2-periodic trigonometric interpolation problems on 2n equidistant nodes and 4n+1 equi- distant nodes are considered respectively.Regularity theorems,fundamental polynomials and convergence rate of the corresponding in...2-periodic trigonometric interpolation problems on 2n equidistant nodes and 4n+1 equi- distant nodes are considered respectively.Regularity theorems,fundamental polynomials and convergence rate of the corresponding interpolations are given here.展开更多
The HY-2 satellite carrying a satellite-borne GPS receiver is the first Chinese radar altimeter satellite, whose radial orbit determination precision must reach the centimeter level. Now HY-2 is in the test phase so t...The HY-2 satellite carrying a satellite-borne GPS receiver is the first Chinese radar altimeter satellite, whose radial orbit determination precision must reach the centimeter level. Now HY-2 is in the test phase so that the observations are not openly released. In order to study the precise orbit determination precision and procedure for HY-2 based on the satellite- borne GPS technique, the satellite-borne GPS data are simulated in this paper. The HY-2 satellite-borne GPS antenna can receive at least seven GPS satellites each epoch, which can validate the GPS receiver and antenna design. What＇s more, the precise orbit determination processing flow is given and precise orbit determination experiments are conducted using the HY-2-borne GPS data with both the reduced-dynamic method and the kinematic geometry method. With the 1 and 3 mm phase data random errors, the radial orbit determination precision can achieve the centimeter level using these two methods and the kinematic orbit accuracy is slightly lower than that of the reduced-dynamic orbit. The earth gravity field model is an important factor which seriously affects the precise orbit determination of altimeter satellites. The reduced-dynamic orbit determination experiments are made with different earth gravity field models, such as EIGEN2, EGM96, TEG4, and GEMT3. Using a large number of high precision satellite-bome GPS data, the HY-2 precise orbit determination can reach the centimeter level with commonly used earth gravity field models up to above 50 degrees and orders.展开更多
A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculat...A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculated results on the whole are close to those obtained by use of the ordinary CNDO/2 LCAO-MO calculation,illustrating that the presented procedure is reasonable.Due to its simplicity,the presented calculation procedure may be feasible even in very large molecular s ystems.展开更多
This paper describes a practical method for finding the invariant orbits in Ja relative dynamics. Working with the Hamiltonian model of the relative motion including the J2 perturbation, the effective differential cor...This paper describes a practical method for finding the invariant orbits in Ja relative dynamics. Working with the Hamiltonian model of the relative motion including the J2 perturbation, the effective differential correction algorithm for finding periodic orbits in three-body problem is extended to formation flying of Earth＇s orbiters. Rather than using orbital elements, the analysis is done directly in physical space, which makes a direct connection with physical requirements. The asymptotic behavior of the invariant orbit is indicated by its stable and unstable manifolds. The period of the relative orbits is proved numerically to be slightly different from the ascending node period of the leader satellite, and a preliminary explanation for this phenomenon is presented. Then the compatibility between J2 invariant orbit and desired relative geometry is considered, and the design procedure for the initial values of the compatible configuration is proposed. The influences of measure errors on the invariant orbit are also investigated by the Monte-Carlo simulation.展开更多
Inspired by MXene nanosheets and their regulation of surface functional groups,a series of Ti_(2)C‐based single‐atom electrocatalysts(TM@Ti_(2)CT_(x),TM=V,Cr,Mn,Fe,Co,and Ni)with two dif‐ferent functional groups(T=...Inspired by MXene nanosheets and their regulation of surface functional groups,a series of Ti_(2)C‐based single‐atom electrocatalysts(TM@Ti_(2)CT_(x),TM=V,Cr,Mn,Fe,Co,and Ni)with two dif‐ferent functional groups(T=–O and–S)was designed.The CO_(2)RR catalytic performance was stud‐ied using well‐defined ab initio calculations.Our results show that the CO_(2) molecule can be more readily activated on TM@Ti_(2)CO_(2) than the TM@Ti_(2)CS_(2) surface.Bader charge analysis reveals that the Ti_(2)CO_(2) substrate is involved in the adsorption reaction,and enough electrons are injected into the 2π*u orbital of CO_(2),leading to a V‐shaped CO_(2) molecular configuration and partial negative charge distribution.The V‐shaped CO_(2) further reduces the difficulty of the first hydrogenation reac‐tion step.The calculatedΔG of the first hydrogenation reaction on TM@Ti_(2)CO_(2) was significantly lower than that of the TM@Ti_(2)CS_(2) counterpart.However,the subsequent CO_(2) reduction pathways show that the UL of the potential determining step on TM@Ti_(2)CS_(2) is smaller than that of TM@Ti_(2)CO_(2).Combining the advantages of both TM@Ti_(2)CS_(2) and TM@Ti_(2)CO_(2),we designed a mixed functional group surface with–O and–S to anchor TM atoms.The results show that Cr atoms an‐chored on the surface of mixed functional groups exhibit high catalytic activity for the selective production of CH4.This study opens an exciting new avenue for the rational design of highly selec‐tive MXene‐based single‐atom CO_(2)RR electrocatalysts.展开更多
Electronic states of CF2Cl2 （dichlorodifluoromethane, Freon 12） have been studied using a new type of electron momentum spectrometer with a very high efficiency at an impact energy of 1200 eV plus binding energy. Th...Electronic states of CF2Cl2 （dichlorodifluoromethane, Freon 12） have been studied using a new type of electron momentum spectrometer with a very high efficiency at an impact energy of 1200 eV plus binding energy. The experimental electron momentum profiles are compared with the density functional theory （DFT） and Hartree-Fock （HF） calculations. The relationship between orbital assignments in different coordinate systems is discussed. A new method of difference analysis based on the new type of electron momentum spectrometer is used to clarify the ambiguities regarding the orbital ordering.展开更多
Structural and magnetic properties are investigated for Fe1-xMnxV2O4 （0≤ x ≤ 1） spinels. As orbital-active Fe^2＋ is substituted with Mn^2＋, the cubie-to-tetragonM transition TsI and the tetragonal-to-orthorhombi...Structural and magnetic properties are investigated for Fe1-xMnxV2O4 （0≤ x ≤ 1） spinels. As orbital-active Fe^2＋ is substituted with Mn^2＋, the cubie-to-tetragonM transition TsI and the tetragonal-to-orthorhombic transition Ts2 gradually decrease. These structural transitions originate from the Fe^2＋ ferro-orbital order （F-OO）. Below Yafet-Kittel （YK） magnetic transition TN2, V^3＋ orbital order （V-OO） plays an important role on global structure. Here x = 0.6 is a critical point. Fe^2＋ F-OO and V^3＋ F-OO coexist for 0 ≤ x ≤ 0.5. For x≥ 0.6, the orbital pattern of V^3＋ is antiferro （AF）-00, and Fe^2＋ F-OO disappears. Structural transition Ts3, accompanied by YK magnetic transition TN2, decreases initially, and then increases at x = 0.6. A scenario for the complex phase diagram arising from the cooperation or competition of Fe^2＋ and V^3＋ orbitals is proposed.展开更多
An analytical theory for calculating perturbations of the orbital elements of a satellite due to J2 to accuracy up to fourth power in eccentricity is developed. It is observed that there is significant improvement in ...An analytical theory for calculating perturbations of the orbital elements of a satellite due to J2 to accuracy up to fourth power in eccentricity is developed. It is observed that there is significant improvement in all the orbital elements with the present theory over second-order theory. The theory is used for computing the mean orbital elements, which are found to be more accurate than provided by Bhatnagar and taqvi’s theory (up to second power in eccentricity). Mean elements have a large number of practical applications.展开更多
The precise orbit determination of ChanE-2 is the most important issue for successful mission and scientific applications, while the lunar gravity field model with big un- certainties has large effect on Chang＇E-2 or...The precise orbit determination of ChanE-2 is the most important issue for successful mission and scientific applications, while the lunar gravity field model with big un- certainties has large effect on Chang＇E-2 orbit determination. Recently, several new gravity models have been produced using the latest lunar satellites tracking data, such as LP16SP, SGM1SOJ, GL0900D and GRGM900C. In this paper, the four gravity models mentioned above were evaluated through the power spectra analysis, admittance and coherence analysis. Effect of four lunar gravity models on Chang＇E-2 orbit determination performance is investigated and assessed using Very Long Baseline Interferometry （VLBI） tracking data. The overlap orbit analysis, the posteriori data residual, and the orbit prediction are used to evaluate the orbit precision between successive arcs. The LPI65P model has better orbit overlap performance than the SGM150J model for Chang＇E-2100 km x 100 km orbit and the SGM150J model performs better for Chang＇E-2100 km x 15 km orbit, while GL0900D and GRGM900C have the best orbit overlap results for the two types of Chang＇E-2 orbit. For the orbit prediction, GRGM900C has the best orbit prediction performance in the four models.展开更多
We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr_(2).It crystallizes in a C15-type(cubic MgCu_(2)-type,space group Fd3m)structure in which the Ir atoms form a kagome la...We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr_(2).It crystallizes in a C15-type(cubic MgCu_(2)-type,space group Fd3m)structure in which the Ir atoms form a kagome lattice,with cell parameters a=b=c=7.3596(1)?.Resistivity and magnetic susceptibility measurements indicate that ZrIr_(2) is a type-Ⅱsuperconductor with a transition temperature of 4.0 K.The estimated lower and upper critical fields are 12.8 mT and 4.78 T,respectively.Heat capacity measurements confirm the bulk superconductivity in ZrIr_(2).ZrIr_(2) is found to possibly host strong-coupled s-wave superconductivity with the normalized specific heat change△C_(e)/γT_(c)~1.86 and the coupling strength△_(0)/k_BT_(c)~1.92.First-principles calculations suggest that ZrIr_(2) has three-dimensional Fermi surfaces with simple topologies,and the states at Fermi level mainly originate from the Ir-5d and Zr-4d orbitals.Similar to SrIr_(2) and ThIr_(2),spin–orbit coupling has dramatic influences on the band structure in ZrIr_(2).展开更多
The helicity-dependent photoconductance of the edge states in three-dimensional topological insulator Bi_(2)Te_(3)films is investigated.It is revealed that the helicity-dependent photoconductivity current on the left ...The helicity-dependent photoconductance of the edge states in three-dimensional topological insulator Bi_(2)Te_(3)films is investigated.It is revealed that the helicity-dependent photoconductivity current on the left edge of the Bi_(2)Te_(3)film shows an opposite sign with that on the right edge.In addition,the helicity-dependent photoconductivity current increases linearly with the applied longitudinal electric field,and it reverses the sign with the reversal of the electric field.As the thickness of the Bi_(2)Te_(3)film increases,the helicity-dependent photoconductivity current also increases.Theoretical analysis suggests that the helicity-dependent photo-conductivity current may come from the intrinsic spin orbit coupling(SOC)or the SOC introduced by the chiral impurities or defects.展开更多
Two experimental satellites, Chuangxin 1-03 and Shiyan Satellite 4, were put into orbit on a LM-2D launch vehicle from the Jiuquan Satellite Launch Center (JSLC) in northwest China's Gansu Province on November 20.
2,3-disulfanylbutanedioic acid（DMSA） was found to be a selective depressant in the flotation separation of coppermolybdenum sulfides.The flotation results suggest that a low dosage of DMSA has a strong depression ef...2,3-disulfanylbutanedioic acid（DMSA） was found to be a selective depressant in the flotation separation of coppermolybdenum sulfides.The flotation results suggest that a low dosage of DMSA has a strong depression effect on chalcopyrite in the p H range between 4 and 12.At p H 6,the recoveries of molybdenum are up to 85%,75%,and 80% while those of chalcopyrite are 15%,5%,and 20% respectively when flotation tests are carried out with single minerals,mixed minerals and molybdenum-bearing copper concentrates.Adsorption isotherms measurement indicates that DMSA adsorbs more strongly on chalcopyrite than on molybdenite.The frontier orbital calculation reveals that the two S atoms of DMSA molecule are active centers for the adsorption of the DMSA molecule on chalcopyrite surface.Fermi level calculation shows that chalcopyrite can obtain electrons from the DMSA molecule while molybdenite cannot.展开更多
文摘2-periodic trigonometric interpolation problems on 2n equidistant nodes and 4n+1 equi- distant nodes are considered respectively.Regularity theorems,fundamental polynomials and convergence rate of the corresponding interpolations are given here.
基金supported partially by the National Natural Science Foundation of China (Nos. 40974004 and 40974016)Key Laboratory of Dynamic Geodesy of CAS, China (No. L09-01) R&I Team Support Program and the Graduate Science and Technology Foundation of SDUST, China (No. YCA110403)
文摘The HY-2 satellite carrying a satellite-borne GPS receiver is the first Chinese radar altimeter satellite, whose radial orbit determination precision must reach the centimeter level. Now HY-2 is in the test phase so that the observations are not openly released. In order to study the precise orbit determination precision and procedure for HY-2 based on the satellite- borne GPS technique, the satellite-borne GPS data are simulated in this paper. The HY-2 satellite-borne GPS antenna can receive at least seven GPS satellites each epoch, which can validate the GPS receiver and antenna design. What＇s more, the precise orbit determination processing flow is given and precise orbit determination experiments are conducted using the HY-2-borne GPS data with both the reduced-dynamic method and the kinematic geometry method. With the 1 and 3 mm phase data random errors, the radial orbit determination precision can achieve the centimeter level using these two methods and the kinematic orbit accuracy is slightly lower than that of the reduced-dynamic orbit. The earth gravity field model is an important factor which seriously affects the precise orbit determination of altimeter satellites. The reduced-dynamic orbit determination experiments are made with different earth gravity field models, such as EIGEN2, EGM96, TEG4, and GEMT3. Using a large number of high precision satellite-bome GPS data, the HY-2 precise orbit determination can reach the centimeter level with commonly used earth gravity field models up to above 50 degrees and orders.
文摘A basic calculation procedure for the MOSMO method under CNDO/2 approximation is presented in this paper,and performed by using the same parameters as those used in the ordinary CNDO/2 LCAO-MO calculation.The calculated results on the whole are close to those obtained by use of the ordinary CNDO/2 LCAO-MO calculation,illustrating that the presented procedure is reasonable.Due to its simplicity,the presented calculation procedure may be feasible even in very large molecular s ystems.
基金The project supported by the Innovation Foundation of Beihang University for Ph.D.Graduatesthe National Natural Science Foundation of China(60535010)
文摘This paper describes a practical method for finding the invariant orbits in Ja relative dynamics. Working with the Hamiltonian model of the relative motion including the J2 perturbation, the effective differential correction algorithm for finding periodic orbits in three-body problem is extended to formation flying of Earth＇s orbiters. Rather than using orbital elements, the analysis is done directly in physical space, which makes a direct connection with physical requirements. The asymptotic behavior of the invariant orbit is indicated by its stable and unstable manifolds. The period of the relative orbits is proved numerically to be slightly different from the ascending node period of the leader satellite, and a preliminary explanation for this phenomenon is presented. Then the compatibility between J2 invariant orbit and desired relative geometry is considered, and the design procedure for the initial values of the compatible configuration is proposed. The influences of measure errors on the invariant orbit are also investigated by the Monte-Carlo simulation.
文摘Inspired by MXene nanosheets and their regulation of surface functional groups,a series of Ti_(2)C‐based single‐atom electrocatalysts(TM@Ti_(2)CT_(x),TM=V,Cr,Mn,Fe,Co,and Ni)with two dif‐ferent functional groups(T=–O and–S)was designed.The CO_(2)RR catalytic performance was stud‐ied using well‐defined ab initio calculations.Our results show that the CO_(2) molecule can be more readily activated on TM@Ti_(2)CO_(2) than the TM@Ti_(2)CS_(2) surface.Bader charge analysis reveals that the Ti_(2)CO_(2) substrate is involved in the adsorption reaction,and enough electrons are injected into the 2π*u orbital of CO_(2),leading to a V‐shaped CO_(2) molecular configuration and partial negative charge distribution.The V‐shaped CO_(2) further reduces the difficulty of the first hydrogenation reac‐tion step.The calculatedΔG of the first hydrogenation reaction on TM@Ti_(2)CO_(2) was significantly lower than that of the TM@Ti_(2)CS_(2) counterpart.However,the subsequent CO_(2) reduction pathways show that the UL of the potential determining step on TM@Ti_(2)CS_(2) is smaller than that of TM@Ti_(2)CO_(2).Combining the advantages of both TM@Ti_(2)CS_(2) and TM@Ti_(2)CO_(2),we designed a mixed functional group surface with–O and–S to anchor TM atoms.The results show that Cr atoms an‐chored on the surface of mixed functional groups exhibit high catalytic activity for the selective production of CH4.This study opens an exciting new avenue for the rational design of highly selec‐tive MXene‐based single‐atom CO_(2)RR electrocatalysts.
基金Project supported by the National Natural Science Foundation of China （Grant Nos 19854002, 19774037 and 10274040） and the Research Fund for the Doctorate Program of Higher Education （Grant No 1999000327）.
文摘Electronic states of CF2Cl2 （dichlorodifluoromethane, Freon 12） have been studied using a new type of electron momentum spectrometer with a very high efficiency at an impact energy of 1200 eV plus binding energy. The experimental electron momentum profiles are compared with the density functional theory （DFT） and Hartree-Fock （HF） calculations. The relationship between orbital assignments in different coordinate systems is discussed. A new method of difference analysis based on the new type of electron momentum spectrometer is used to clarify the ambiguities regarding the orbital ordering.
基金Supported by the National Basic Research Program of China under Grant Nos 2011CB921904 and 2012CB927402the National Natural Science Foundation of China under Grant Nos 11074142 and 11021464+1 种基金the Key Project of Chinese Ministry of Education under Grant No 309003the Tsinghua TNList Cross-discipline Foundation
文摘Structural and magnetic properties are investigated for Fe1-xMnxV2O4 （0≤ x ≤ 1） spinels. As orbital-active Fe^2＋ is substituted with Mn^2＋, the cubie-to-tetragonM transition TsI and the tetragonal-to-orthorhombic transition Ts2 gradually decrease. These structural transitions originate from the Fe^2＋ ferro-orbital order （F-OO）. Below Yafet-Kittel （YK） magnetic transition TN2, V^3＋ orbital order （V-OO） plays an important role on global structure. Here x = 0.6 is a critical point. Fe^2＋ F-OO and V^3＋ F-OO coexist for 0 ≤ x ≤ 0.5. For x≥ 0.6, the orbital pattern of V^3＋ is antiferro （AF）-00, and Fe^2＋ F-OO disappears. Structural transition Ts3, accompanied by YK magnetic transition TN2, decreases initially, and then increases at x = 0.6. A scenario for the complex phase diagram arising from the cooperation or competition of Fe^2＋ and V^3＋ orbitals is proposed.
文摘An analytical theory for calculating perturbations of the orbital elements of a satellite due to J2 to accuracy up to fourth power in eccentricity is developed. It is observed that there is significant improvement in all the orbital elements with the present theory over second-order theory. The theory is used for computing the mean orbital elements, which are found to be more accurate than provided by Bhatnagar and taqvi’s theory (up to second power in eccentricity). Mean elements have a large number of practical applications.
基金funded by National Natural Science Foundation of China(41374012)
文摘The precise orbit determination of ChanE-2 is the most important issue for successful mission and scientific applications, while the lunar gravity field model with big un- certainties has large effect on Chang＇E-2 orbit determination. Recently, several new gravity models have been produced using the latest lunar satellites tracking data, such as LP16SP, SGM1SOJ, GL0900D and GRGM900C. In this paper, the four gravity models mentioned above were evaluated through the power spectra analysis, admittance and coherence analysis. Effect of four lunar gravity models on Chang＇E-2 orbit determination performance is investigated and assessed using Very Long Baseline Interferometry （VLBI） tracking data. The overlap orbit analysis, the posteriori data residual, and the orbit prediction are used to evaluate the orbit precision between successive arcs. The LPI65P model has better orbit overlap performance than the SGM150J model for Chang＇E-2100 km x 100 km orbit and the SGM150J model performs better for Chang＇E-2100 km x 15 km orbit, while GL0900D and GRGM900C have the best orbit overlap results for the two types of Chang＇E-2 orbit. For the orbit prediction, GRGM900C has the best orbit prediction performance in the four models.
基金Project supported by the National Key Research and Development of China (Grant Nos.2018YFA0704200 and 2021YFA1401800)the National Natural Science Foundation of China (Grant Nos.12074414 and 11774402)the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No.XDB25000000)。
文摘We report systematic studies on superconducting properties of the Laves phase superconductor ZrIr_(2).It crystallizes in a C15-type(cubic MgCu_(2)-type,space group Fd3m)structure in which the Ir atoms form a kagome lattice,with cell parameters a=b=c=7.3596(1)?.Resistivity and magnetic susceptibility measurements indicate that ZrIr_(2) is a type-Ⅱsuperconductor with a transition temperature of 4.0 K.The estimated lower and upper critical fields are 12.8 mT and 4.78 T,respectively.Heat capacity measurements confirm the bulk superconductivity in ZrIr_(2).ZrIr_(2) is found to possibly host strong-coupled s-wave superconductivity with the normalized specific heat change△C_(e)/γT_(c)~1.86 and the coupling strength△_(0)/k_BT_(c)~1.92.First-principles calculations suggest that ZrIr_(2) has three-dimensional Fermi surfaces with simple topologies,and the states at Fermi level mainly originate from the Ir-5d and Zr-4d orbitals.Similar to SrIr_(2) and ThIr_(2),spin–orbit coupling has dramatic influences on the band structure in ZrIr_(2).
基金Project supported by the National Natural Science Foundation of China(Grant Nos.62074036 and 61674038)the National Key Research and Development Program of China(Grant No.2016YFB0402303)。
文摘The helicity-dependent photoconductance of the edge states in three-dimensional topological insulator Bi_(2)Te_(3)films is investigated.It is revealed that the helicity-dependent photoconductivity current on the left edge of the Bi_(2)Te_(3)film shows an opposite sign with that on the right edge.In addition,the helicity-dependent photoconductivity current increases linearly with the applied longitudinal electric field,and it reverses the sign with the reversal of the electric field.As the thickness of the Bi_(2)Te_(3)film increases,the helicity-dependent photoconductivity current also increases.Theoretical analysis suggests that the helicity-dependent photo-conductivity current may come from the intrinsic spin orbit coupling(SOC)or the SOC introduced by the chiral impurities or defects.
文摘Two experimental satellites, Chuangxin 1-03 and Shiyan Satellite 4, were put into orbit on a LM-2D launch vehicle from the Jiuquan Satellite Launch Center (JSLC) in northwest China's Gansu Province on November 20.
基金Project(2012BAB01B03)supported by the National Key Technology Support Program of China
文摘2,3-disulfanylbutanedioic acid（DMSA） was found to be a selective depressant in the flotation separation of coppermolybdenum sulfides.The flotation results suggest that a low dosage of DMSA has a strong depression effect on chalcopyrite in the p H range between 4 and 12.At p H 6,the recoveries of molybdenum are up to 85%,75%,and 80% while those of chalcopyrite are 15%,5%,and 20% respectively when flotation tests are carried out with single minerals,mixed minerals and molybdenum-bearing copper concentrates.Adsorption isotherms measurement indicates that DMSA adsorbs more strongly on chalcopyrite than on molybdenite.The frontier orbital calculation reveals that the two S atoms of DMSA molecule are active centers for the adsorption of the DMSA molecule on chalcopyrite surface.Fermi level calculation shows that chalcopyrite can obtain electrons from the DMSA molecule while molybdenite cannot.
