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Phase diagram and quench dynamics of a periodically drivenHaldane model
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作者 Minxuan Ren Han Yang Mingyuan Sun 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第9期317-325,共9页
We investigate a periodically driven Haldane model subjected to a two-stage driving scheme in the form of a step function.By using the Floquet theory,we obtain the topological phase diagram of the system.We also find ... We investigate a periodically driven Haldane model subjected to a two-stage driving scheme in the form of a step function.By using the Floquet theory,we obtain the topological phase diagram of the system.We also find that anomalous Floquet topological phases exist in the system.Focusing on examining the quench dynamics among topological phases,we analyze the site distribution of the 0-mode and p-mode edge states in long-period evolution after a quench.The results demonstrate that,under certain conditions,the site distribution of the 0-mode can be confined at the edge even in long-period evolution.Additionally,both the 0-mode and p-mode can recover and become confined at the edge in long-period evolution when the post-quench parameters(T,M_(2) /M_(1))in the phase diagram cross away from the phase boundary (M_(2)/ M_(1))=(6√3t2)/ M_(1)−1.Furthermore,we conclude that whether the edge state is confined at the edge in the long-period evolution after a quench depends on the similarity of the edge states before and after the quench.Our findings reveal some new characteristics of quench dynamics in a periodically driven system. 展开更多
关键词 Floquet system Haldane model quench dynamics topological phase diagram
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Properties of the phase diagram from the Nambu-Jona-Lasino model with a scalar-vector interaction
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作者 Yong-Hang Yang He Liu Peng-Cheng Chu 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第10期168-179,共12页
We investigated the properties of the phase diagram of high-order susceptibilities,speed of sound,and polytropic index based on an extended Nambu-Jona-Lasinio model with an eight-quark scalar-vector interaction.Non-mo... We investigated the properties of the phase diagram of high-order susceptibilities,speed of sound,and polytropic index based on an extended Nambu-Jona-Lasinio model with an eight-quark scalar-vector interaction.Non-monotonic behavior was observed in all these quantities around the phase transition boundary,which also revealed the properties of the critical point.Further,this study indicated that the chiral phase transition boundary and critical point could vary depending on the scalarvector coupling constant G_(SV).At finite densities and temperatures,the negative G_(SV)term exhibited attractive interactions,which enhanced the critical point temperature and reduced the chemical potential.The G_(SV)term also affected the properties of the high-order susceptibilities,speed of sound,and polytropic index near the critical point.The non-monotonic(peak or dip)structures of these quantities shifted to a low baryon chemical potential(and high temperature)with a negative G_(SV).G_(SV)also changed the amplitude and range of the nonmonotonic regions.Therefore,the scalar-vector interaction was useful for locating the phase boundary and critical point in QCD phase diagram by comparing the experimental data.The study of the non-monotonic behavior of high-order susceptibilities,speed of sound,and polytropic index is of great interest,and further observations related to high-order susceptibilities,speed of sound,and polytropic index being found and applied to the search for critical points in heavy-ion collisions and the study of compact stars are eagerly awaited. 展开更多
关键词 QCD phase diagram High-order susceptibilities Speed of sound Polytropic index NJL model
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Recension of boron nitride phase diagram based on high-pressure and high-temperature experiments
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作者 Ruike Zhang Ruiang Guo +3 位作者 Qian Li Shuaiqi Li Haidong Long Duanwei He 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第10期450-457,共8页
Cubic boron nitride and hexagonal boron nitride are the two predominant crystalline structures of boron nitride.They can interconvert under varying pressure and temperature conditions.However,this transformation requi... Cubic boron nitride and hexagonal boron nitride are the two predominant crystalline structures of boron nitride.They can interconvert under varying pressure and temperature conditions.However,this transformation requires overcoming significant potential barriers in dynamics,which poses great difficulty in determining the c-BN/h-BN phase boundary.This study used high-pressure in situ differential thermal measurements to ascertain the temperature of h-BN/c-BN conversion within the commonly used pressure range(3-6 GPa)for the industrial synthesis of c-BN to constrain the P-T phase boundary of h-BN/c-BN in the pressure-temperature range as much as possible.Based on the analysis of the experimental data,it is determined that the relationship between pressure and temperature conforms to the following equation:P=a+1/bT.Here,P denotes the pressure(GPa)and T is the temperature(K).The coefficients are a=-3.8±0.8 GPa and b=229.8±17.1 GPa/K.These findings call into question existing high-pressure and high-temperature phase diagrams of boron nitride,which seem to overstate the phase boundary temperature between c-BN and h-BN.The BN phase diagram obtained from this study can provide critical temperature and pressure condition guidance for the industrial synthesis of c-BN,thus optimizing synthesis efficiency and product performance. 展开更多
关键词 hexagonal boron nitride phase diagram high temperature and high pressure cubic boron nitride phase transition differential thermal analysis
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Calculation of electric field–temperature (E, T) phase diagram of a ferroelectric liquid crystal near the SmA–SmC_α~* transition 被引量:1
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作者 F Trabelsi H Dhaouadi +1 位作者 O Riahi T Othman 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第3期444-450,共7页
In this work we perform a theoretical calculation in order to reconstitute the (E-T) phase diagram of a chiral smectic liquid crystal in the vicinity of the SmA-SmCα* transition. This reconstruction is carried out... In this work we perform a theoretical calculation in order to reconstitute the (E-T) phase diagram of a chiral smectic liquid crystal in the vicinity of the SmA-SmCα* transition. This reconstruction is carried out on the basis of a thermo-dynamic calculation of the slope of the curve joining the SmC* domain and the unwound SmC*. An empiric correction of the mean field term of Landau De-Gennes development is necessary to accomplish this reconstruction. Thereafter, an experimental validation is performed to verify our calculations. 展开更多
关键词 field-temperature phase diagram liquid orystal
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Magnetic hysteresis, compensation behaviors, and phase diagrams of bilayer honeycomb lattices
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作者 Ersin Kantar 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第10期453-459,共7页
Magnetic behaviors of the Ising system with bilayer honeycomb lattice(BHL) structure are studied by using the effective-field theory(EFT) with correlations. The effects of the interaction parameters on the magneti... Magnetic behaviors of the Ising system with bilayer honeycomb lattice(BHL) structure are studied by using the effective-field theory(EFT) with correlations. The effects of the interaction parameters on the magnetic properties of the system such as the hysteresis and compensation behaviors as well as phase diagrams are investigated. Moreover, when the hysteresis behaviors of the system are examined, single and double hysteresis loops are observed for various values of the interaction parameters. We obtain the L-, Q-, P-, and S-type compensation behaviors in the system. We also observe that the phase diagrams only exhibit the second-order phase transition. Hence, the system does not show the tricritical point(TCP). 展开更多
关键词 bilayer honeycomb lattices effective-field theory magnetic hysteresis compensation behavior phase diagram
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Electro-optical properties and(E,F) phase diagram of fluorinated chiral smectic liquid crystals
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作者 R Zgueb H Dhaouadi T Othman 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第10期570-577,共8页
Fluorinated smectic liquid crystals each with a biphenyl benzoate rigid core are investigated. Molecular structures of the studied compounds have difference only in fluorine position and the length of the carbon chain... Fluorinated smectic liquid crystals each with a biphenyl benzoate rigid core are investigated. Molecular structures of the studied compounds have difference only in fluorine position and the length of the carbon chain. Dielectric relaxation study and electro-optical measurements are carried out with the classical SSFLC geometry. The field-induced phase transitions are studied and the(E,T) phase diagram is established. 展开更多
关键词 smectic liquid crystal dielectric relaxation electro-optical properties phase transition (E T)phase diagram
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Pressure-Induced Metallization and Electrical Phase Diagram for Polycrystalline CaB_6 under High Pressure and Low Temperature
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作者 杨洁 焦阳 +1 位作者 韩永昊 李晶 《Chinese Physics Letters》 SCIE CAS CSCD 2016年第8期88-90,共3页
The electrical properties of polycrystaltine CaB6 are revealed by in-situ resistance measurements under high pressure and low temperature. Due to the existence of grain boundaries, polycrystalline CaB6 behaves with se... The electrical properties of polycrystaltine CaB6 are revealed by in-situ resistance measurements under high pressure and low temperature. Due to the existence of grain boundaries, polycrystalline CaB6 behaves with semiconducting transport properties, which is different from the semimetallic CaB6 single crystals. The temperaturedependent resistance measurement results show that before the structural phase transition at 12.3 GPa the high pressure first induces the metallization at 6.5 GPa for CAB6. Moreover, the phase diagram for CaB6 is drawn based on the investigated electric conducting properties and at least three different conducting phases are found even at moderate high pressure and low temperature, indicating that the electric nature of CaB6 is very sensitive to the environment. 展开更多
关键词 for is of Pressure-Induced Metallization and Electrical phase diagram for Polycrystalline CaB6 under High Pressure and Low Temperature in high been that
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Phase diagrams in mixed spin-3/2 and spin-2 Ising system with two alternative layers within the effective-field theory
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作者 Bayram Deviren Yasin Polat Mustafa Keskin 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第6期112-124,共13页
The phase diagrams in the mixed spin-3/2 and spin-2 Ising system with two alternative layers on a honeycomb lattice are investigated and discussed by the use of the effective-field theory with correlations. The intera... The phase diagrams in the mixed spin-3/2 and spin-2 Ising system with two alternative layers on a honeycomb lattice are investigated and discussed by the use of the effective-field theory with correlations. The interaction of the nearest-neighbour spins of each layer is taken to be positive (ferromagnetic interaction) and the interaction of the adjacent spins of the nearest-neighbour layers is considered to be either positive or negative (ferromagnetic or antiferromagnetic interaction). The temperature dependence of the layer magnetizations of the system is examined to characterize the nature (continuous or discontinuous) of the phase transitions and obtain the phase transition temperatures. The system exhibits both second- and first-order phase transitions besides triple point (TP), critical end point (E), multicritical point (A), isolated critical point (C) and reentrant behaviour depending on the interaction parameters. We have also studied the temperature dependence of the total magnetization to find the compensation points, as well as to determine the type of behaviour, and N-type behaviour in Neel classification nomenclature existing in the system. The phase diagrams are constructed in eight different planes and it is found that the system also presents the compensation phenomena depending on the sign of the bilinear exchange interactions. 展开更多
关键词 mixed spin-3/2 and spin-2 Ising system effective-field theory compensation phenomena phase diagrams
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Magnetization and magnetic phase diagrams of a spin-1/2 ferrimagnetic diamond chain at low temperature
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作者 Tai-Min Cheng Mei-Lin Li +4 位作者 Zhi-Rui Cheng Guo-Liang Yu Shu-Sheng Sun Chong-Yuan Ge Xin-Xin Zhang 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第5期630-638,共9页
We used the Jordan-Wigner transform and the invariant eigenoperator method to study the magnetic phase diagram and the magnetization curve of the spin-1/2 alternating ferrimagnetic diamond chain in an external magneti... We used the Jordan-Wigner transform and the invariant eigenoperator method to study the magnetic phase diagram and the magnetization curve of the spin-1/2 alternating ferrimagnetic diamond chain in an external magnetic field at finite temperature.The magnetization versus external magnetic field curve exhibits a 1/3 magnetization plateau at absolute zero and finite temperatures,and the width of the 1/3 magnetization plateau was modulated by tuning the temperature and the exchange interactions.Three critical magnetic field intensities H_(CB),H_(CE)and H_(CS) were obtained,in which the H_(CB) and H_(CE)correspond to the appearance and disappearance of the 1/3 magnetization plateau,respectively,and the higher H_(CS) correspond to the appearance of fully polarized magnetization plateau of the system.The energies of elementary excitation hω_(σ,k)(σ=1,2,3)present the extrema of zero at the three critical magnetic fields at 0 K,i.e.,[hω_(3,k)(H_(CB)]_(min)=0,[hω_(2,k)(H_(CE)]_(max)=0 and[hω_(2,k)(H_(CS)]_(min)=0,and the magnetic phase diagram of magnetic field versus different exchange interactions at 0 K was established by the above relationships.According to the relationships between the system’s magnetization curve at finite temperatures and the critical magnetic field intensities,the magnetic field-temperature phase diagram was drawn.It was observed that if the magnetic phase diagram shows a three-phase critical point,which is intersected by the ferrimagnetic phase,the ferrimagnetic plateau phase,and the Luttinger liquid phase,the disappearance of the 1/3 magnetization plateau would inevitably occur.However,the 1/3 magnetization plateau would not disappear without the three-phase critical point.The appearance of the 1/3 magnetization plateau in the low temperature region is the macroscopic manifestations of quantum effect. 展开更多
关键词 invariant eigen-operator method Jordan-Wigner transformations critical magnetic field intensity magnetic phase diagrams
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Physical properties and phase diagram of NaFe_(1-x)V_(x)As
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作者 Guang-Yang Dai Xin He +5 位作者 Zhi-Wen Li Chang-Ling Zhang Lu-Chuan Shi Run-Ze Yu Xian-Cheng Wang Chang-Qing Jin 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第1期100-103,共4页
We grew a series of NaFe_(1-x)V_(x) As(0 ≤ x ≤ 0.03) single crystals and performed the measurements of resistance,magnetic susceptibility, and specific heat to study the superconducting phase diagram by doping V int... We grew a series of NaFe_(1-x)V_(x) As(0 ≤ x ≤ 0.03) single crystals and performed the measurements of resistance,magnetic susceptibility, and specific heat to study the superconducting phase diagram by doping V into Na Fe As. Both the structural and the spin-density-wave(SDW) transitions are slightly suppressed by V-doping. While superconducting transition temperature is enhanced to the maximum value of 15 K when the optimal doping level x = 0.007 and then is suppressed rapidly with further V-doping, displaying a small superconducting dome. Our results suggest that V-impurities should act as strong magnetic scattering centers which cause the sharp suppression of superconductivity in NaFe_(1-x)V_(x) As. 展开更多
关键词 iron based superconductor "111"type NaFeAs V doping phase diagram
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The Magnetic Anisotropy and Complete Phase Diagram of CuFeO2 Measured in a Pulsed High Magnetic Field up to 75 T
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作者 左华坤 时丽然 +6 位作者 夏正才 黄俊伟 陈柏蓉 金昭 魏蒙 欧阳钟文 成刚 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第4期130-133,共4页
The magnetization behavior of a CuFeO2 single crystal grown by the floating zone technique is investigated with a pulsed high magnetic field. We observe a series of field-induced multi-step-like transitions with hyste... The magnetization behavior of a CuFeO2 single crystal grown by the floating zone technique is investigated with a pulsed high magnetic field. We observe a series of field-induced multi-step-like transitions with hysteresis, of which the critical magnetic fields are temperature-dependent and show anisotropy. By using a pulsed high magnetic field up to 75 T, the magnetization behavior shows that the critical transition magnetic fields of spin- flip/flop shift to lower field regions with an increase in temperature. According to the magnetization curves, a complete magnetic phase diagram is depicted. 展开更多
关键词 The Magnetic Anisotropy and Complete phase diagram of CuFeO2 Measured in a Pulsed High Magnetic Field up to 75 T AFM
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QCD phase diagram with the improved Polyakov loop effective potential
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作者 Guo-Yun Shao Xue-Yan Gao +1 位作者 Zhan-Duo Tang Ning Gao 《Nuclear Science and Techniques》 SCIE CAS CSCD 2016年第6期61-66,共6页
We report our recent progress on the QCD phase structure.We explore the properties of quark–gluon matter in the improved Polyakov–Nambu–Jona–Lasinio(PNJL)model by introducing a chemical potential-dependent Polyako... We report our recent progress on the QCD phase structure.We explore the properties of quark–gluon matter in the improved Polyakov–Nambu–Jona–Lasinio(PNJL)model by introducing a chemical potential-dependent Polyakov loop potential.This treatment effectively reflects the quantum backreaction of matter sector to glue sector at nonzero chemical potential.Compared with the original PNJL model,a superiority of the improved PNJL model is that it can effectively describe the confinement–deconfinement transition at low temperature and high density.And the QCD phase diagram will be modified to a certain degree if the strength of the quantum backreaction of matter sector to glue sector is strong.One evident variation is that the region of quarkyonic phase will be greatly reduced in the improved PNJL model.This means that the modification to the Polyakov loop potential with the chemical potential dependence is possibly a significant improvement in exploring the full QCD phase structure. 展开更多
关键词 QCD 相图 有效势 NJL模型 夸克胶子物质 化学势 相位结构 势模型
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Phase diagrams and magnetic properties of the mixed spin-1 and spin-3/2 Ising ferromagnetic thin film: Monte Carlo treatment
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作者 B Boughazi M Boughrara M Kerouad 《Chinese Physics B》 SCIE EI CAS CSCD 2019年第2期414-419,共6页
Phase diagrams and magnetic properties of the mixed spin-1 and spin-3/2 Ising film with different single-ion anisotropies are investigated, by the use of Monte Carlo simulation based on heat bath algorithms. The effec... Phase diagrams and magnetic properties of the mixed spin-1 and spin-3/2 Ising film with different single-ion anisotropies are investigated, by the use of Monte Carlo simulation based on heat bath algorithms. The effects of the crystal-fields and the surface coupling on the phase diagrams are investigated in detail and the obtained phase diagrams are presented. Depending on the Hamiltonian parameters, the system exhibits both second-and first-order phase transitions besides tricritical point, triple point, and isolated critical end point. 展开更多
关键词 MONTE Carlo simulation thin film phase diagramS MAGNETIC properties
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Partial phase diagram of Pd-Ag-Ru-Gd quaternary system
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作者 张康侯 徐云 《广东有色金属学报》 2005年第2期149-155,共7页
On the basis of the Ag-Pd-Gd, Ag-Ru-Gd and Pd-Ru-Gd ternary systems, the partial phase diagram of Pd-Ag-Ru-Gd(Gd<25% atom fraction) quaternary system has been studied by means of X-ray diffraction analysis, diffe... On the basis of the Ag-Pd-Gd, Ag-Ru-Gd and Pd-Ru-Gd ternary systems, the partial phase diagram of Pd-Ag-Ru-Gd(Gd<25% atom fraction) quaternary system has been studied by means of X-ray diffraction analysis, differential thermal analysis, electron probe microanalysis and optical microscopy. The 700℃ isothermal sections of the Ag-Pd-5Ru-Gd, Ag-Pd-20Ru-Gd and Ag-Pd-50Ru-Gd (Gd≤25% atom fraction) phase diagrams were determined respectively. And the 700℃ isothermal section of the Pd-Ag-Ru-Gd (Gd≤25% atom fraction) quaternary system phase diagram was finally inferred. The section consists of four single-phase regions: solid solution Pd(Ag), (Ru), Pd3Gd and Ag 51 Gd 14 ; five two-phase regions: Pd(Ag)+(Ru), Pd(Ag)+ Ag 51 Gd 14 , (Ru)+ Ag 51 Gd 14 , Pd(Ag)+ Pd3Gd and (Ru)+ Pd3Gd; three three-phase regions: Pd(Ag)+ Pd3Gd+(Ru), Pd(Ag)+ Ag 51 Gd 14 +(Ru) and (Ru)+ Ag 51 Gd 14 + Pd3Gd; one four-phase region Pd(Ag)+ (Ru)+ Ag 51 Gd 14 + Pd3Gd. No new quaternary intermetallic phase is found. 展开更多
关键词 合金 二元结构 四位体 金属互化物
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Phase-engineering modulation of Mn-based oxide cathode for constructing super-stable sodium storage 被引量:1
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作者 Quanqing Zhao Ruru Wang +5 位作者 Ming Gao Bolin Liu Jianfeng Jia Haishun Wu Youqi Zhu Chuanbao Cao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期421-427,I0010,共8页
The Mn-based oxide cathode with enriched crystal phase structure and component diversity can provide the excellent chemistry structure for Na-ion batteries.Nevertheless,the broad application prospect is obstructed by ... The Mn-based oxide cathode with enriched crystal phase structure and component diversity can provide the excellent chemistry structure for Na-ion batteries.Nevertheless,the broad application prospect is obstructed by the sluggish Na^(+)kinetics and the phase transitions upon cycling.Herein,we establish the thermodynamically stable phase diagram of various Mn-based oxide composites precisely controlled by sodium content tailoring strategy coupling with co-doping and solid-state reaction.The chemical environment of the P2/P'3 and P2/P3 biphasic composites indicate that the charge compensation mechanism stems from the cooperative contribution of anions and cations.Benefiting from the no phase transition to scavenge the structure strain,P2/P'3 electrode can deliver long cycling stability(capacity retention of 73.8%after 1000 cycles at 10 C)and outstanding rate properties(the discharge capacity of 84.08 mA h g^(-1)at 20 C)than P2/P3 electrode.Furthermore,the DFT calculation demonstrates that the introducing novel P'3 phase can significantly regulate the Na^(+)reaction dynamics and modify the local electron configuration of Mn.The effective phase engineering can provide a reference for designing other high-performance electrode materials for Na-ion batteries. 展开更多
关键词 Sodium ion battery Oxide cathode phase engineering phase diagram Na~+kinetic
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In situ observation of the phase transformation kinetics of bismuth during shock release
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作者 李江涛 王倩男 +7 位作者 徐亮 柳雷 张航 Sota Takagi Kouhei Ichiyanagi Ryo Fukaya Shunsuke Nozawa 胡建波 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期586-592,共7页
A time-resolved x-ray diffraction technique is employed to monitor the structural transformation of laser-shocked bismuth.Results reveal a retarded transformation from the shock-induced Bi-Ⅴphase to a metastable Bi-... A time-resolved x-ray diffraction technique is employed to monitor the structural transformation of laser-shocked bismuth.Results reveal a retarded transformation from the shock-induced Bi-Ⅴphase to a metastable Bi-Ⅳphase during the shock release,instead of the thermodynamically stable Bi-Ⅲphase.The emergence of the metastable Bi-Ⅳphase is understood by the competitive interplay between two transformation pathways towards the Bi-Ⅳand Bi-Ⅲ,respectively.The former is more rapid than the latter because the Bi-Ⅴto B-Ⅳtransformation is driven by interaction between the closest atoms while the Bi-Ⅴto B-Ⅲtransformation requires interaction between the second-closest atoms.The nucleation time for the Bi-Ⅴto Bi-Ⅳtransformation is determined to be 5.1±0.9 ns according to a classical nucleation model.This observation demonstrates the importance of the formation of the transient metastable phases,which can change the phase transformation pathway in a dynamic process. 展开更多
关键词 phase transformation time-resolved x-ray diffraction(XRD) BISMUTH metastable phase nonequilibrium phase diagram
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Optimal parameter space for stabilizing the ferroelectric phase of Hf_(0.5)Zr_(0.5)O_(2) thin films under strain and electric fields
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作者 王侣锦 王聪 +4 位作者 周霖蔚 周谐宇 潘宇浩 吴幸 季威 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期509-517,共9页
Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is fe... Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions, which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices. Here, we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions. Three mechanisms were found to be capable of lowering the relative energy of the O-phase, namely, more significant surface-bulk portion of(111) surfaces, compressive c-axis strain,and positive electric fields. Considering these mechanisms, we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial, respectively. These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm, ascribed to its lower surface energies. All these results shed considerable light on designing more robust and higher-performance ferroelectric devices. 展开更多
关键词 Hf_(0.5)Zr_(0.5)O_(2) orthorhombic phase ferroelectric films phase stability thickness-dependent ternary phase diagrams
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基于第一性原理和热力学计算的TiAl-Nb金属间化合物稳定性和相关系研究
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作者 汪文洋 徐勇 +4 位作者 田彬 甘信柱 王志刚 梁永锋 林均品 《原子与分子物理学报》 CAS 北大核心 2025年第5期151-162,共12页
采用基于广义梯度近似密度泛函理论的第一性原理计算和相图计算方法,研究了TiAl-Nb合金中γ、α_(2)、O_(2)和ωo相的热力学和力学性质以及相转变关系.研究表明,第一性原理计算得到的化合物相的参数是准确的,且分析结果与相图计算结果... 采用基于广义梯度近似密度泛函理论的第一性原理计算和相图计算方法,研究了TiAl-Nb合金中γ、α_(2)、O_(2)和ωo相的热力学和力学性质以及相转变关系.研究表明,第一性原理计算得到的化合物相的参数是准确的,且分析结果与相图计算结果相一致.四个化合物相都是能够稳定存在的相.通过热力学和力学性质的分析,发现α_(2)相更容易转变为O_(2)相,并且在一定条件下可以通过相变反应生成ωo相.而γ相更容易转变为ωo相,但无法生成O_(2)相. 展开更多
关键词 TIAL合金 第一性原理 相图 声子谱及态密度 热力学性质
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CL⁃20/HMX共晶在有机溶剂中的三元相图测定
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作者 杨秋秋 强福智 +5 位作者 徐胜良 张慧琴 赵华丽 王亮 谭利敏 刘发龙 《固体火箭技术》 北大核心 2025年第1期42-47,共6页
为深入分析六硝基六氮杂异伍兹烷(CL-20)/奥克托金(HMX)共晶炸药形成过程及其溶解行为,采用高效液相色谱法测定了HMX、CL-20分别在丙酮、乙腈和二甲基亚砜(DMSO)中的溶解度以及HMX在不同浓度CL-20溶液中的溶解度,构建了20℃下CL-20/HMX... 为深入分析六硝基六氮杂异伍兹烷(CL-20)/奥克托金(HMX)共晶炸药形成过程及其溶解行为,采用高效液相色谱法测定了HMX、CL-20分别在丙酮、乙腈和二甲基亚砜(DMSO)中的溶解度以及HMX在不同浓度CL-20溶液中的溶解度,构建了20℃下CL-20/HMX/丙酮、CL-20/HMX/乙腈和CL-20/HMX/DMSO的三元相图;开展了温度对CL-20/HMX/丙酮和CL-20/HMX/DMSO三元相图的影响研究;基于溶液化学中的平衡理论,通过对以DMSO为溶剂时的溶解度数据拟合得到热力学参数溶度积常数(K_(sp))、络合常数(K_(11)和K_(21))和吉布斯自由能(ΔG^(0))。结果表明,HMX和CL-20在溶剂中的溶解度越大、溶解度差异越小,三元相图中的共晶区域越大、形状越对称;在20~35℃范围内,温度对CL-20/HMX/丙酮三元相图的形状和各区域大小影响较小,而对CL-20/HMX/DMSO三元相图的影响较为明显;随着温度升高,溶度积常数K_(sp)增大,CL-20/HMX共晶在DMSO中的溶解度增大;ΔG^(0)均为负值,表明CL-20和HMX在DMSO中的共晶为自发过程;CL-20/HMX共晶在DMSO中的溶液络合模型为1∶1+2∶1。 展开更多
关键词 CL-20 HMX 共晶炸药 溶解度 三元相图 热力学参数
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Dynamic phase transition of ferroelectric nanotube described by a spin-1/2 transverse Ising model 被引量:1
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作者 Chundong Wang Ying Wu +1 位作者 Yulin Cao Xinying Xue 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第2期227-231,共5页
The dynamic phase transition properties for ferroelectric nanotube under a spin-1/2 transverse Ising model are studied under the effective field theory(EFT)with correlations.The temperature effects on the pseudo-spin ... The dynamic phase transition properties for ferroelectric nanotube under a spin-1/2 transverse Ising model are studied under the effective field theory(EFT)with correlations.The temperature effects on the pseudo-spin systems are unveiled in three-dimensional(3-D)and two-dimensional(2-D)phase diagrams.Moreover,the dynamic behaviors of exchange interactions on the 3-D and 2-D phase transitions under high temperature are exhibited.The results present that it is hard to obtain pure ferroelectric phase under high temperature;that is,the vibration of orderly pseudo-spins cannot be eliminated completely. 展开更多
关键词 ferroelectric nanotube three-dimensional(3-D)phase diagram Ising model dynamic phase transitions
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