such as metal oxide semiconductor field effect transistors (MOSFET)’s, and it can significantly reduce the complication of band structure calculation.
基金Supported by the Key Project of Science and Technology of Guangxi(1222014-2C)Achievements Transformation Project of Guangxi Academy of Agricultural Science and Technology(201405)Fundamental Research Funds for Guangxi Academy of Agricultural Science and Technology(2014YZ07)~~
文摘Yuan Longping proposed that smash-ridging technology could be extend-ed widely nationwide. ln the research, smash-ridging technology reconstruct cultiva-tion layers with loose soils in agricultural fields, creating ＂4453＂ effects, as fol ows： ＂Four increases＂ include to increase loosen soil quantity in cultivation layers, soil nutri-ents use, ＂water pool＂ in soils, and ＂oxygen pool＂ in soils. Four reductions are to reduce soil erosion, carbon emission, salt content and heavy metal in soils. Five resistances refer to improve crop resistance capacity in terms of drought, high tem-perature, lower temperature, disease and lodging. Three improvements indicate to enhance photosynthetic efficiency over 10%, yield in 10%-30% and quality over 5%. lt is researched that without additional chemical fertilizer, yield could increase by 10% by labor force, animal, tractor or smash-ridging machine. What’s more, by smash-ridging cultivation, the depth can be 20 times or higher compared with tractor cultivation, with looser soils. lt is estimated that if smash-ridging cultivation is applied once in agricultural lands in China, present soil layers can be twice as deep as present. Specifical y, the thickness of loose soil-layers could be extended from 10-18 cm at present to 25-35 cm, and natural rainfal would increase by 40 bil ion cm3. After vitalization of soil nutrients, chemical fertilizer would decrease by 7 bil ion kg, and the increased c rops would feed more than 300 mil ion population as per yield at 7 50 kg/hm2.
文摘Air pollution has environmental issue owing become a serious to its diverse harmful effects on the physical and biological environment. According to the Environmental Protection Agency （EPA） and the World Health Organization （WHO）, air pollution affects millions of people worldwide. Hundreds of thousands of deaths each year and a range of diseases, particularly among vulnerable groups （i.e., children, the elderly, and people with special medical conditions）, are attributed to air pollution. These effects are not always caused by single pollutant in the air; rather, they are considered consequences of the multi-pollutants to which people are simultaneously exposed.
文摘Relativistic symmetries of the Dirac equation under spin and pseudo-spin symmetries are investigated and a combina- tion of Deng-Fan and Eckart potentials with Coulomb-like and Yukawa-like tensor interaction terms are considered. The energy equation is obtained by using the Nikiforov-Uvarov method and the corresponding wave functions are expressed in terms of the hypergeometric functions. The effects of the Coulomb and Yukawa tensor interactions are numerically discussed as well.
文摘The variational analysis of the Pseudo-potential function-vortex-potential function model, a new mathematical model, was developed and by which the flow field with transonic speed and curl was decided, and different sorts of the variational principle for vortex potential function were established by transforming the original equation for vortex-function, the boundary conditions for vortex-potential function was raised.
文摘Proceeding from natural amino acid L-asparagine and commercially available aldehydes a stereoselective synthesis was developed of (2S,4S)-2-alkyl(aryl)-3-(3-sulfanylpropanoyl)-6-oxohexahy- dropyrimidine-4-carboxylic acids, potential antihypertensive drugs, inhibitors of the angiotensin converting enzyme.
基金supported by the National Natural Science Foundation of China (Grant Nos 10574096 and 10676025)the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No 20050610010)the Scientific Research Foundation of Young Teacher of Guizhou Normal University, China
文摘The splitting of potential energy levels for ground state X^2∏g of O^x2 （x = ＋1,-1） under spin-orbit coupling （SOC） has been calculated by using the spin-orbit （SO） multi-configuration quasi-degenerate perturbation theory （SO-MCQDPT）. Their Murrell-Sorbie （M S） potential functions are gained, and then the spectroscopic constants for electronic states 2^∏1/2 and 2^∏3/2 are derived from the M S function. The vertical excitation energies for O^x2 （x = ＋1,-1） are v[O2＋1^（2∏3/2→X^2∏1/2）] =195.652cm^-1, and v[O2^-1（2^∏1/2 →X^2∏3/2）] =182.568cm^-1, respectively. All the spectroscopic data for electronic states 2^∏1/2 and 2^∏3/2 are given for the first time.
基金supported by the OIT of Higher Learning Institutions of Shanxithe National Natural Science Foundation of China(11302143,11472185)Natural Science Fund of Shanxi(2014021013)
文摘A hierarchical model is developed to predict the streaming potential （SP） in the canaliculi of a loaded os teon. Canaliculi are assumed to run straight across the os teon annular cylinder wall, while disregarding the effect of lacuna. SP is generalized by the canalicular fluid flow. Ana lytical solutions are obtained for the canalicular fluid veloc ity, pressure, and SP. Results demonstrate that SP amplitude （SPA） is proportional to the pressure difference, strain am plitude, frequency, and strain rate amplitude. However, the key loading factor governing SP is the strain rate, which is a representative loading parameter under the specific phys iological state. Moreover, SPA is independent of canalicu lar length. This model links external loads to the canalicu lar fluid pressure, velocity, and SP, which can facilitate fur ther understanding of the mechanotransduction and electro mechanotransduction mechanisms of bones.
文摘In the present investigation, Bhavnagar lignites of the Saurashtra basin （Gujarat） have been studied to assess their hydrocarbon generating potential. The samples of upper as well as lower lignite seams have been studied through microscopy and subjected to various chemical analyses viz. proximate analysis, ultimate analysis and Rock-Eval Pyrolysis. These lignites have high moisture and low to moderate ash yield but are characterized by high volatile matter. Petro- graphically they comprise predominantly of huminite group maceral while liptinite and inertinite groups occur in sub- ordinated amount. Huminite is chiefly composed of detrohuminite and telohuminite. The Tma~ （av. 416.23 ~C） and huminite reflectivity （0.28%-0.30%） indicate a low degree of maturity for these lignites which is also substantiated by the T,n~~ versus hydrogen index plot. The organic matter is subjugated by kerogen Type-III with a potential to expel hydrocarbon on liquefaction. Study further reveals that the fixed hydrocarbon is several folds higher than the free hydrocarbons. Being high in reactive maceral content, a high ＇conversion＇ and good ＇oil yield＇ values for these lignites were observed. Thus, the empirically derived values match well with those obtained through the experimental values of Rock-Eval Pyrolysis and validate their hydrocarbon generating potential.
文摘We study the effects of the perpendicular magnetic and Aharonov-Bohm （AB） flux fields on the energy levels of a two-dimensional （2D） Klein Gordon （KG） particle subjected to an equal scalar and vector pseudo-harmonic oscillator （PHO）. We calculate the exact energy eigenvalues and normalized wave functions in terms of chemical potential param- eter, magnetic field strength, AB flux field, and magnetic quantum number by means of the Nikiforov Uvarov （NU） method. The non-relativistic limit, PHO, and harmonic oscillator solutions in the existence and absence of external fields are also obtained.
基金supported by the National Basic Research Program of China (973 Program)(2012CB937500)the National Natural Science Foundation of China (11202212,10932011,11021262,11172024,11172305,and 11232013)
文摘Since rate effect of materials plays a key role in impact engineering, the microscopic mechanism of rate effect is investigated at molecular level in this paper. The results show that rate effect on the strength of atomic system is closely related to the coupled evolution of atomic motions and potential landscapes. Accordingly, it becomes possible to develop a new algorithm of molecular simulation, which could properly and efficiently demonstrate strain rate effect under a wide range of loading rates and unveil the mecha- nisms underlying the strain rate effects.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10873007,11173012,and 11178002)
文摘The regular and chaotic dynamics of test particles in a superposed field between a pseudo-Newtonian Kerr black hole and quadrupolar halos is detailed.In particular,the dependence of dynamics on the quadrupolar parameter of the halos and the spin angular momentum of the rotating black hole is studied.It is found that the small quadrupolar moment,in contrast with the spin angular momentum,does not have a great effect on the stability and radii of the innermost stable circular orbits of these test particles.In addition,chaos mainly occurs for small absolute values of the rotating parameters,and does not exist for the maximum counter-rotating case under some certain initial conditions and parameters.This means that the rotating parameters of the black hole weaken the chaotic properties.It is also found that the counter-rotating system is more unstable than the co-rotating one.Furthermore,chaos is absent for small absolute values of the quadrupoles,and the onset of chaos is easier for the prolate halos than for the oblate ones.
基金theNationalNaturalScienceFoundationofChinaUnderGrant (No .199730 18& 196 5 30 0 1)
文摘The equilibrium potential of fluffy dust grains in plasma are calculated for comet P/Halley and comet P/G-Z. It is found that the dust equilibrium potential linearly correlates with the logarithm of electron density. We propose this relationship can also be applied to comet Hale-Bopp.
基金The subject supported by the Chinese Academy of Sciences and National Natural Science Foundation of China
文摘The segregation of bismuth atoms on the [101] tilt copper grain boundaries Σ3 (111) 70.53°, Σ33 (545) 58.99°, Σ11(323) 50.48° and Σ9 (212) 38.94° has been studied by pseudo-molecular dynamics using the empirical N-body potentials. The relationship between bismuth segregation and grain boundary structure has been discussed in detail.
