In this study,a new Dy-Eu-Tm co-doped cubic phase stabilized bismuth oxide solid electrolyte system was synthesized by using solid-state reaction method in atmospheric conditions.Before conductivity measurements,X-ray...In this study,a new Dy-Eu-Tm co-doped cubic phase stabilized bismuth oxide solid electrolyte system was synthesized by using solid-state reaction method in atmospheric conditions.Before conductivity measurements,X-ray diffraction(XRD)pro files of the annealed samples show that created mixtures have heterogeneous phase,but after conductivity measurements,the face-centered cubic(FCC)crystal structure is stabilized for all samples.Also,the increase in total dopant rate causes an increase in full width half maxima(FWHM)of main peak(111)on the XRD pattern while average crystal size decreases with it.On the other hand,the highest conductivity value was obtained for the sample having 15%total dopant rate with 0.62 S/cm at 750℃,whose dopants are evenly distributed in mole percent.Differential thermal analysis(DTA)results of the samples having 1:1:1 and 1:2:1 dopant content ratios show that endothermic peak occurs on their DTA curve,indicating crystal structure transformation such as phase transition or order-disorder transition.Also,thermo-gravimetric analysis(TGA)depending on temperature was evaluated in terms of mass loss.According to TGA curves,mass loss for both heating and cooling process can be negligible due to the small fluctuations(2%)on their TGA curves.展开更多
Aiming at the difficult problem of solving the conformation statistics of complex polymers, this study presents a novel and concise conformation statistics theoretical approach based on Monte Carlo and Neural Network ...Aiming at the difficult problem of solving the conformation statistics of complex polymers, this study presents a novel and concise conformation statistics theoretical approach based on Monte Carlo and Neural Network method. This method offers a new research idea for investigating the conformation statistics of complex polymers, characterized by its simplicity and practicality. It can be applied to more complex topological structure, more higher degree of freedom polymer systems with higher dimensions, theory research on dynamic self-consistent field theory and polymer field theory, as well as the analysis of scattering experimental data. The conformation statistics of complex polymers determine the structure and response properties of the system. Using the new method proposed in this study, taking the semiflexible ring diblock copolymer as an example, Monte Carlo simulation is used to sample this ring conformation to construct the dataset of polymer. The structure factor describing conformation statistics are expressed as continuous functions of structure parameters by neural network supervised learning. This is the innovation of this work. As an application, the structure factors represented by neural networks were introduced into the random phase approximation theory to study the microphase separation of semiflexible ring diblock copolymers. The influence of the ring's topological properties on the phase transition behavior was pointed out.展开更多
As an example of the La-Mg-Y system, the method how to set up the themaodynamic model of individual phases was introduced in the process of thermodynamic optimization. The solution phases （liquid, body-centered cubic...As an example of the La-Mg-Y system, the method how to set up the themaodynamic model of individual phases was introduced in the process of thermodynamic optimization. The solution phases （liquid, body-centered cubic, face-centered cubic, hexagonal close-packed and double hexagonal close-packed） were modeled with the Redlich-Kister equation. The compound energy model has been used to describe the thermodynamic functions of the intermetallic compounds in the La-Mg-Y systems. The compounds Mg2Y, Mg24Y5, Mg12La, Mg17La2, Mg41Las, Mg3La and Mg2La in the La-Mg-Y system were treated as the formulae （Mg,Y）2（La,Mg,Y）, Mg24（La,Mg,Y）4Y, Mg12（La, Y）, Mg17（La,Y）2, Mg41（La,Y）5, Mg3（La,Mg,Y） and Mg2（La, Y）, respectively. A model （La, Mg,Y）0.5（La,Mg,Y）0.5 was applied to describe the compound MgM formed by MgLa and MgY in order to cope with the order-disorder transition between body-centered cubic solution （A2） and MgM with CsCl-type structure （B2） in the La-Mg-Y system. The Gibbs energies of individual phases were optimized in the La-Mg, La-Y and La-Mg-Y systems by CALPHAD technique. The projection of the liquidus surfaces for the La-Mg-Y system was predicted. The Mg-based alloys database including 36 binary and 15 ternary systems formed by Mg, Al, Cu, Ni, Mn, Zn and rare earth elements was set up in SGTE standard.展开更多
The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put...The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put on the thermodynamic description of the two intermetallic compounds Fe2Ti and FeTi. The C14_Laves phase Fe2Ti was described by the two-sublattice model, which is widely used at present. By checking the homogeneity range on the boundary of the ternary systems involving the binary, the phase boundary of this compound was further confirmed. The FeTi phase with a BCC_B2 crystal structure was treated as the ordered phase of the BCC_A2 phase and a unified Gibbs energy function was used to describe both the ordered and disordered phases. Reproduction of the specific heat capacities of these compounds was another aspect paid particular attention to. Comprehensive comparisons of the calculated and experimental results regarding the phase diagram and thermodynamic properties show a good agreement between them and prove the validity of the present thermodynamic description.展开更多
L10 FePt nanocomposite with high magnetocrystalline anisotropy energy has been extensively investigated in the fields of ultra-high density magnetic recording media. However, the order-disorder transition temperature ...L10 FePt nanocomposite with high magnetocrystalline anisotropy energy has been extensively investigated in the fields of ultra-high density magnetic recording media. However, the order-disorder transition temperature of the nanocom- posite is higher than 600 ℃, which is a disadvantage for the use of the material due to the sustained growth of FePt grain under the temperature. To address the problem, addition of Ag atoms has been proposed, but the magnetic properties of the doped system are still unclear so far. Here in this paper, we use first-principles method to study the lattice parameters, formation energy, electronic structure, atomic magnetic moment and order-disorder transition temperature of L 10 FePt with Ag atom doping. The results show that the formation energy of a Ag atom substituting for a Pt site is 1.309 eV, which is lower than that of substituting for an Fe site 1.346 eV. The formation energy of substituting for the two nearest Pt sites is 2.560 eV lower than that of substituting for the further sites 2.621 eV, which indicates that Ag dopants tend to segregate L10 FePt. The special quasirandom structures （SQSs） for the pure FePt and the FePt doped with two Ag atoms at the stable Pt sites show that the order-disorder transition temperatures are 1377 ℃ and 600 ℃, respectively, suggesting that the transition temperature can be reduced with Ag atom, and therefore the FePt grain growth is suppressed. The satura- tion magnetizations of the pure FePt and the two Ag atoms doped FePt are 1083 emu/cc and 1062 emu/cc, respectively, indicating that the magnetic property of the doped system is almost unchanged.展开更多
The order–disorder transition(ODT)of A_(2)B_(2)O_(7)compounds obtained enormous attention owing to the potential application for thermal barrier coating(TBC)design.In this work,the influence of ODT on the mechanical ...The order–disorder transition(ODT)of A_(2)B_(2)O_(7)compounds obtained enormous attention owing to the potential application for thermal barrier coating(TBC)design.In this work,the influence of ODT on the mechanical and thermophysical properties of dual-phase A_(2)B_(2)O_(7)high-entropy ceramics was investigated by substituting Ce^(4+)and Hf^(4+)with different ionic radii on B-sites(Zr^(4+)).The X-ray diffraction(XRD),Raman,and transmission electron microscopy(TEM)results show that rA3+/rB^(4+)=1.47 is the critical value of ODT phase boundary with different doping B-site ion contents,and the energy dispersive spectroscopy(EDS)results further indicate the uniform distribution of elements.Interestingly,owing to the high intrinsic disorder derived from high-entropy effect,the A_(2)B_(2)O_(7)high-entropy ceramics exhibit unreduced modulus(E0≈230 GPa)and enhanced mechanical properties(HV≈10 GPa,KIC≈2.3 MPa·m^(0.5)).A_(2)B_(2)O_(7)high-entropy ceramics exhibit excellent thermal stability with relatively high thermal expansion coefficients(TECs)(Hf_(0.25),11.20×10-6 K-1,1000℃).Moreover,the matching calculation implied that the ODT further enhances the phonon scattering coefficient,leading to a relatively lower thermal conductivity of(La_(0.25)Eu_(0.25)Gd_(0.25)Yb_(0.25))2(Zr_(0.85)Ce_(0.15))_(2)O_(7)(1.48–1.51 W/(m·K),100–500℃)compared with other components.This present work provides a novel composition design principle for high-entropy ceramics,as well as a material selection rule for high-temperature insulation applications.展开更多
金铜合金作为金基合金钎焊料在电子工业电真空器件的焊接中发挥关键作用。本文采用真空感应熔炼方法制备金铜合金铸锭,通过冷轧使铸锭发生塑性变形,并结合后续的不同热处理工艺,研究了大变形量（－90%）的金铜合金在不同热处理条件下的...金铜合金作为金基合金钎焊料在电子工业电真空器件的焊接中发挥关键作用。本文采用真空感应熔炼方法制备金铜合金铸锭,通过冷轧使铸锭发生塑性变形,并结合后续的不同热处理工艺,研究了大变形量（－90%）的金铜合金在不同热处理条件下的固态相转变过程;采用光学显微镜（OM）、扫描电镜（SEM）对微观组织进行观察,发现冷变形金铜合金在673－723 K温度范围发生回复,在748－923 K发生再结晶,在923 K以上出现再结晶晶粒长大现象;随后,采用差示扫描量热法（DSC）研究了再结晶组织在连续升温-降温过程中的相转变,即升温过程中发生无序相→Au Cu I→Au Cu II→无序相的转变;而降温过程仅发生了无序相→Au Cu I相的直接转变。利用X射线衍射仪（XRD）发现再结晶组织为金的固熔体结构,而在无序-有序相Au Cu I的转变温度区间,其快淬组织为四方结构的Au Cu I结构;随后,采用高分辨透射电镜（HRTEM）观察证实了此结构,且认为该合金在临界温度以下确实存在有序相的转变。展开更多
Multifunctional lead-free double perovskites demonstrate remarkable potential towards applications in various fields.Herein,an environmentally-friendly,low-cost,high-throughput Cs_(2)NaFeCl_(6) single crystal with exc...Multifunctional lead-free double perovskites demonstrate remarkable potential towards applications in various fields.Herein,an environmentally-friendly,low-cost,high-throughput Cs_(2)NaFeCl_(6) single crystal with exceedingly high thermal stability is designed and grown.It obtains a cubic lattice system in the temperature range of 80-500 K,accompanied by a completely reversible chromatic variation ranging from yellow to black.Importantly,the intriguing thermochromism is proved to own extremely high reproducibility(over 1000 cycles)without a hysteretic effect,originating from its structural flexibility that including(i)the noteworthy distortion/deformation of[NaCl_(6)]5−and[FeCl_(6)]3−octahedra;(ii)order-disorder arrangement transition of[NaCl_(6)]5−and[FeCl6]3−octahedra as the function of temperature.This study paves the way towards a new class of smart windows and camouflage coatings with an unprecedented colour range based on a Cs_(2)NaFeCl_(6) perovskite.展开更多
An overview is presented on the order-disorder structural transitions and the dielectric mechanism in the complex-perovskite type relaxor ferroelectrics, i.e., the relaxors. Emphasis is put on the theoretical understa...An overview is presented on the order-disorder structural transitions and the dielectric mechanism in the complex-perovskite type relaxor ferroelectrics, i.e., the relaxors. Emphasis is put on the theoretical understanding of the structural transitions, the macroscopic dielectric properties, and the relationship between them. The influences of the composition, the temperature, and the atomic interactions on the order-disorder microstructures can be well understood in the cluster-variation-method calculations. The criterion drawn from theoretical analysis is successful in predicting the order-disorder structure of relaxors. Among various physical models about relaxors, the dipole glassy model that described the dielectric response as the thermally activated flips of the local spontaneous polarization under random interactions is discussed in details. The Monte Carlo simulation results of this model are consistent with the linear and nonlinear experiments of relaxors.展开更多
To understand and control the interfacial properties of polydiacetylenes(PDAs)vesicles withπ-conjugated backbone is very important for their colorimetric sensing of chemical and biological targets.In this work,we ado...To understand and control the interfacial properties of polydiacetylenes(PDAs)vesicles withπ-conjugated backbone is very important for their colorimetric sensing of chemical and biological targets.In this work,we adopted 10,12-pentacosadiynoic acid(PCDA)as the model molecule to prepare PDAs vesicles in aqueous solution with different forms(from monomer to blue-to-purple-to-red phase)by controlling the UV irradiation dose.The variations of the interfacial conformation of PDAs vesicles during chromatic transitions were inspected by the adsorption behaviors of probe molecules(4-(4-diethylaminostyry)-1-methylpyridinium iodide,D289)on vesicle surface with surface-specific second harmonic generation(SHG)and zeta potential measurements.Resonant SHG signal from D289 adsorbed on vesicle surface attenuated sharply,and the adsorption free energy as well as the corresponding two-photon fluorescence signal decreased slightly in chromatic transitions.While,the change in the surface density of the adsorbed D289 molecules for PDAs vesicles with different forms was relatively small as estimated from zeta potential measurements.The attenuation of the SHG intensity was thus attributed to the overall order-disorder transition and the changed orientation of D289 molecules caused by the gradual distortion of carboxyl head group driven by backbone perturbation.展开更多
文摘In this study,a new Dy-Eu-Tm co-doped cubic phase stabilized bismuth oxide solid electrolyte system was synthesized by using solid-state reaction method in atmospheric conditions.Before conductivity measurements,X-ray diffraction(XRD)pro files of the annealed samples show that created mixtures have heterogeneous phase,but after conductivity measurements,the face-centered cubic(FCC)crystal structure is stabilized for all samples.Also,the increase in total dopant rate causes an increase in full width half maxima(FWHM)of main peak(111)on the XRD pattern while average crystal size decreases with it.On the other hand,the highest conductivity value was obtained for the sample having 15%total dopant rate with 0.62 S/cm at 750℃,whose dopants are evenly distributed in mole percent.Differential thermal analysis(DTA)results of the samples having 1:1:1 and 1:2:1 dopant content ratios show that endothermic peak occurs on their DTA curve,indicating crystal structure transformation such as phase transition or order-disorder transition.Also,thermo-gravimetric analysis(TGA)depending on temperature was evaluated in terms of mass loss.According to TGA curves,mass loss for both heating and cooling process can be negligible due to the small fluctuations(2%)on their TGA curves.
基金financially supported by the National Natural Science Foundation of China (No. 22173004)。
文摘Aiming at the difficult problem of solving the conformation statistics of complex polymers, this study presents a novel and concise conformation statistics theoretical approach based on Monte Carlo and Neural Network method. This method offers a new research idea for investigating the conformation statistics of complex polymers, characterized by its simplicity and practicality. It can be applied to more complex topological structure, more higher degree of freedom polymer systems with higher dimensions, theory research on dynamic self-consistent field theory and polymer field theory, as well as the analysis of scattering experimental data. The conformation statistics of complex polymers determine the structure and response properties of the system. Using the new method proposed in this study, taking the semiflexible ring diblock copolymer as an example, Monte Carlo simulation is used to sample this ring conformation to construct the dataset of polymer. The structure factor describing conformation statistics are expressed as continuous functions of structure parameters by neural network supervised learning. This is the innovation of this work. As an application, the structure factors represented by neural networks were introduced into the random phase approximation theory to study the microphase separation of semiflexible ring diblock copolymers. The influence of the ring's topological properties on the phase transition behavior was pointed out.
基金This work was financially supported by the National Natural Science Foundation of China (Nos. 50471095 and 50271008).
文摘As an example of the La-Mg-Y system, the method how to set up the themaodynamic model of individual phases was introduced in the process of thermodynamic optimization. The solution phases （liquid, body-centered cubic, face-centered cubic, hexagonal close-packed and double hexagonal close-packed） were modeled with the Redlich-Kister equation. The compound energy model has been used to describe the thermodynamic functions of the intermetallic compounds in the La-Mg-Y systems. The compounds Mg2Y, Mg24Y5, Mg12La, Mg17La2, Mg41Las, Mg3La and Mg2La in the La-Mg-Y system were treated as the formulae （Mg,Y）2（La,Mg,Y）, Mg24（La,Mg,Y）4Y, Mg12（La, Y）, Mg17（La,Y）2, Mg41（La,Y）5, Mg3（La,Mg,Y） and Mg2（La, Y）, respectively. A model （La, Mg,Y）0.5（La,Mg,Y）0.5 was applied to describe the compound MgM formed by MgLa and MgY in order to cope with the order-disorder transition between body-centered cubic solution （A2） and MgM with CsCl-type structure （B2） in the La-Mg-Y system. The Gibbs energies of individual phases were optimized in the La-Mg, La-Y and La-Mg-Y systems by CALPHAD technique. The projection of the liquidus surfaces for the La-Mg-Y system was predicted. The Mg-based alloys database including 36 binary and 15 ternary systems formed by Mg, Al, Cu, Ni, Mn, Zn and rare earth elements was set up in SGTE standard.
基金Project (IP08-092009) supported by Sino Swiss Science and Technology Cooperation (SSSTC)Project (50971136) supported by the National Natural Science Foundation of ChinaProject (1343-71134001013) supported by the Scholarship Award for Excellent Doctoral Student granted by Ministry of Education of China
文摘The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put on the thermodynamic description of the two intermetallic compounds Fe2Ti and FeTi. The C14_Laves phase Fe2Ti was described by the two-sublattice model, which is widely used at present. By checking the homogeneity range on the boundary of the ternary systems involving the binary, the phase boundary of this compound was further confirmed. The FeTi phase with a BCC_B2 crystal structure was treated as the ordered phase of the BCC_A2 phase and a unified Gibbs energy function was used to describe both the ordered and disordered phases. Reproduction of the specific heat capacities of these compounds was another aspect paid particular attention to. Comprehensive comparisons of the calculated and experimental results regarding the phase diagram and thermodynamic properties show a good agreement between them and prove the validity of the present thermodynamic description.
基金supported by the National Natural Science Foundation of China(Grant Nos.11274033 and 61227902)the Research Fund for the Doctoral Programof Higher Education of China(Grant No.20131102130005)
文摘L10 FePt nanocomposite with high magnetocrystalline anisotropy energy has been extensively investigated in the fields of ultra-high density magnetic recording media. However, the order-disorder transition temperature of the nanocom- posite is higher than 600 ℃, which is a disadvantage for the use of the material due to the sustained growth of FePt grain under the temperature. To address the problem, addition of Ag atoms has been proposed, but the magnetic properties of the doped system are still unclear so far. Here in this paper, we use first-principles method to study the lattice parameters, formation energy, electronic structure, atomic magnetic moment and order-disorder transition temperature of L 10 FePt with Ag atom doping. The results show that the formation energy of a Ag atom substituting for a Pt site is 1.309 eV, which is lower than that of substituting for an Fe site 1.346 eV. The formation energy of substituting for the two nearest Pt sites is 2.560 eV lower than that of substituting for the further sites 2.621 eV, which indicates that Ag dopants tend to segregate L10 FePt. The special quasirandom structures （SQSs） for the pure FePt and the FePt doped with two Ag atoms at the stable Pt sites show that the order-disorder transition temperatures are 1377 ℃ and 600 ℃, respectively, suggesting that the transition temperature can be reduced with Ag atom, and therefore the FePt grain growth is suppressed. The satura- tion magnetizations of the pure FePt and the two Ag atoms doped FePt are 1083 emu/cc and 1062 emu/cc, respectively, indicating that the magnetic property of the doped system is almost unchanged.
基金This work was supported by the National Natural Science Foundation of China(No.52072301)State Key Laboratory of New Ceramics and Fine Processing Tsinghua University(No.KFZD202102)+3 种基金State Key Laboratory of Solidification Processing(NPU)(No.2021-TS-08)the China–Poland International Collaboration Fund of the National Natural Science Foundation of China(No.51961135301)the Fundamental Research Funds for the Central Universities(No.D5000210722)State Key Laboratory of Materials Processing and Die&Mould Technology,Huazhong University of Science and Technology(No.P2020-009)。
文摘The order–disorder transition(ODT)of A_(2)B_(2)O_(7)compounds obtained enormous attention owing to the potential application for thermal barrier coating(TBC)design.In this work,the influence of ODT on the mechanical and thermophysical properties of dual-phase A_(2)B_(2)O_(7)high-entropy ceramics was investigated by substituting Ce^(4+)and Hf^(4+)with different ionic radii on B-sites(Zr^(4+)).The X-ray diffraction(XRD),Raman,and transmission electron microscopy(TEM)results show that rA3+/rB^(4+)=1.47 is the critical value of ODT phase boundary with different doping B-site ion contents,and the energy dispersive spectroscopy(EDS)results further indicate the uniform distribution of elements.Interestingly,owing to the high intrinsic disorder derived from high-entropy effect,the A_(2)B_(2)O_(7)high-entropy ceramics exhibit unreduced modulus(E0≈230 GPa)and enhanced mechanical properties(HV≈10 GPa,KIC≈2.3 MPa·m^(0.5)).A_(2)B_(2)O_(7)high-entropy ceramics exhibit excellent thermal stability with relatively high thermal expansion coefficients(TECs)(Hf_(0.25),11.20×10-6 K-1,1000℃).Moreover,the matching calculation implied that the ODT further enhances the phonon scattering coefficient,leading to a relatively lower thermal conductivity of(La_(0.25)Eu_(0.25)Gd_(0.25)Yb_(0.25))2(Zr_(0.85)Ce_(0.15))_(2)O_(7)(1.48–1.51 W/(m·K),100–500℃)compared with other components.This present work provides a novel composition design principle for high-entropy ceramics,as well as a material selection rule for high-temperature insulation applications.
文摘金铜合金作为金基合金钎焊料在电子工业电真空器件的焊接中发挥关键作用。本文采用真空感应熔炼方法制备金铜合金铸锭,通过冷轧使铸锭发生塑性变形,并结合后续的不同热处理工艺,研究了大变形量（－90%）的金铜合金在不同热处理条件下的固态相转变过程;采用光学显微镜（OM）、扫描电镜（SEM）对微观组织进行观察,发现冷变形金铜合金在673－723 K温度范围发生回复,在748－923 K发生再结晶,在923 K以上出现再结晶晶粒长大现象;随后,采用差示扫描量热法（DSC）研究了再结晶组织在连续升温-降温过程中的相转变,即升温过程中发生无序相→Au Cu I→Au Cu II→无序相的转变;而降温过程仅发生了无序相→Au Cu I相的直接转变。利用X射线衍射仪（XRD）发现再结晶组织为金的固熔体结构,而在无序-有序相Au Cu I的转变温度区间,其快淬组织为四方结构的Au Cu I结构;随后,采用高分辨透射电镜（HRTEM）观察证实了此结构,且认为该合金在临界温度以下确实存在有序相的转变。
基金The research was funded by the National Natural Science Foundation of China(No.51802120,51872126,22075103,51672111)Guangdong Basic and Applied Basic Research Foundation for Distinguished Young Scholar(No.2019B151502030)+7 种基金Natural Science Foundation of Guangdong Province(No.2018030310181)the Science and Technology Plan Project of Guangzhou(No.202002030159)Guangdong Basic and Applied Basic Research Foundation for Young Scholar(No.2020A1515111057)‘100 Talents Program of Hebei Province’(No.E2014100008)the Fundamental Research Funds for the Central Universities(No.21619406)X.Y.thanks for the Special Funds for the Cultivation of Guangdong College Students'Scientific and Technological Innovation("Climbing Program"Special Funds)(No.pdjh2019a0055)J.Fan also thanks for the project support for"Young Top talents"in the Pearl River Talent Project of Guangdong Province(2017GC010424)the Guangdong Provincial Innovation and Entrepreneurship Project(grant 2016ZT06D081).
文摘Multifunctional lead-free double perovskites demonstrate remarkable potential towards applications in various fields.Herein,an environmentally-friendly,low-cost,high-throughput Cs_(2)NaFeCl_(6) single crystal with exceedingly high thermal stability is designed and grown.It obtains a cubic lattice system in the temperature range of 80-500 K,accompanied by a completely reversible chromatic variation ranging from yellow to black.Importantly,the intriguing thermochromism is proved to own extremely high reproducibility(over 1000 cycles)without a hysteretic effect,originating from its structural flexibility that including(i)the noteworthy distortion/deformation of[NaCl_(6)]5−and[FeCl_(6)]3−octahedra;(ii)order-disorder arrangement transition of[NaCl_(6)]5−and[FeCl6]3−octahedra as the function of temperature.This study paves the way towards a new class of smart windows and camouflage coatings with an unprecedented colour range based on a Cs_(2)NaFeCl_(6) perovskite.
基金State Key Program of Basic ResearchDevelopm ent! (No.G2 0 0 0 0 6 710 8) the NationalNatural Science Foundation of Chin
文摘An overview is presented on the order-disorder structural transitions and the dielectric mechanism in the complex-perovskite type relaxor ferroelectrics, i.e., the relaxors. Emphasis is put on the theoretical understanding of the structural transitions, the macroscopic dielectric properties, and the relationship between them. The influences of the composition, the temperature, and the atomic interactions on the order-disorder microstructures can be well understood in the cluster-variation-method calculations. The criterion drawn from theoretical analysis is successful in predicting the order-disorder structure of relaxors. Among various physical models about relaxors, the dipole glassy model that described the dielectric response as the thermally activated flips of the local spontaneous polarization under random interactions is discussed in details. The Monte Carlo simulation results of this model are consistent with the linear and nonlinear experiments of relaxors.
基金This work was supported by the National Natural Science Foundation of China(No.21403292,No.21403293,No.21473249,and No.21673285),and the funding from the Shenzhen city(No.JCYJ20170307150520453).
文摘To understand and control the interfacial properties of polydiacetylenes(PDAs)vesicles withπ-conjugated backbone is very important for their colorimetric sensing of chemical and biological targets.In this work,we adopted 10,12-pentacosadiynoic acid(PCDA)as the model molecule to prepare PDAs vesicles in aqueous solution with different forms(from monomer to blue-to-purple-to-red phase)by controlling the UV irradiation dose.The variations of the interfacial conformation of PDAs vesicles during chromatic transitions were inspected by the adsorption behaviors of probe molecules(4-(4-diethylaminostyry)-1-methylpyridinium iodide,D289)on vesicle surface with surface-specific second harmonic generation(SHG)and zeta potential measurements.Resonant SHG signal from D289 adsorbed on vesicle surface attenuated sharply,and the adsorption free energy as well as the corresponding two-photon fluorescence signal decreased slightly in chromatic transitions.While,the change in the surface density of the adsorbed D289 molecules for PDAs vesicles with different forms was relatively small as estimated from zeta potential measurements.The attenuation of the SHG intensity was thus attributed to the overall order-disorder transition and the changed orientation of D289 molecules caused by the gradual distortion of carboxyl head group driven by backbone perturbation.
