By extending the concept of diffusion to the potential energy landscapes(PELs), we introduce the meansquared energy difference(MSED) as a novel quantity to investigate the intrinsic properties of supercooled liquids. ...By extending the concept of diffusion to the potential energy landscapes(PELs), we introduce the meansquared energy difference(MSED) as a novel quantity to investigate the intrinsic properties of supercooled liquids. MSED can provide a clear description of the “energy relaxation” process on a PEL. Through MSED analysis, we have obtained a characteristic time similar to that derived from structure analysis, namely τ_(α)^(*).Further, we establish a connection between MSED and the feature of PELs, providing a concise and quantitative description of PELs. The relaxation behavior of energy has been found to follow a stretched exponential form.As the temperature decreases, the roughness of the accessible PEL changes significantly around a characteristic temperature T_(x), which is 20% higher than the glass transition temperature T_(g) and is comparable to the critical temperature of the mode-coupling theory. More importantly, one of the PEL parameters is closely related to the Adam–Gibbs configurational entropy. The present research, which directly links the PEL to the relaxation process, provides avenues for further research of glasses.展开更多
Equations(2)and(6)and the corresponding discussion in the paper[Chin.Phys.Lett.42,056301(2025)]have been corrected.These modiffcations do not affect the results derived in the paper.
A new thermodynamic expression for Gibbs free energy difference AG between the under-cooled liquid and the corresponding crystals of bulk metallic glasses was derived. The newly proposed expression always gives result...A new thermodynamic expression for Gibbs free energy difference AG between the under-cooled liquid and the corresponding crystals of bulk metallic glasses was derived. The newly proposed expression always gives results in fairly good agreement with experimental values over entire temperature range between the fusion temperature Tm and the glass transition temperature Tg of Pd40Ni40P20, Pd40Cu30Ni10P20 and Pd43Cu27Ni10P20, which possess different heat capacities. However, the TS and KN expressions cannot always provide results in good agreement with the experimental values. In addition, the deviations between the experimental values and the AG calculated by the proposed expression at Tg are smaller than those given by other expressions for all the bulk metallic glasses studied.展开更多
The 1st-order symmetry energy coefficient of nuclear matter induced merely by the neutron-proton （n p） mass difference is derived analytically, which turns out to be completely model-independent. Based on this resul...The 1st-order symmetry energy coefficient of nuclear matter induced merely by the neutron-proton （n p） mass difference is derived analytically, which turns out to be completely model-independent. Based on this result, （npDM） the 1st-order symmetry energy Esym,1 （A） of heavy nuclei such as 2~spb induced by the np mass difference is investigated with the help of a local density approximation combined with the Skyrme energy density functionals. Although /U（npDM） Esym,1 （A） is small compared with the second-order symmetry energy, it cannot be dropped simply for an accurate estimation of nuclear masses as it is still larger than the rms deviation given by some accurate mass formulas. It is therefore suggested that one perhaps needs to distinguish the neutron mass from the proton one in the construction of nuclear density funetionals.展开更多
We study the energy scaling of terahertz (THz) emission through difference frequency generation of near-infrared pulses, and demonstrate that Gigawatt few-cycle THz transients at the central frequency of 30 THz are pr...We study the energy scaling of terahertz (THz) emission through difference frequency generation of near-infrared pulses, and demonstrate that Gigawatt few-cycle THz transients at the central frequency of 30 THz are produced from GaSe crystal pumped by two pulses at 1.65 and 1.95 micrometers, with the high quantum yield of 28%. Our analysis indicates that the high yield of DFG originates from the largely reduced group velocity mismatch as the long-wavelength pumping pulses are employed.展开更多
Chemical effects on the Kβ/Kα intensity ratios and △E energy differences for Co, Ni, Cu, and Zn complexes were investigated. The samples were excited by 59.5 keV γ-rays from a ^241Am annular radioactive source. K ...Chemical effects on the Kβ/Kα intensity ratios and △E energy differences for Co, Ni, Cu, and Zn complexes were investigated. The samples were excited by 59.5 keV γ-rays from a ^241Am annular radioactive source. K X-rays emitted by samples were counted by an Ultra-LEGe detector with a resolution of 150 eV at 5.9 keV. We observed the effects of different ligands on the Kβ/Kα intensity ratios and △E energy differences for Co, Ni, Cu, and Zn complexes. We tried to investigate chemical effects on central atoms using the behaviors of different ligands in these complexes. The experimental values of Kβ/Kα were compared with the theoretical and other experimental values of pure Co, Ni, Cu, and Zn.展开更多
To investigate the mechanical response during failure and the impact tendency characteristics of gangue-coal combined structure,uniaxial compression tests were conducted on nine groups of combined structures,each with...To investigate the mechanical response during failure and the impact tendency characteristics of gangue-coal combined structure,uniaxial compression tests were conducted on nine groups of combined structures,each with varying gangue thicknesses and positions.The response patterns of compressive strength,elastic modulus,pre-peak accumulated energy,elastic energy index,and impact energy index were systematically analyzed.Furthermore,a new index for evaluating the impact tendency of gangue-containing coal was proposed,and its effectiveness was verified.The findings are as follows:(1)As the gangue thickness increases,both the compressive strength and the pre-peak energy of the combined structure decrease,whereas the elastic modulus increases accordingly.When the gangue is located in the lower middle position,the combined structure exhibits the lowest compressive strength and elastic modulus but the highest pre peak energy.(2)As the gangue shifts toward the middle position of the combined structure,the failure mode gradually transitions from comple te“crushing”failure to an incomplete“point-type”failure.As gangue thickness further increases,the failure region evolves from overall failure to localized failure,with the degree of failure shifting from complete to incomplete.The K_(crc)value corresponding to“crushing”complete failure is higher and has a stronger impact tendency compared to“point-type”incomplete failure.(3)The proposed comprehensive impact instability evaluation index K_(crc)for the gangue-coal combined structure has shown a significant positive correlation with compressive strength(R_(c))and impact energy index(K_(E)),further verifyi ng its rationality in comprehensively assessing the impact tendency of gangue-containing coal bodies.Applying this index to the evaluation of gangue-containing coal seams provides a more accurate reflection of their impact tendency compared with the residual energy index,which has a wide range of potential applications and practical significance.展开更多
Unloading failure of the coal-rock(CR)system is the key factor leading to rock burst disaster.Therefore,it is very important to explore the failure mechanism of the CR system by laboratory test.Initially,CR composite ...Unloading failure of the coal-rock(CR)system is the key factor leading to rock burst disaster.Therefore,it is very important to explore the failure mechanism of the CR system by laboratory test.Initially,CR composite samples underwent laboratory tests with unloading pressure at various rates(0.03–0.12 MPa/s).However,due to the limitations of the available monitoring equipment,the recorded deformation data were restricted to the coal mass,which may lead to inaccurate conclusions as potential rock deformation was not captured.Subsequently,coal and rock mass deformations were separately monitored by simulating corresponding unloading pressure tests using PFC2D numerical software.Simulation results suggested that the peak of the AE event during the critical stage before sample failure could serve as an indicator of imminent sample destabilization.Post-failure observation revealed a higher degree of damage in the coal mass(35.02%)compared to the rock mass(12.17%),indicating that coal mass destabilization triggers destabilization in CR composite samples.Moreover,faster unloading rates corresponded to deeper damage in the coal mass.Additionally,macroscopic tensile and tensileshear cracks were observed in the rock mass,while macroscopic shear cracks were present in the coal mass,providing insights into the unloading confining failure mode of CR samples.Finally,the study established a relationship between unloading rate and bursting liability by introducing the elastic energy density difference index.The research results can provide a theoretical basis for the prevention and control of rock burst disasters.展开更多
The tensor parts of Skyrme interactions are constrained from the collective charge-exchange spin-dipole and Gamow-Teller excitation energies in 90Zr and 208Pb,together with the isotopic dependence of energy splitting ...The tensor parts of Skyrme interactions are constrained from the collective charge-exchange spin-dipole and Gamow-Teller excitation energies in 90Zr and 208Pb,together with the isotopic dependence of energy splitting between proton h11=2 and g7=2 single-particle orbits along the Z=50 isotopes.With the optimized tensor interactions,the binding energies of spherical or weakly deformed nuclei with A=54-228 are studied systematically.The present results show that the global effect of tensor interaction is attractive and systematically increases the binding energies of all these nuclei and makes the nuclei more bound.The root mean squared deviation of the calculated binding energies from the experimental values is significantly improved by the optimized tensor interactions,and the contribution of the tensor interaction to the binding energy is estimated.展开更多
Rotor-bearings systems applied widely in industry are nonlinear dynamic systems of multi-degree-of-freedom. Modem concepts on design and maintenance call for quantitative stability analysis. Using trajectory based sta...Rotor-bearings systems applied widely in industry are nonlinear dynamic systems of multi-degree-of-freedom. Modem concepts on design and maintenance call for quantitative stability analysis. Using trajectory based stability-preserving and dimensional-reduction, a quantitative stability analysis method for rotor systems is presented. At first, an n-dimensional nonlinear non-autonomous rotor system is decoupled into n subsystems after numerical integration. Each of them has only onedegree-of-freedom and contains time-varying parameters to represent all other state variables. In this way, n-dimensional trajectory is mapped into a set of one-dimensional trajectories. Dynamic central point （DCP） of a subsystem is then defined on the extended phase plane, namely, force-position plane. Characteristics of curves on the extended phase plane and the DCP＇s kinetic energy difference sequence for general motion in rotor systems are studied. The corresponding stability margins of trajectory are evaluated quantitatively. By means of the margin and its sensitivity analysis, the critical parameters of the period doubling bifurcation and the Hopf bifurcation in a flexible rotor supported by two short journal bearings with nonlinear suspensionare are determined.展开更多
Combining Raman spectroscopy with density functional theory, the populations of the trans- and gaucheethanol conformers are investigated in carbon tetrachloride （CC14） and carbon disulfide （CS2）. The spectral cont...Combining Raman spectroscopy with density functional theory, the populations of the trans- and gaucheethanol conformers are investigated in carbon tetrachloride （CC14） and carbon disulfide （CS2）. The spectral contributions of two ethanol conformers are identified in OH stretching region. The energy difference between both conformers is estimated with the aid of the calculated Raman cross sections. It can be seen that the trans- ethanol is more stable in CC14 and CS2 solutions. The spectra are also obtained at different temperatures, and it is found the van＇t Hoff analysis is invalid in these solutions. By taking accounts of the Boltzmann distribution and theoretical Raman cross section, the energy difference is found to be increased with temperature, which shows the weak intermolecular interactions can enhance the population of transethanol.展开更多
A proper operating strategy is helpful to improve the off-design performance of combined cooling,heating and power(CCHP)systems,providing high efficiency and low emission.The energy level difference graphic analysis m...A proper operating strategy is helpful to improve the off-design performance of combined cooling,heating and power(CCHP)systems,providing high efficiency and low emission.The energy level difference graphic analysis method is used to identify energy level as well as exergy destruction of the part-load process.This method illustrates the energy efficiency upgrading mechanism of the flue gas reinjecting(FGR)operating strategy.It is referenced to a reducing turbine inlet temperature(TIT)operating strategy.By comparison,the FGR operating strategy leads to a 2.62%exergy distribution reduction in a gas turbine at an 85%load level due to the decrease of the energy level difference.When the output power is reduced further,the FGR operating strategy is supplanted by the TIT operating strategy with the limit of compressor inlet temperature.However,the opposite results of exergy distribution are presented in the exhaust-heat recovery devices.A heat-driven refrigeration and power cycle is introduced in a typical CCHP system as a solution.Moreover,the results suggest that the operational flexibility of the CCHP system is improved by enlarging the ratio of cooling to electricity.展开更多
The effects of microalloying of Ti and B on the glass formation of Cu60Pr30Ni10Al10-2xTixBx（x = 0, 0.05% （atom fraction）） amorphous alloys was investigated using differential scanning calorimetry （DSC） and X-ray...The effects of microalloying of Ti and B on the glass formation of Cu60Pr30Ni10Al10-2xTixBx（x = 0, 0.05% （atom fraction）） amorphous alloys was investigated using differential scanning calorimetry （DSC） and X-ray diffraction （XRD）. XRD analysis showed that mieroalloying with 0.05% Ti and 0.05% B improved the glass forming ability （GFA）. The smaller difference in the Gibbs free energy between the liquid and crystalline states at the glass transition temperature （△G1-X（Tg）） and the smaller thermodynamic fragility index （△Sf/Tm, where ASf is the entropy of fusion, and Tm is the melting temperature） after mieroalloying correlated with the higher GFA.展开更多
The highest occupied molecular orbital（HOMO） energies of fullerenes are found by quantitative first-principles calculations to be raised by negative charging, and the rising rate rank of the fullerenes is C60 >C7...The highest occupied molecular orbital（HOMO） energies of fullerenes are found by quantitative first-principles calculations to be raised by negative charging, and the rising rate rank of the fullerenes is C60 >C70 >C80 >C90>C100 >C180. Then we compare fullerenes with carbon nanotubes（CNTs） and graphene sheets（GSs） and find that the increase of the HOMO energy of a fullerene is much faster than that of CNTs and graphene sheets with the same number of C atoms. The rising rate rank is fullerene>CNT>GS, which holds no matter what the number of C atoms is or which structure the fullerene isomer is. This work paves a new path for developing all-carbon devices with low-dimensional carbon nanomaterials as different functional elements.展开更多
The ground-state mass excess of the T_(z)=−2 drip-line nucleus ^(22)Al is measured for the first time as 18103(10)keV using the newly-developed Bρ-defined isochronous mass spectrometry method at the cooler storage ri...The ground-state mass excess of the T_(z)=−2 drip-line nucleus ^(22)Al is measured for the first time as 18103(10)keV using the newly-developed Bρ-defined isochronous mass spectrometry method at the cooler storage ring in Lanzhou.The new mass excess value allowed us to determine the excitation energies of the two low-lying 1+states in ^(22)Al with significantly reduced uncertainties of 51 keV.When compared to the analogue states in its mirror nucleus ^(22)F,the mirror energy differences of the two 1^(+)states in the ^(22)Al-^(22)F mirror pair are determined to be−625(51)keV and−330(51)keV.The excitation energies and mirror energy differences are used to test the state-of-the-art ab initio valence-space in-medium similarity renormalization group calculations with four sets of interactions derived from the chiral effective field theory.The mechanism leading to the large mirror energy differences is investigated and attributed to the occupation of theπs_(1/2) orbital.展开更多
Fast pyrolysis bio-oils(fpBO)were extracted with two alternative commercial transportation fuels,hydrocarbon diesel and bio-diesel.The extraction of fpBO with commercial diesel fuel provided a yield of 4.3 wt%,but the...Fast pyrolysis bio-oils(fpBO)were extracted with two alternative commercial transportation fuels,hydrocarbon diesel and bio-diesel.The extraction of fpBO with commercial diesel fuel provided a yield of 4.3 wt%,but the yield increased significantly to 26.6 wt%when bio-diesel was the extractant.The molecular weight of fpBO before and after extraction were consistent with the loss of a more soluble,low molecular weight fraction from the crude fpBO.The relative energy difference(RED),based on the Hansen solubility parameter(HSP),is used to examine the extraction efficiency of specific compounds in the two different‘solvents’.Differences in the RED values could be used to rationalize differences in the partitioning of common fpBO phenolics.展开更多
基金supported by the National Key Research and Development Program of China (Grant No. 2022YFA1404603)by the National Natural Science Foundation of China (Grant Nos. 12274127 and 12188101)。
文摘By extending the concept of diffusion to the potential energy landscapes(PELs), we introduce the meansquared energy difference(MSED) as a novel quantity to investigate the intrinsic properties of supercooled liquids. MSED can provide a clear description of the “energy relaxation” process on a PEL. Through MSED analysis, we have obtained a characteristic time similar to that derived from structure analysis, namely τ_(α)^(*).Further, we establish a connection between MSED and the feature of PELs, providing a concise and quantitative description of PELs. The relaxation behavior of energy has been found to follow a stretched exponential form.As the temperature decreases, the roughness of the accessible PEL changes significantly around a characteristic temperature T_(x), which is 20% higher than the glass transition temperature T_(g) and is comparable to the critical temperature of the mode-coupling theory. More importantly, one of the PEL parameters is closely related to the Adam–Gibbs configurational entropy. The present research, which directly links the PEL to the relaxation process, provides avenues for further research of glasses.
文摘Equations(2)and(6)and the corresponding discussion in the paper[Chin.Phys.Lett.42,056301(2025)]have been corrected.These modiffcations do not affect the results derived in the paper.
基金Acknowledgement The project was supported by Scientific Research Fund of Hunan Provincial Education Department （06B038） and Postdoctoral Science Foundation of Central South University.
文摘A new thermodynamic expression for Gibbs free energy difference AG between the under-cooled liquid and the corresponding crystals of bulk metallic glasses was derived. The newly proposed expression always gives results in fairly good agreement with experimental values over entire temperature range between the fusion temperature Tm and the glass transition temperature Tg of Pd40Ni40P20, Pd40Cu30Ni10P20 and Pd43Cu27Ni10P20, which possess different heat capacities. However, the TS and KN expressions cannot always provide results in good agreement with the experimental values. In addition, the deviations between the experimental values and the AG calculated by the proposed expression at Tg are smaller than those given by other expressions for all the bulk metallic glasses studied.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11405223,11175219,11275271 and 11435014the National Basic Research Program of China under Grant No 2013CB834405+3 种基金the Knowledge Innovation Project of Chinese Academy of Sciences under Grant No KJCX2-EW-N01the Funds for Creative Research Groups of China under Grant No 11321064the Youth Innovation Promotion Association of Chinese Academy of Sciencesthe K.C.Wong Education Foundation
文摘The 1st-order symmetry energy coefficient of nuclear matter induced merely by the neutron-proton （n p） mass difference is derived analytically, which turns out to be completely model-independent. Based on this result, （npDM） the 1st-order symmetry energy Esym,1 （A） of heavy nuclei such as 2~spb induced by the np mass difference is investigated with the help of a local density approximation combined with the Skyrme energy density functionals. Although /U（npDM） Esym,1 （A） is small compared with the second-order symmetry energy, it cannot be dropped simply for an accurate estimation of nuclear masses as it is still larger than the rms deviation given by some accurate mass formulas. It is therefore suggested that one perhaps needs to distinguish the neutron mass from the proton one in the construction of nuclear density funetionals.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11274326,61221064,61405222,11134010 and 11127901the Shanghai Sailing Program under Grant No 14YF1406200
文摘We study the energy scaling of terahertz (THz) emission through difference frequency generation of near-infrared pulses, and demonstrate that Gigawatt few-cycle THz transients at the central frequency of 30 THz are produced from GaSe crystal pumped by two pulses at 1.65 and 1.95 micrometers, with the high quantum yield of 28%. Our analysis indicates that the high yield of DFG originates from the largely reduced group velocity mismatch as the long-wavelength pumping pulses are employed.
文摘Chemical effects on the Kβ/Kα intensity ratios and △E energy differences for Co, Ni, Cu, and Zn complexes were investigated. The samples were excited by 59.5 keV γ-rays from a ^241Am annular radioactive source. K X-rays emitted by samples were counted by an Ultra-LEGe detector with a resolution of 150 eV at 5.9 keV. We observed the effects of different ligands on the Kβ/Kα intensity ratios and △E energy differences for Co, Ni, Cu, and Zn complexes. We tried to investigate chemical effects on central atoms using the behaviors of different ligands in these complexes. The experimental values of Kβ/Kα were compared with the theoretical and other experimental values of pure Co, Ni, Cu, and Zn.
基金Project(52274130)supported by the National Natural Science Foundation of ChinaProject(ZR2024ZD22)supported by the Major Basic Research Project of the Shandong Provincial Natural Science Foundation,China+1 种基金Project(2023375)supported by the Guizhou University Research and Innovation Team,ChinaProject(LH[2024]-026)supported by the Guizhou Science and Technology Plan Project,China。
文摘To investigate the mechanical response during failure and the impact tendency characteristics of gangue-coal combined structure,uniaxial compression tests were conducted on nine groups of combined structures,each with varying gangue thicknesses and positions.The response patterns of compressive strength,elastic modulus,pre-peak accumulated energy,elastic energy index,and impact energy index were systematically analyzed.Furthermore,a new index for evaluating the impact tendency of gangue-containing coal was proposed,and its effectiveness was verified.The findings are as follows:(1)As the gangue thickness increases,both the compressive strength and the pre-peak energy of the combined structure decrease,whereas the elastic modulus increases accordingly.When the gangue is located in the lower middle position,the combined structure exhibits the lowest compressive strength and elastic modulus but the highest pre peak energy.(2)As the gangue shifts toward the middle position of the combined structure,the failure mode gradually transitions from comple te“crushing”failure to an incomplete“point-type”failure.As gangue thickness further increases,the failure region evolves from overall failure to localized failure,with the degree of failure shifting from complete to incomplete.The K_(crc)value corresponding to“crushing”complete failure is higher and has a stronger impact tendency compared to“point-type”incomplete failure.(3)The proposed comprehensive impact instability evaluation index K_(crc)for the gangue-coal combined structure has shown a significant positive correlation with compressive strength(R_(c))and impact energy index(K_(E)),further verifyi ng its rationality in comprehensively assessing the impact tendency of gangue-containing coal bodies.Applying this index to the evaluation of gangue-containing coal seams provides a more accurate reflection of their impact tendency compared with the residual energy index,which has a wide range of potential applications and practical significance.
基金supported by the National Natural Science Foundation of China(No.52274087)the Natural Science Foundation of Shandong Province(No.ZR2023ME189).
文摘Unloading failure of the coal-rock(CR)system is the key factor leading to rock burst disaster.Therefore,it is very important to explore the failure mechanism of the CR system by laboratory test.Initially,CR composite samples underwent laboratory tests with unloading pressure at various rates(0.03–0.12 MPa/s).However,due to the limitations of the available monitoring equipment,the recorded deformation data were restricted to the coal mass,which may lead to inaccurate conclusions as potential rock deformation was not captured.Subsequently,coal and rock mass deformations were separately monitored by simulating corresponding unloading pressure tests using PFC2D numerical software.Simulation results suggested that the peak of the AE event during the critical stage before sample failure could serve as an indicator of imminent sample destabilization.Post-failure observation revealed a higher degree of damage in the coal mass(35.02%)compared to the rock mass(12.17%),indicating that coal mass destabilization triggers destabilization in CR composite samples.Moreover,faster unloading rates corresponded to deeper damage in the coal mass.Additionally,macroscopic tensile and tensileshear cracks were observed in the rock mass,while macroscopic shear cracks were present in the coal mass,providing insights into the unloading confining failure mode of CR samples.Finally,the study established a relationship between unloading rate and bursting liability by introducing the elastic energy density difference index.The research results can provide a theoretical basis for the prevention and control of rock burst disasters.
基金supported by the National Natural Science Foundation of China(Nos.11575120 and 11822504)JSPS KAKENHI(No.JP19K03858)
文摘The tensor parts of Skyrme interactions are constrained from the collective charge-exchange spin-dipole and Gamow-Teller excitation energies in 90Zr and 208Pb,together with the isotopic dependence of energy splitting between proton h11=2 and g7=2 single-particle orbits along the Z=50 isotopes.With the optimized tensor interactions,the binding energies of spherical or weakly deformed nuclei with A=54-228 are studied systematically.The present results show that the global effect of tensor interaction is attractive and systematically increases the binding energies of all these nuclei and makes the nuclei more bound.The root mean squared deviation of the calculated binding energies from the experimental values is significantly improved by the optimized tensor interactions,and the contribution of the tensor interaction to the binding energy is estimated.
文摘Rotor-bearings systems applied widely in industry are nonlinear dynamic systems of multi-degree-of-freedom. Modem concepts on design and maintenance call for quantitative stability analysis. Using trajectory based stability-preserving and dimensional-reduction, a quantitative stability analysis method for rotor systems is presented. At first, an n-dimensional nonlinear non-autonomous rotor system is decoupled into n subsystems after numerical integration. Each of them has only onedegree-of-freedom and contains time-varying parameters to represent all other state variables. In this way, n-dimensional trajectory is mapped into a set of one-dimensional trajectories. Dynamic central point （DCP） of a subsystem is then defined on the extended phase plane, namely, force-position plane. Characteristics of curves on the extended phase plane and the DCP＇s kinetic energy difference sequence for general motion in rotor systems are studied. The corresponding stability margins of trajectory are evaluated quantitatively. By means of the margin and its sensitivity analysis, the critical parameters of the period doubling bifurcation and the Hopf bifurcation in a flexible rotor supported by two short journal bearings with nonlinear suspensionare are determined.
文摘Combining Raman spectroscopy with density functional theory, the populations of the trans- and gaucheethanol conformers are investigated in carbon tetrachloride （CC14） and carbon disulfide （CS2）. The spectral contributions of two ethanol conformers are identified in OH stretching region. The energy difference between both conformers is estimated with the aid of the calculated Raman cross sections. It can be seen that the trans- ethanol is more stable in CC14 and CS2 solutions. The spectra are also obtained at different temperatures, and it is found the van＇t Hoff analysis is invalid in these solutions. By taking accounts of the Boltzmann distribution and theoretical Raman cross section, the energy difference is found to be increased with temperature, which shows the weak intermolecular interactions can enhance the population of transethanol.
基金supported by the National Natural Science Foundation of China(Grant No.52006213)。
文摘A proper operating strategy is helpful to improve the off-design performance of combined cooling,heating and power(CCHP)systems,providing high efficiency and low emission.The energy level difference graphic analysis method is used to identify energy level as well as exergy destruction of the part-load process.This method illustrates the energy efficiency upgrading mechanism of the flue gas reinjecting(FGR)operating strategy.It is referenced to a reducing turbine inlet temperature(TIT)operating strategy.By comparison,the FGR operating strategy leads to a 2.62%exergy distribution reduction in a gas turbine at an 85%load level due to the decrease of the energy level difference.When the output power is reduced further,the FGR operating strategy is supplanted by the TIT operating strategy with the limit of compressor inlet temperature.However,the opposite results of exergy distribution are presented in the exhaust-heat recovery devices.A heat-driven refrigeration and power cycle is introduced in a typical CCHP system as a solution.Moreover,the results suggest that the operational flexibility of the CCHP system is improved by enlarging the ratio of cooling to electricity.
基金Project supported by the National Natural Science Foundation of China (50471052)Natural Science Foundation of Shandong Province (Z2004F02)
文摘The effects of microalloying of Ti and B on the glass formation of Cu60Pr30Ni10Al10-2xTixBx（x = 0, 0.05% （atom fraction）） amorphous alloys was investigated using differential scanning calorimetry （DSC） and X-ray diffraction （XRD）. XRD analysis showed that mieroalloying with 0.05% Ti and 0.05% B improved the glass forming ability （GFA）. The smaller difference in the Gibbs free energy between the liquid and crystalline states at the glass transition temperature （△G1-X（Tg）） and the smaller thermodynamic fragility index （△Sf/Tm, where ASf is the entropy of fusion, and Tm is the melting temperature） after mieroalloying correlated with the higher GFA.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11374174,51390471,51527803,and 51701143the National Basic Research Program of China under Grant No 2015CB654902+4 种基金the National Key Research and Development Program under Grant No 2016YFB0700402the Foundation for the Author of National Excellent Doctoral Dissertation under Grant No 201141the National Program for Thousand Young Talents of China,the Tianjin Municipal Education Commissionthe Tianjin Municipal Science and Technology Commissionthe Fundamental Research Fund of Tianjin University of Technology
文摘The highest occupied molecular orbital（HOMO） energies of fullerenes are found by quantitative first-principles calculations to be raised by negative charging, and the rising rate rank of the fullerenes is C60 >C70 >C80 >C90>C100 >C180. Then we compare fullerenes with carbon nanotubes（CNTs） and graphene sheets（GSs） and find that the increase of the HOMO energy of a fullerene is much faster than that of CNTs and graphene sheets with the same number of C atoms. The rising rate rank is fullerene>CNT>GS, which holds no matter what the number of C atoms is or which structure the fullerene isomer is. This work paves a new path for developing all-carbon devices with low-dimensional carbon nanomaterials as different functional elements.
基金Supported in part by the Strategic Priority Research Program of Chinese Academy of Sciences (XDB34000000)the CAS Project for Young Scientists in Basic Research (YSBR-002)+4 种基金the National Nature Science Foundation of China (12135017,12121005,11975280,12105333,12205340,12322507,12305126,12305151)the Gansu Natural Science Foundation (22JR5RA123,23JRRA614)the National Key R&D Program of China (2021YFA1601500)Support from the Youth Innovation Promotion Association of Chinese Academy of Sciences (2021419,2022423)support from Young Scholar of Regional Development,CAS ([2023]15).
文摘The ground-state mass excess of the T_(z)=−2 drip-line nucleus ^(22)Al is measured for the first time as 18103(10)keV using the newly-developed Bρ-defined isochronous mass spectrometry method at the cooler storage ring in Lanzhou.The new mass excess value allowed us to determine the excitation energies of the two low-lying 1+states in ^(22)Al with significantly reduced uncertainties of 51 keV.When compared to the analogue states in its mirror nucleus ^(22)F,the mirror energy differences of the two 1^(+)states in the ^(22)Al-^(22)F mirror pair are determined to be−625(51)keV and−330(51)keV.The excitation energies and mirror energy differences are used to test the state-of-the-art ab initio valence-space in-medium similarity renormalization group calculations with four sets of interactions derived from the chiral effective field theory.The mechanism leading to the large mirror energy differences is investigated and attributed to the occupation of theπs_(1/2) orbital.
基金IBSS project funded by Agriculture and Food Research Initiative Competitive Grant no.2011-68005-30410 from the USDA National Institute of Food and Agriculture.
文摘Fast pyrolysis bio-oils(fpBO)were extracted with two alternative commercial transportation fuels,hydrocarbon diesel and bio-diesel.The extraction of fpBO with commercial diesel fuel provided a yield of 4.3 wt%,but the yield increased significantly to 26.6 wt%when bio-diesel was the extractant.The molecular weight of fpBO before and after extraction were consistent with the loss of a more soluble,low molecular weight fraction from the crude fpBO.The relative energy difference(RED),based on the Hansen solubility parameter(HSP),is used to examine the extraction efficiency of specific compounds in the two different‘solvents’.Differences in the RED values could be used to rationalize differences in the partitioning of common fpBO phenolics.
