Double pipe heat exchangers(DPHEs)are normally utilized in various manufacturing uses owing to their simple design and low maintenance requirements.For that,performance enhancement by improved heat transfer is ongoing...Double pipe heat exchangers(DPHEs)are normally utilized in various manufacturing uses owing to their simple design and low maintenance requirements.For that,performance enhancement by improved heat transfer is ongoing.Air injections are a good strategy for enhancing the thermal performance of the DPHE.In the present work,the influence of air bubble injection in a DPHE was experimentally investigated,and the system’s hydrothermal performance improvement parameters were evaluated.Two modes were designed,manufactured,and used to conduct the experiments.The first mode was conducted with no air injection,named a single phase mode,while in the second mode,air was injected into the annulus of DPHE throughout different perforated rings on the side of the annular.Three different ring types were used and coded as R-1,R-2,and R-3,with an added case of insertion of the three rings inside the annulus.The airflow rate was fixed at 1.5 LPM with a 25○C inlet temperature.Also,the hot water rate in the inner pipe was maintained continuously at 3 LPM with a controlled 70○C temperature at the inlet.Five different cold water flow rates,3,3.5,4,4.5,and 5 LPM,in the annulus,were considered with a controlled inlet temperature at 17○C.Additionally,the effectiveness of the heat exchanger,the number of transfer units(NTU),and the overall heat transfer were predicted and considered for performance evaluation and comparison.The outcomes proved that the injection of air and the bubbly flow creation in the heat exchanger’s hot side is an effective method to strengthen the DPHE performance.Moreover,the total heat transfer coefficient was enhanced by 41%in R-1,58.8%in R-2,and 40.1%in R-3 at 4 LPM of cold water.The optimal ring,which yielded the most improvement,was R-2,achieving a 65%improvement in NTU,with a maximum enhancement in effectiveness of 56%.展开更多
This study involved numerical simulations of a double tube heat exchanger using the ANSYS FLUENT programversion 22.The study aims to examine methods for minimizing pressure loss and consequently enhancing the thermal ...This study involved numerical simulations of a double tube heat exchanger using the ANSYS FLUENT programversion 22.The study aims to examine methods for minimizing pressure loss and consequently enhancing the thermal performance index(TPI)of a heat exchanger fitted with wavy edge tape that is a heat recovery system(the hot air in simulation instead of t heat from the exhaust gases of the brick factory furnaces and return it to warm the heavy fuel oil by substituting the electrical heater with a heat exchanger to recuperate waste heat from the flue gases,so elevating the temperature of Heavy fuel oil(HFO)to inject from the roof nozzles of combustion chamber of the furnace furthermore reducing cost(by finding the optimal design of wavy edge tape))and energy consumption.Air was selected as the hot gas in the inner pipe instead of furnace exhaust gases due to their similar thermal characteristics.A numerical analysis was conducted to create a novel wavy edge tape with varying widths(50%Di,75%Di,and 95%Di),lengths(1000,1200,1400)mm,amplitudes(5,10,15)mm,and periods of wavy length(5,10,15)mm.The flow rate of the outer pipe fluid(oil)ranges from(0.06 to 0.1)kg/s,while the velocity of the hot fluid(air)varies from(1 to 27)m/s,Re_(air)(6957 to 187,837).The entrance temperature of the hot fluid can be either(200,225,and 250)℃.The study finds that wavy edge tape tubes are more effective than smooth tubes in terms of oil outlet temperature;results revealed that an increase in the oil mass flow rate leads to a decrease in the oil outlet temperature and an increase in the heat transfer rate,at the air temperature 250℃.Additionally,the results indicate that increasing the width,length,and amplitude also leads to an increase in the oil outlet temperature of(94-94.12)℃,the pressure drop of(568.3)Pa,and the Nusselt number(65.7-66.5)respectively on the oil side.Finally,the heat exchanger’s best thermal performance index was found by investigating temperature contour at amplitude(A=5),period(p=15),width(w=75%Di),and length(L=1200 mm).The values for these parameters are,in order(1.02,1.025,1.02,and 1.0077).展开更多
A heat exchanger’s performance depends heavily on the operating fluid’s transfer of heat capacity and thermal conductivity.Adding nanoparticles of high thermal conductivity materials is a significant way to enhance ...A heat exchanger’s performance depends heavily on the operating fluid’s transfer of heat capacity and thermal conductivity.Adding nanoparticles of high thermal conductivity materials is a significant way to enhance the heat transfer fluid’s thermal conductivity.This research used engine oil containing alumina(Al_(2)O_(3))nanoparticles and copper oxide(CuO)to test whether or not the heat exchanger’s efficiency could be improved.To establish the most effective elements for heat transfer enhancement,the heat exchangers thermal performance was tested at 0.05%and 0.1%concentrations for Al_(2)O_(3)and CuO nanoparticles.The simulation results showed that the percentage increase in Nusselt number(Nu)for nanofluid at 0.05%particle concentration compared to pure oil was 9.71%for CuO nanofluids and 6.7%for Al_(2)O_(3)nanofluids.At 0.1%concentration,the enhancement percentage in Nu was approximately 23%for CuO and 18.67%for Al_(2)O_(3)nanofluids,respectively.At a concentration of 0.1%,CuO nanofluid increased the LMTD and overall heat transfer coefficient(U)by 7.24 and 5.91%respectively.Both the overall heat transfer coefficient(U)and the heat transfer coefficient(hn)for CuO nanofluid at a concentration of 0.1%increased by 5.91%and 10.68%,respectively.The effectiveness(εn)of a heat exchanger was increased by roughly 4.09%with the use of CuO nanofluid in comparison to Al_(2)O_(3)at a concentration of 0.1%.The amount of exergy destruction in DTHX goes down as Re and volume fractions go up.Moreover,at 0.05%and 0.1%nanoparticle concentrations,the percentage increase in dimensionless exergy is 10.55%and 13.08%,respectively.Finally,adding the CuO and Al_(2)O_(3)nanoparticles improved the thermal conductivity of the main fluid(oil),resulting in a considerable increase in the thermal performance and rate of heat transfer of a heat exchanger.展开更多
In present work,a helical double tube heat exchanger is proposed in which an advanced turbulator with blades,semi-conical part,and two holes is inserted in inner section.Two geometrical parameters,including angle of t...In present work,a helical double tube heat exchanger is proposed in which an advanced turbulator with blades,semi-conical part,and two holes is inserted in inner section.Two geometrical parameters,including angle of turbulator’s blades(θ) and number of turbulator’s blades(N),are considered.Results indicated that firstly,the best thermal stratification is achieved at θ=180°.Furthermore,at the lowest studied mass flow rate(m = 8 × 10^(-3) kg/s),heat transfer coefficient of turbulator with blade angle of 180° is 130.77%,25%,and 36.36% higher than cases including without turbulator,with turbulator with blade angle of θ =240°,and θ =360°,respectively.Moreover,case with N=12 showed the highest overall performance.At the highest studied mass flow rate(m = 5.842 × 10^(-2) kg/s),heat transfer coefficient for case with N=12 is up to 54.76%,27.45%,and 6.56% higher than cases including without turbulator,with turbulator with N=6,and with turbulator with N=9,respectively.展开更多
Infrared absorption spectra of La0.67-xPrxCa0.33MnO3 （x= 0, 0.18 and 0.36） are experimentally studied in the temperature range 20 -300K. Absorption peak splitting corresponding to the stretching oscillation of the M...Infrared absorption spectra of La0.67-xPrxCa0.33MnO3 （x= 0, 0.18 and 0.36） are experimentally studied in the temperature range 20 -300K. Absorption peak splitting corresponding to the stretching oscillation of the Mn-O bond, together with a shift of peak position, is observed below the Curie temperature. These features weaken and even disappear as the samples are warmed up to the Curie temperature, which indicates that this anomaly may be a result of phase separation in the compounds.展开更多
La2/3 Sr1/3 Mn1-x ZnxO3films （x =0.05, 0.1,0.3, and 0.5） were prepared using magnetron sputtering method, and the effect of Zn doping on transport properties of the films was studied. An analysis of X-ray diffractio...La2/3 Sr1/3 Mn1-x ZnxO3films （x =0.05, 0.1,0.3, and 0.5） were prepared using magnetron sputtering method, and the effect of Zn doping on transport properties of the films was studied. An analysis of X-ray diffraction showed that the main phase of the bulk target was orthorhombic and the films had better epitaxial character. It was found that the films with x =0.05 and x =0.1 exhibited typical insulator-metal transition. No transition of the films with x≥0.3 was observed and the dominant transport was variable-range hopping due to observable secondary phase ZnO. These could be attributed to the Zn doping effect on manganites.展开更多
We report a transition metal such as manganese doped methylammonium lead halide perovskite(MA(Pb:Mn)I_(3)) solar cell with an power conversion efficiency(PCE) over 20%. The rational design and fabrication of MA(Pb:Mn)...We report a transition metal such as manganese doped methylammonium lead halide perovskite(MA(Pb:Mn)I_(3)) solar cell with an power conversion efficiency(PCE) over 20%. The rational design and fabrication of MA(Pb:Mn)I3 lead to the enhancements of all the photovoltaic parameters. To incorporate Mn can effectively eliminate the trap-assist and bi-molecular recombination. The photo-absorption ability at shorter wavelengths(i.e., less than 500 nm) and charge carrier lifetime can be elaborated. More importantly, the existence of the Mn^(2+)-I~--Mn^(3+)motif contributes for the double exchange effect, giving rise to the charge/spin transport. By a combination of linearly and circularly polarized photo-excitations, we have explicitly determined the role of intrinsic spin–orbit coupling(SOC) in MA(Pb:Mn)I_(3). More dark states are expected to be available for the photocurrent generation. This study may pave the way for deep understandings of transition metals doped hybrid perovskites for highly efficient solar cell applications.展开更多
A comparative study for two different series, La0.67Ca0.33Mn1-xCrxO3 and La0.67＋xCa0.33-x Mn1-xCrxO3 is performed with x changing from 0.04 to 0.08 through measurements of zero-field resistivity （p）, magnetoresista...A comparative study for two different series, La0.67Ca0.33Mn1-xCrxO3 and La0.67＋xCa0.33-x Mn1-xCrxO3 is performed with x changing from 0.04 to 0.08 through measurements of zero-field resistivity （p）, magnetoresistance （MR） and ac susceptibility （Z） as functions of temperature （T）. For the second group, a single insulator-metal transition was characterized by the resistivity maximum appears in p vs. T curve. For the first group, besides the resistivity peak appearing at higher temperatures, the sample shows evidence for the existence of another peak appearing at lower temperatures. Compared to the first group, the second group shows a significant enhancement in MR effect, while the measurement ofΧ-T dependence does not display obvious differences for the two series. Different behaviors observed in the two series are discussed by considering possible exchange interaction between Mn^3- ion and Cr^3- ion.展开更多
The new measured data of elastic and inelastic 20Ne+130Te scattering at an energy of 15.3 A MeV are analyzed in framework of the nuclear optical potential.Three types of semi-microscopic potentials are used:the real p...The new measured data of elastic and inelastic 20Ne+130Te scattering at an energy of 15.3 A MeV are analyzed in framework of the nuclear optical potential.Three types of semi-microscopic potentials are used:the real part is calculated using a double folding model in conjunction with the conventional phenomenological Woods-Saxon(WS)potential for the imaginary part.Two real cluster models are constructed using the cluster structure of^(20)Ne nucleus as 5αandα+^(16)O.The real part of the third potential is generated using a CDM3Y6 interaction employed for comparison.Three excited energies to the superposition of the projectile and target states,ground-state(Quasi),1.6 and 2.5 MeV are investigated using deformed potentials.The contributions of these states are calculated using a one-step distorted wave Born approximation and coupled Channels approaches.Successful calculations and results using semi-microscopic potentials in simple one-channel and coupled channels are obtained.The values of cross section and volume integrals require more contributions to enable more comparisons regarding this project.展开更多
A search was made for possible half-metallic(HM)antiferromagnet(AFM)in all the(C_(2)^(92)=406)double perovskites structures of Sr2BB′O6 where BB′pairs are any combination of 3d,4d or 5d transition elements with the ...A search was made for possible half-metallic(HM)antiferromagnet(AFM)in all the(C_(2)^(92)=406)double perovskites structures of Sr2BB′O6 where BB′pairs are any combination of 3d,4d or 5d transition elements with the exception of La.Sr can also be replaced by Ca or Ba whenever HM-AFM was found and similar calculations were then performed in order to probe further possibilities.It was found that A_(2)MoOsO_(6),A_(2)TcReO_(6),A_(2)CrRuO_(6),where A=Ca,Sr,Ba,are all potential candidates for HM-AFM.The AFM of A2BB′O6 comes from both the superexchange mechanism and the generalized double exchange mechanism via the B(t2g)-O2pp-B′(t2g)coupling,With the latter also being the origin of their HM.Also considered were the effects of spin-orbit coupling(SOC)and correlation(+U)by introducing+SOC and+U corrections.It is found that the SOC effect has much less influence than the correlation effect on the HMproperty of the compounds.For A_(2)TcReO_(6)and A_(2)CrRuO_(6),after+U,they become nearlyMott-Insulators.In the future,it is hoped that therewill be further experimental confirmation for these possible HM-AFMcandidates.展开更多
We consider two typical approximations that are used in the microscopic calculations of double-quantum dot spin qubits, namely,the Heitler-London(HL) and the Hund-Mulliken(HM) approximations, which use linear combinat...We consider two typical approximations that are used in the microscopic calculations of double-quantum dot spin qubits, namely,the Heitler-London(HL) and the Hund-Mulliken(HM) approximations, which use linear combinations of Fock-Darwin states to approximate the two-electron states under the double-well confinement potential. We compared these results to a case in which the solution to a one-dimensional Schr ¨odinger equation was exactly known and found that typical microscopic calculations based on Fock-Darwin states substantially underestimate the value of the exchange interaction, which is the key parameter that controls the quantum dot spin qubits. This underestimation originates from the lack of tunneling of Fock-Darwin states, which is accurate only in the case with a single potential well. Our results suggest that the accuracies of the current two-dimensional molecularorbit-theoretical calculations based on Fock-Darwin states should be revisited since underestimation could only deteriorate in dimensions that are higher than one.展开更多
Co_(3)O_(4)spinel oxides have manifested promising activity toward the oxygen evolution reaction(OER)through effective modifications.For them to become top electrocatalysts,however,accurate accounts of the catalytic k...Co_(3)O_(4)spinel oxides have manifested promising activity toward the oxygen evolution reaction(OER)through effective modifications.For them to become top electrocatalysts,however,accurate accounts of the catalytic kinetics are essential to gain a deep understanding of the activity promotion mechanisms.Herein,we use a newly proposed kinetic model based on energetic span as the rate-determining term for the electrocatalytic reaction to throw light on the promotion mechanism of Co_(3)O_(4)interfaced with nickel hydroxides(NiO_(x)H_(y))for the OER.We find that depending on the electrode potential,the OER kinetics at the designed interface between Co_(3)O_(4)and NiO_(x)H_(y)are boosted in entirely different ways.As a result,the OER can occur at a lower onset potential as well as a low Tafel slope.This work emphasizes the benefit of using rational theoretical models for electrocatalyst design.展开更多
文摘Double pipe heat exchangers(DPHEs)are normally utilized in various manufacturing uses owing to their simple design and low maintenance requirements.For that,performance enhancement by improved heat transfer is ongoing.Air injections are a good strategy for enhancing the thermal performance of the DPHE.In the present work,the influence of air bubble injection in a DPHE was experimentally investigated,and the system’s hydrothermal performance improvement parameters were evaluated.Two modes were designed,manufactured,and used to conduct the experiments.The first mode was conducted with no air injection,named a single phase mode,while in the second mode,air was injected into the annulus of DPHE throughout different perforated rings on the side of the annular.Three different ring types were used and coded as R-1,R-2,and R-3,with an added case of insertion of the three rings inside the annulus.The airflow rate was fixed at 1.5 LPM with a 25○C inlet temperature.Also,the hot water rate in the inner pipe was maintained continuously at 3 LPM with a controlled 70○C temperature at the inlet.Five different cold water flow rates,3,3.5,4,4.5,and 5 LPM,in the annulus,were considered with a controlled inlet temperature at 17○C.Additionally,the effectiveness of the heat exchanger,the number of transfer units(NTU),and the overall heat transfer were predicted and considered for performance evaluation and comparison.The outcomes proved that the injection of air and the bubbly flow creation in the heat exchanger’s hot side is an effective method to strengthen the DPHE performance.Moreover,the total heat transfer coefficient was enhanced by 41%in R-1,58.8%in R-2,and 40.1%in R-3 at 4 LPM of cold water.The optimal ring,which yielded the most improvement,was R-2,achieving a 65%improvement in NTU,with a maximum enhancement in effectiveness of 56%.
文摘This study involved numerical simulations of a double tube heat exchanger using the ANSYS FLUENT programversion 22.The study aims to examine methods for minimizing pressure loss and consequently enhancing the thermal performance index(TPI)of a heat exchanger fitted with wavy edge tape that is a heat recovery system(the hot air in simulation instead of t heat from the exhaust gases of the brick factory furnaces and return it to warm the heavy fuel oil by substituting the electrical heater with a heat exchanger to recuperate waste heat from the flue gases,so elevating the temperature of Heavy fuel oil(HFO)to inject from the roof nozzles of combustion chamber of the furnace furthermore reducing cost(by finding the optimal design of wavy edge tape))and energy consumption.Air was selected as the hot gas in the inner pipe instead of furnace exhaust gases due to their similar thermal characteristics.A numerical analysis was conducted to create a novel wavy edge tape with varying widths(50%Di,75%Di,and 95%Di),lengths(1000,1200,1400)mm,amplitudes(5,10,15)mm,and periods of wavy length(5,10,15)mm.The flow rate of the outer pipe fluid(oil)ranges from(0.06 to 0.1)kg/s,while the velocity of the hot fluid(air)varies from(1 to 27)m/s,Re_(air)(6957 to 187,837).The entrance temperature of the hot fluid can be either(200,225,and 250)℃.The study finds that wavy edge tape tubes are more effective than smooth tubes in terms of oil outlet temperature;results revealed that an increase in the oil mass flow rate leads to a decrease in the oil outlet temperature and an increase in the heat transfer rate,at the air temperature 250℃.Additionally,the results indicate that increasing the width,length,and amplitude also leads to an increase in the oil outlet temperature of(94-94.12)℃,the pressure drop of(568.3)Pa,and the Nusselt number(65.7-66.5)respectively on the oil side.Finally,the heat exchanger’s best thermal performance index was found by investigating temperature contour at amplitude(A=5),period(p=15),width(w=75%Di),and length(L=1200 mm).The values for these parameters are,in order(1.02,1.025,1.02,and 1.0077).
文摘A heat exchanger’s performance depends heavily on the operating fluid’s transfer of heat capacity and thermal conductivity.Adding nanoparticles of high thermal conductivity materials is a significant way to enhance the heat transfer fluid’s thermal conductivity.This research used engine oil containing alumina(Al_(2)O_(3))nanoparticles and copper oxide(CuO)to test whether or not the heat exchanger’s efficiency could be improved.To establish the most effective elements for heat transfer enhancement,the heat exchangers thermal performance was tested at 0.05%and 0.1%concentrations for Al_(2)O_(3)and CuO nanoparticles.The simulation results showed that the percentage increase in Nusselt number(Nu)for nanofluid at 0.05%particle concentration compared to pure oil was 9.71%for CuO nanofluids and 6.7%for Al_(2)O_(3)nanofluids.At 0.1%concentration,the enhancement percentage in Nu was approximately 23%for CuO and 18.67%for Al_(2)O_(3)nanofluids,respectively.At a concentration of 0.1%,CuO nanofluid increased the LMTD and overall heat transfer coefficient(U)by 7.24 and 5.91%respectively.Both the overall heat transfer coefficient(U)and the heat transfer coefficient(hn)for CuO nanofluid at a concentration of 0.1%increased by 5.91%and 10.68%,respectively.The effectiveness(εn)of a heat exchanger was increased by roughly 4.09%with the use of CuO nanofluid in comparison to Al_(2)O_(3)at a concentration of 0.1%.The amount of exergy destruction in DTHX goes down as Re and volume fractions go up.Moreover,at 0.05%and 0.1%nanoparticle concentrations,the percentage increase in dimensionless exergy is 10.55%and 13.08%,respectively.Finally,adding the CuO and Al_(2)O_(3)nanoparticles improved the thermal conductivity of the main fluid(oil),resulting in a considerable increase in the thermal performance and rate of heat transfer of a heat exchanger.
文摘In present work,a helical double tube heat exchanger is proposed in which an advanced turbulator with blades,semi-conical part,and two holes is inserted in inner section.Two geometrical parameters,including angle of turbulator’s blades(θ) and number of turbulator’s blades(N),are considered.Results indicated that firstly,the best thermal stratification is achieved at θ=180°.Furthermore,at the lowest studied mass flow rate(m = 8 × 10^(-3) kg/s),heat transfer coefficient of turbulator with blade angle of 180° is 130.77%,25%,and 36.36% higher than cases including without turbulator,with turbulator with blade angle of θ =240°,and θ =360°,respectively.Moreover,case with N=12 showed the highest overall performance.At the highest studied mass flow rate(m = 5.842 × 10^(-2) kg/s),heat transfer coefficient for case with N=12 is up to 54.76%,27.45%,and 6.56% higher than cases including without turbulator,with turbulator with N=6,and with turbulator with N=9,respectively.
基金Supported by the National Natural Science Foundation of China under Grant Nos G50225209 and G50271023, the Key Foundation of Education Ministry of China under Grant G02017 and the Natural Science Foundation of Hebei Province under Grant No G503031.
文摘Infrared absorption spectra of La0.67-xPrxCa0.33MnO3 （x= 0, 0.18 and 0.36） are experimentally studied in the temperature range 20 -300K. Absorption peak splitting corresponding to the stretching oscillation of the Mn-O bond, together with a shift of peak position, is observed below the Curie temperature. These features weaken and even disappear as the samples are warmed up to the Curie temperature, which indicates that this anomaly may be a result of phase separation in the compounds.
基金Project supported by the National Natural Science Foundation of China (50331040, 50702046)
文摘La2/3 Sr1/3 Mn1-x ZnxO3films （x =0.05, 0.1,0.3, and 0.5） were prepared using magnetron sputtering method, and the effect of Zn doping on transport properties of the films was studied. An analysis of X-ray diffraction showed that the main phase of the bulk target was orthorhombic and the films had better epitaxial character. It was found that the films with x =0.05 and x =0.1 exhibited typical insulator-metal transition. No transition of the films with x≥0.3 was observed and the dominant transport was variable-range hopping due to observable secondary phase ZnO. These could be attributed to the Zn doping effect on manganites.
基金supported by the National Natural Science Foundation of China (Grant Nos. 61634001, 11942413, 61974010, and 61904011)the Intergovernmental Cooperation Project, National Key Research and Development Program, Ministry of Science and Technology, China (Grant No. 2019YFE0108400)。
文摘We report a transition metal such as manganese doped methylammonium lead halide perovskite(MA(Pb:Mn)I_(3)) solar cell with an power conversion efficiency(PCE) over 20%. The rational design and fabrication of MA(Pb:Mn)I3 lead to the enhancements of all the photovoltaic parameters. To incorporate Mn can effectively eliminate the trap-assist and bi-molecular recombination. The photo-absorption ability at shorter wavelengths(i.e., less than 500 nm) and charge carrier lifetime can be elaborated. More importantly, the existence of the Mn^(2+)-I~--Mn^(3+)motif contributes for the double exchange effect, giving rise to the charge/spin transport. By a combination of linearly and circularly polarized photo-excitations, we have explicitly determined the role of intrinsic spin–orbit coupling(SOC) in MA(Pb:Mn)I_(3). More dark states are expected to be available for the photocurrent generation. This study may pave the way for deep understandings of transition metals doped hybrid perovskites for highly efficient solar cell applications.
基金the National Natural Science Foundation of China(No.10374032 and 10574049)the Key Project of Education Bureau of Hubei Province(No.2002A04006)
文摘A comparative study for two different series, La0.67Ca0.33Mn1-xCrxO3 and La0.67＋xCa0.33-x Mn1-xCrxO3 is performed with x changing from 0.04 to 0.08 through measurements of zero-field resistivity （p）, magnetoresistance （MR） and ac susceptibility （Z） as functions of temperature （T）. For the second group, a single insulator-metal transition was characterized by the resistivity maximum appears in p vs. T curve. For the first group, besides the resistivity peak appearing at higher temperatures, the sample shows evidence for the existence of another peak appearing at lower temperatures. Compared to the first group, the second group shows a significant enhancement in MR effect, while the measurement ofΧ-T dependence does not display obvious differences for the two series. Different behaviors observed in the two series are discussed by considering possible exchange interaction between Mn^3- ion and Cr^3- ion.
文摘The new measured data of elastic and inelastic 20Ne+130Te scattering at an energy of 15.3 A MeV are analyzed in framework of the nuclear optical potential.Three types of semi-microscopic potentials are used:the real part is calculated using a double folding model in conjunction with the conventional phenomenological Woods-Saxon(WS)potential for the imaginary part.Two real cluster models are constructed using the cluster structure of^(20)Ne nucleus as 5αandα+^(16)O.The real part of the third potential is generated using a CDM3Y6 interaction employed for comparison.Three excited energies to the superposition of the projectile and target states,ground-state(Quasi),1.6 and 2.5 MeV are investigated using deformed potentials.The contributions of these states are calculated using a one-step distorted wave Born approximation and coupled Channels approaches.Successful calculations and results using semi-microscopic potentials in simple one-channel and coupled channels are obtained.The values of cross section and volume integrals require more contributions to enable more comparisons regarding this project.
基金supports received from the National Science Council(99B0320)the National Center for Theoretical Sciences(NCTS),South Taiwan.
文摘A search was made for possible half-metallic(HM)antiferromagnet(AFM)in all the(C_(2)^(92)=406)double perovskites structures of Sr2BB′O6 where BB′pairs are any combination of 3d,4d or 5d transition elements with the exception of La.Sr can also be replaced by Ca or Ba whenever HM-AFM was found and similar calculations were then performed in order to probe further possibilities.It was found that A_(2)MoOsO_(6),A_(2)TcReO_(6),A_(2)CrRuO_(6),where A=Ca,Sr,Ba,are all potential candidates for HM-AFM.The AFM of A2BB′O6 comes from both the superexchange mechanism and the generalized double exchange mechanism via the B(t2g)-O2pp-B′(t2g)coupling,With the latter also being the origin of their HM.Also considered were the effects of spin-orbit coupling(SOC)and correlation(+U)by introducing+SOC and+U corrections.It is found that the SOC effect has much less influence than the correlation effect on the HMproperty of the compounds.For A_(2)TcReO_(6)and A_(2)CrRuO_(6),after+U,they become nearlyMott-Insulators.In the future,it is hoped that therewill be further experimental confirmation for these possible HM-AFMcandidates.
基金supported by the Research Grants Council of the Hong Kong Special Administrative Region of China(Grant No.City U 21300116)the National Natural Science Foundation of China(Grant No.11604277)the Guangdong Innovative and Entrepreneurial Research Team Program(Grant No.2016ZT06D348)
文摘We consider two typical approximations that are used in the microscopic calculations of double-quantum dot spin qubits, namely,the Heitler-London(HL) and the Hund-Mulliken(HM) approximations, which use linear combinations of Fock-Darwin states to approximate the two-electron states under the double-well confinement potential. We compared these results to a case in which the solution to a one-dimensional Schr ¨odinger equation was exactly known and found that typical microscopic calculations based on Fock-Darwin states substantially underestimate the value of the exchange interaction, which is the key parameter that controls the quantum dot spin qubits. This underestimation originates from the lack of tunneling of Fock-Darwin states, which is accurate only in the case with a single potential well. Our results suggest that the accuracies of the current two-dimensional molecularorbit-theoretical calculations based on Fock-Darwin states should be revisited since underestimation could only deteriorate in dimensions that are higher than one.
基金This work was supported by the Natural Science Foundation of China(Grant 21832004)Fundamental Research Funds for the Central Universities(2042021kf1047)+1 种基金China Postdoctoral Science Foundation Funded Project(2021M692470)China National Postdoctoral Program for Innovative Talents(Grant BX20200253).The theoretical calculations have been done on the supercomputing system in the Supercomputing Center of Wuhan University.
文摘Co_(3)O_(4)spinel oxides have manifested promising activity toward the oxygen evolution reaction(OER)through effective modifications.For them to become top electrocatalysts,however,accurate accounts of the catalytic kinetics are essential to gain a deep understanding of the activity promotion mechanisms.Herein,we use a newly proposed kinetic model based on energetic span as the rate-determining term for the electrocatalytic reaction to throw light on the promotion mechanism of Co_(3)O_(4)interfaced with nickel hydroxides(NiO_(x)H_(y))for the OER.We find that depending on the electrode potential,the OER kinetics at the designed interface between Co_(3)O_(4)and NiO_(x)H_(y)are boosted in entirely different ways.As a result,the OER can occur at a lower onset potential as well as a low Tafel slope.This work emphasizes the benefit of using rational theoretical models for electrocatalyst design.
