Laser-accelerated high-flux-intensity heavy-ion beams are important for new types of accelerators.A particle-in-cell program(Smilei) is employed to simulate the entire process of Station of Extreme Light(SEL) 100 PW l...Laser-accelerated high-flux-intensity heavy-ion beams are important for new types of accelerators.A particle-in-cell program(Smilei) is employed to simulate the entire process of Station of Extreme Light(SEL) 100 PW laser-accelerated heavy particles using different nanoscale short targets with a thickness of 100 nm Cr, Fe, Ag, Ta, Au, Pb, Th and U, as well as 200 nm thick Al and Ca. An obvious stratification is observed in the simulation. The layering phenomenon is a hybrid acceleration mechanism reflecting target normal sheath acceleration and radiation pressure acceleration, and this phenomenon is understood from the simulated energy spectrum,ionization and spatial electric field distribution. According to the stratification, it is suggested that high-quality heavy-ion beams could be expected for fusion reactions to synthesize superheavy nuclei. Two plasma clusters in the stratification are observed simultaneously, which suggest new techniques for plasma experiments as well as thinner metal targets in the precision machining process.展开更多
The embedded atom method (EAM) was used to study the order-disorder transformation in gamma -TiAl alloy with L1(0). structure at stoichiometrical composition, and the effect of lattice constants was also investigated....The embedded atom method (EAM) was used to study the order-disorder transformation in gamma -TiAl alloy with L1(0). structure at stoichiometrical composition, and the effect of lattice constants was also investigated. It was found that the gamma -TiAl alloy at stoichiometrical composition exhibits a second-order transition, and the relations between lattice constants a, c and the long-range order sigma are not linear. The lattice constant a decreases whereas c increases with the increase of the long-range order parameter. In this case the ordering induces the transformation from cubic to tetragonal. The change of the lattice constant during the ordering processes can be interpreted in terms of bond length.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
Despite the enormous interest in inorganic/polymer composite solid-state electrolytes(CSEs)for solid-state batteries(SSBs),the underlying ion transport phenomena in CSEs have not yet been elucidated.Here,we address th...Despite the enormous interest in inorganic/polymer composite solid-state electrolytes(CSEs)for solid-state batteries(SSBs),the underlying ion transport phenomena in CSEs have not yet been elucidated.Here,we address this issue by formulating a mechanistic understanding of bi-percolating ion channels formation and ion conduction across inorganic-polymer electrolyte interfaces in CSEs.A model CSE is composed of argyrodite-type Li_6PS_5Cl(LPSCl)and gel polymer electrolyte(GPE,including Li~+-glyme complex as an ion-conducting medium).The percolation threshold of the LPSCl phase in the CSE strongly depends on the elasticity of the GPE phase.Additionally,manipulating the solvation/desolvation behavior of the Li~+-glyme complex in the GPE facilitates ion conduction across the LPSCl-GPE interface.The resulting scalable CSE(area=8×6(cm×cm),thickness~40μm)can be assembled with a high-mass-loading LiNi_(0.7)Co_(0.15)Mn_(0.15)O_(2)cathode(areal-mass-loading=39 mg cm~(-2))and a graphite anode(negative(N)/positive(P)capacity ratio=1.1)in order to fabricate an SSB full cell with bi-cell configuration.Under this constrained cell condition,the SSB full cell exhibits high volumetric energy density(480 Wh L_(cell)~(-1))and stable cyclability at 25℃,far exceeding the values reported by previous CSE-based SSBs.展开更多
After describing research status of super-structure for Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2,diffraction patterns of Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2 in different order parameters have been researched by Powder-cell pro...After describing research status of super-structure for Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2,diffraction patterns of Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2 in different order parameters have been researched by Powder-cell program,including crystal structure,X-ray and neutron diffraction pattern,anomalous diffraction pattern and comparison of NiCoMn in different positions. The influence of order parameters on intensity of matrix and super-lattice diffraction lines has also been analyzed and the summarization and prospect have been made lastly.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
Based on cluster variation method (CVM) and natural iteration method (MM),order-disorder phase transition in the intercalation compounds M_(1/2)TiS_2 is simulated bycomputer. The favorable conditions, under which 3^(1...Based on cluster variation method (CVM) and natural iteration method (MM),order-disorder phase transition in the intercalation compounds M_(1/2)TiS_2 is simulated bycomputer. The favorable conditions, under which 3^(1/2)a_0 x a_0 superstructure is formed, aregiven, and the results are in good agreement with the experiments and theoretical calculations. Therelationship between critical temperature and M-ion-vacancy interaction parameter is linear.展开更多
Based on pair potential, the Bragg Williams (B-W) model is modified to takeinto account the effect of the lattice parameter on theoretical order-disorder transformationanalysis. The main purpose of this work is to und...Based on pair potential, the Bragg Williams (B-W) model is modified to takeinto account the effect of the lattice parameter on theoretical order-disorder transformationanalysis. The main purpose of this work is to understand the basic aspects of this effect andrelated reasonable model on order-disorder transformation. In the present approach, theconfiguration free energy is chosen as function of the lattice parameter and the long-range order.This energy is calculated through Taylor's expansion, starting from the disordered state. It wasfound that the configuration free energy has been strongly modified when the lattice parameter istaken into account. It was also found only one type of order-disorder transformation exists in ABalloy and three kinds of order-disorder transformations for non-equiatomic alloy system such as A_3Balloy. This result is in agreement with experiments.展开更多
The embedded atom method (EAM) was used to theoretically analyze the effect of the lattice parameter variation on the order-disorder transformation in binary alloys. Based on EAM, it is found that only one kind of ord...The embedded atom method (EAM) was used to theoretically analyze the effect of the lattice parameter variation on the order-disorder transformation in binary alloys. Based on EAM, it is found that only one kind of order-disorder transition (second-order transition) exists for AB alloy. Three groups of order-disorder transformation can be observed for the A(3)B or AB(3) compounds. For group I, the order-disorder is a completely first-order transition. For group II, the order-disorder transformation is a classical first-order transition. For group III, the order-disorder transformation is found to be a second-order transition. The lattice parameter variations have a significant effect on E-2 coefficient, which is related to the ordering energy. These results are in good agreement with experiments.展开更多
基金support from the Strategic Priority Research Program of the Chinese Academy of Sciences (No.XDB34030000)the National Key R & D Program of China (No.2022YFA1602404)+2 种基金National Natural Science Foundation of China (No. U1832129)the Youth Innovation Promotion Association of the Chinese Academy of Sciences (No.2017309)the Program for Innovative Research Team (in Science and Technology) in University of Henan Province of China (No.21IRTSTHN011)。
文摘Laser-accelerated high-flux-intensity heavy-ion beams are important for new types of accelerators.A particle-in-cell program(Smilei) is employed to simulate the entire process of Station of Extreme Light(SEL) 100 PW laser-accelerated heavy particles using different nanoscale short targets with a thickness of 100 nm Cr, Fe, Ag, Ta, Au, Pb, Th and U, as well as 200 nm thick Al and Ca. An obvious stratification is observed in the simulation. The layering phenomenon is a hybrid acceleration mechanism reflecting target normal sheath acceleration and radiation pressure acceleration, and this phenomenon is understood from the simulated energy spectrum,ionization and spatial electric field distribution. According to the stratification, it is suggested that high-quality heavy-ion beams could be expected for fusion reactions to synthesize superheavy nuclei. Two plasma clusters in the stratification are observed simultaneously, which suggest new techniques for plasma experiments as well as thinner metal targets in the precision machining process.
基金This work was financially supported by the National Natural Science Foundation of China under Contract No.59895151-01
文摘The embedded atom method (EAM) was used to study the order-disorder transformation in gamma -TiAl alloy with L1(0). structure at stoichiometrical composition, and the effect of lattice constants was also investigated. It was found that the gamma -TiAl alloy at stoichiometrical composition exhibits a second-order transition, and the relations between lattice constants a, c and the long-range order sigma are not linear. The lattice constant a decreases whereas c increases with the increase of the long-range order parameter. In this case the ordering induces the transformation from cubic to tetragonal. The change of the lattice constant during the ordering processes can be interpreted in terms of bond length.
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the Basic Science Research Program(2018M3D1A1058744,2021R1A5A6002853,2021R1A2B5B03001615,and 2022M3J1A1085397)through the National Research Foundation of Korea(NRF)grant by the Korean Government(MSIT)provided by KISTI(KSC-2020-CRE-0301)supported by the Hyundai NGV program。
文摘Despite the enormous interest in inorganic/polymer composite solid-state electrolytes(CSEs)for solid-state batteries(SSBs),the underlying ion transport phenomena in CSEs have not yet been elucidated.Here,we address this issue by formulating a mechanistic understanding of bi-percolating ion channels formation and ion conduction across inorganic-polymer electrolyte interfaces in CSEs.A model CSE is composed of argyrodite-type Li_6PS_5Cl(LPSCl)and gel polymer electrolyte(GPE,including Li~+-glyme complex as an ion-conducting medium).The percolation threshold of the LPSCl phase in the CSE strongly depends on the elasticity of the GPE phase.Additionally,manipulating the solvation/desolvation behavior of the Li~+-glyme complex in the GPE facilitates ion conduction across the LPSCl-GPE interface.The resulting scalable CSE(area=8×6(cm×cm),thickness~40μm)can be assembled with a high-mass-loading LiNi_(0.7)Co_(0.15)Mn_(0.15)O_(2)cathode(areal-mass-loading=39 mg cm~(-2))and a graphite anode(negative(N)/positive(P)capacity ratio=1.1)in order to fabricate an SSB full cell with bi-cell configuration.Under this constrained cell condition,the SSB full cell exhibits high volumetric energy density(480 Wh L_(cell)~(-1))and stable cyclability at 25℃,far exceeding the values reported by previous CSE-based SSBs.
基金Sponsored by the National Key Research and Development Program(Grant No.2016YFB0100500)
文摘After describing research status of super-structure for Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2,diffraction patterns of Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2 in different order parameters have been researched by Powder-cell program,including crystal structure,X-ray and neutron diffraction pattern,anomalous diffraction pattern and comparison of NiCoMn in different positions. The influence of order parameters on intensity of matrix and super-lattice diffraction lines has also been analyzed and the summarization and prospect have been made lastly.
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.
基金This work was supported by the Foundation of Civil Aviation University of China (No. 2001-3-18).
文摘Based on cluster variation method (CVM) and natural iteration method (MM),order-disorder phase transition in the intercalation compounds M_(1/2)TiS_2 is simulated bycomputer. The favorable conditions, under which 3^(1/2)a_0 x a_0 superstructure is formed, aregiven, and the results are in good agreement with the experiments and theoretical calculations. Therelationship between critical temperature and M-ion-vacancy interaction parameter is linear.
基金This work was financially supported by the National Natural Science Foundation of China under contract No. 59895151-01.
文摘Based on pair potential, the Bragg Williams (B-W) model is modified to takeinto account the effect of the lattice parameter on theoretical order-disorder transformationanalysis. The main purpose of this work is to understand the basic aspects of this effect andrelated reasonable model on order-disorder transformation. In the present approach, theconfiguration free energy is chosen as function of the lattice parameter and the long-range order.This energy is calculated through Taylor's expansion, starting from the disordered state. It wasfound that the configuration free energy has been strongly modified when the lattice parameter istaken into account. It was also found only one type of order-disorder transformation exists in ABalloy and three kinds of order-disorder transformations for non-equiatomic alloy system such as A_3Balloy. This result is in agreement with experiments.
基金the National Natural Science Foundation of China under contract No. 59895151-01.]
文摘The embedded atom method (EAM) was used to theoretically analyze the effect of the lattice parameter variation on the order-disorder transformation in binary alloys. Based on EAM, it is found that only one kind of order-disorder transition (second-order transition) exists for AB alloy. Three groups of order-disorder transformation can be observed for the A(3)B or AB(3) compounds. For group I, the order-disorder is a completely first-order transition. For group II, the order-disorder transformation is a classical first-order transition. For group III, the order-disorder transformation is found to be a second-order transition. The lattice parameter variations have a significant effect on E-2 coefficient, which is related to the ordering energy. These results are in good agreement with experiments.
