The gas phase thermodynamic properties of 135 polychlorinated xanthones(PCXTs)are calculated using a combination of quantum mechanical computations performed with the Gaussian 03 program at the B3LYP/6-311G**level.It ...The gas phase thermodynamic properties of 135 polychlorinated xanthones(PCXTs)are calculated using a combination of quantum mechanical computations performed with the Gaussian 03 program at the B3LYP/6-311G**level.It is found that the chlorine substitution pattern strongly influences the thermodynamic properties of the compounds.The thermodynamic properties of congeners with the same number of chlorines also depend on the chlorine substitution pattern,especially for ortho-substituted congeners.PCXT congeners with one phenyl ring fully chlorinated are found to be the least stable among the analogues.The effect of the chlorine substitution pattern is quantitatively studied by considering the number and position of Cl atom substitution(NPCS).The results show that the NPCS model may be used to predict the thermodynamic properties for all 135 PCXT congeners. In addition,the values of molar heat capacities at constant pressure(cp,m)from 200 to 1000 K for PCXT congeners are calculated,and the temperature dependence relation of this parameter is obtained using the least-squares method.展开更多
Zero-dimensional metal halide perovskites have captured intense research interest owing to their unique optoelectronic properties.Particularly,metal halides with the ns^(2) electronic configuration are of great intere...Zero-dimensional metal halide perovskites have captured intense research interest owing to their unique optoelectronic properties.Particularly,metal halides with the ns^(2) electronic configuration are of great interest owing to the high-temperature sensitivity of their photoluminescence,which could be applied to remote optical thermometry(ROT).Herein,all-inorganic and lead-free halide perovskite Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O single crystals(SCs)were prepared through the hydrothermal method and showed a strong temperature dependence of photoluminescence lifetime.Upon Te^(4+) doping,the nonemissive Cs_(2)InCl_(5)·H_(2)O SC exhibits a bright orange emission at 660 nm with a wide full width at half maximum of 180 nm.The strong phonon-exciton coupling promotes the formation of self-trapped excitons in the soft lattice of the zero-dimensional Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O SC.The Te^(4+) ions with the 5 s^(2) electronic configuration endow the Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O SC with a strong temperaturedependent photoluminescence lifetime.This SC reaches a maximum specific sensitivity of 0.062 K^(-1) at 320 K,thereby showing the potential advantages of indium-based metal halide perovskites in ROT applications.展开更多
Consider a backward heat equation in a bounded domain Ω (?) R2 with the noisy data in the initial time geometry. The aim is to find the temperature for 0 < ε < t < T. For this ill-posed problem, the authors...Consider a backward heat equation in a bounded domain Ω (?) R2 with the noisy data in the initial time geometry. The aim is to find the temperature for 0 < ε < t < T. For this ill-posed problem, the authors give a continuous dependence estimate of the solution. Moreover, the convergence rate of the approximate solution is also given.展开更多
In this paper,the mechanical degradation of natural fiber composites is studied with the consideration of the relative humidity and the temperature.A nonlinear constitutive model is established,which employs an intern...In this paper,the mechanical degradation of natural fiber composites is studied with the consideration of the relative humidity and the temperature.A nonlinear constitutive model is established,which employs an internal variable to describe the mechanical degradation related to the energy dissipation during moisture absorption.The existing experimental researches demonstrated that the mechanical degradation is an irreversible thermodynamic process induced by the degradation of fibers and the damages of interfaces between fiber and matrix,both of which depend on the variation of the relative humidity or the temperature.The evolution of the mechanical degradation is obtained through the determination of dissipation rates as a function of the relative humidity and the temperature.The theoretically predicted mechanical degradations are compared with experimental results of sisal fiber reinforced composites subject to different relative humidity and temperatures,and a good agreement is found.展开更多
As relaxor ferroelectric functional materials, their crystal structures depend on temperature, component, electric filed, pressure, and so on, which are important for the applications of sensors, transducers, and actu...As relaxor ferroelectric functional materials, their crystal structures depend on temperature, component, electric filed, pressure, and so on, which are important for the applications of sensors, transducers, and actuators. For the case of PbTiO3-based ferroelectrics Pb(Zn2/3Nb2/3)O3-PbTiO3, Pb(Mg1/3Nb2/3)O3-PbTiO3, Pb(In1/2Nb1/2)O3-Pb(Mgu3Nb2/3)O3-PbTiO3 and some other crystals, they have been extensively investigated due to the excellent electromechanical and piezoelectric properties. Generally, ferroelectric crystal structure and corresponding phase diagram are detected by temperature-dependent high resolution X-ray diffraction, low frequency dielectric permittivity, and domain structures. In this review, we focus on the novel condensed matter spectroscopy (i.e., spectroscopic ellipsometry, transmittance, photoluminescence spectra as well as Raman spectra), which is nondestructive, noncontact, and sensitive optical techniques for probing symmetries, phase transitions and phase diagrams of ferroelectric crystals. Besides, it can supply some other physical and chemical information for ferroelectric and semiconductor functional materials such as optical band gap, electronic transitions, dielectric functions, optical conductivity, absorption, pho- non modes, lattice dynamics as functions of temperature and PT composition.展开更多
Using classical time-average approximation, critical temperature and condensed solution in holographic pwave superconductors with a time-dependent source is investigated in probe limit. By choosing suitable gauge fiel...Using classical time-average approximation, critical temperature and condensed solution in holographic pwave superconductors with a time-dependent source is investigated in probe limit. By choosing suitable gauge field ansatz, the equation of motion for a vector field is presented. With the help of the Sturm-Liouville equation, concrete values of phase transition temperature and criticaJ frequency are obtained. It is shown that the phase transition temperature enhances as the frequency of the time-dependent source raises in high frequency regime, which means that the operators on the boundary field theory will be easier to condense.展开更多
基金Supported by the National Natural Science Foundation of China (20977046, 20737001).
文摘The gas phase thermodynamic properties of 135 polychlorinated xanthones(PCXTs)are calculated using a combination of quantum mechanical computations performed with the Gaussian 03 program at the B3LYP/6-311G**level.It is found that the chlorine substitution pattern strongly influences the thermodynamic properties of the compounds.The thermodynamic properties of congeners with the same number of chlorines also depend on the chlorine substitution pattern,especially for ortho-substituted congeners.PCXT congeners with one phenyl ring fully chlorinated are found to be the least stable among the analogues.The effect of the chlorine substitution pattern is quantitatively studied by considering the number and position of Cl atom substitution(NPCS).The results show that the NPCS model may be used to predict the thermodynamic properties for all 135 PCXT congeners. In addition,the values of molar heat capacities at constant pressure(cp,m)from 200 to 1000 K for PCXT congeners are calculated,and the temperature dependence relation of this parameter is obtained using the least-squares method.
基金supported by the National Natural Science Foundation of China(U2001214)the Natural Science Foundation of Guangdong Province(2019B1515120050)the Fundamental Research Funds for the Central Universities。
文摘Zero-dimensional metal halide perovskites have captured intense research interest owing to their unique optoelectronic properties.Particularly,metal halides with the ns^(2) electronic configuration are of great interest owing to the high-temperature sensitivity of their photoluminescence,which could be applied to remote optical thermometry(ROT).Herein,all-inorganic and lead-free halide perovskite Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O single crystals(SCs)were prepared through the hydrothermal method and showed a strong temperature dependence of photoluminescence lifetime.Upon Te^(4+) doping,the nonemissive Cs_(2)InCl_(5)·H_(2)O SC exhibits a bright orange emission at 660 nm with a wide full width at half maximum of 180 nm.The strong phonon-exciton coupling promotes the formation of self-trapped excitons in the soft lattice of the zero-dimensional Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O SC.The Te^(4+) ions with the 5 s^(2) electronic configuration endow the Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O SC with a strong temperaturedependent photoluminescence lifetime.This SC reaches a maximum specific sensitivity of 0.062 K^(-1) at 320 K,thereby showing the potential advantages of indium-based metal halide perovskites in ROT applications.
基金Project supported by China Postdoctoral Science Foundation (No.2002031224) the Science Foundation of Southeast University (No. 9207011148).
文摘Consider a backward heat equation in a bounded domain Ω (?) R2 with the noisy data in the initial time geometry. The aim is to find the temperature for 0 < ε < t < T. For this ill-posed problem, the authors give a continuous dependence estimate of the solution. Moreover, the convergence rate of the approximate solution is also given.
基金supported by National Natural Science Foundation of China(Grant No.11572227)
文摘In this paper,the mechanical degradation of natural fiber composites is studied with the consideration of the relative humidity and the temperature.A nonlinear constitutive model is established,which employs an internal variable to describe the mechanical degradation related to the energy dissipation during moisture absorption.The existing experimental researches demonstrated that the mechanical degradation is an irreversible thermodynamic process induced by the degradation of fibers and the damages of interfaces between fiber and matrix,both of which depend on the variation of the relative humidity or the temperature.The evolution of the mechanical degradation is obtained through the determination of dissipation rates as a function of the relative humidity and the temperature.The theoretically predicted mechanical degradations are compared with experimental results of sisal fiber reinforced composites subject to different relative humidity and temperatures,and a good agreement is found.
基金supported by the Major State Basic Research Development Program of China(Grant No.2013CB922300&2011CB922200)the National Natural Science Foundation of China(Grant Nos.11374097,61376129&61504156)+1 种基金the Projects of Science and Technology Commission of Shanghai Municipality(Grant Nos.15JC1401600,14XD1401500,13JC1402100&13JC1404200)the Program for Professor of Special Appointment(Eastern Scholar)at Shanghai Institutions of Higher Learning
文摘As relaxor ferroelectric functional materials, their crystal structures depend on temperature, component, electric filed, pressure, and so on, which are important for the applications of sensors, transducers, and actuators. For the case of PbTiO3-based ferroelectrics Pb(Zn2/3Nb2/3)O3-PbTiO3, Pb(Mg1/3Nb2/3)O3-PbTiO3, Pb(In1/2Nb1/2)O3-Pb(Mgu3Nb2/3)O3-PbTiO3 and some other crystals, they have been extensively investigated due to the excellent electromechanical and piezoelectric properties. Generally, ferroelectric crystal structure and corresponding phase diagram are detected by temperature-dependent high resolution X-ray diffraction, low frequency dielectric permittivity, and domain structures. In this review, we focus on the novel condensed matter spectroscopy (i.e., spectroscopic ellipsometry, transmittance, photoluminescence spectra as well as Raman spectra), which is nondestructive, noncontact, and sensitive optical techniques for probing symmetries, phase transitions and phase diagrams of ferroelectric crystals. Besides, it can supply some other physical and chemical information for ferroelectric and semiconductor functional materials such as optical band gap, electronic transitions, dielectric functions, optical conductivity, absorption, pho- non modes, lattice dynamics as functions of temperature and PT composition.
基金Supported by the National Natural Science Foundation of China under Grant Nos. 10773002,10875012,and 11175019supported by the Fundamental Research Funds for the Central Universities under Grant No. 105116
文摘Using classical time-average approximation, critical temperature and condensed solution in holographic pwave superconductors with a time-dependent source is investigated in probe limit. By choosing suitable gauge field ansatz, the equation of motion for a vector field is presented. With the help of the Sturm-Liouville equation, concrete values of phase transition temperature and criticaJ frequency are obtained. It is shown that the phase transition temperature enhances as the frequency of the time-dependent source raises in high frequency regime, which means that the operators on the boundary field theory will be easier to condense.