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Complete Universal Scaling of First-Order Phase Transitions in the Two-Dimensional Ising Model
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作者 Yuxiang Zhang Fan Zhong 《Chinese Physics Letters》 2025年第9期1-6,共6页
Phase transitions,as one of the most intriguing phenomena in nature,are divided into first-order phase transitions(FOPTs)and continuous ones in current classification.While the latter shows striking phenomena of scali... Phase transitions,as one of the most intriguing phenomena in nature,are divided into first-order phase transitions(FOPTs)and continuous ones in current classification.While the latter shows striking phenomena of scaling and universality,the former has recently also been demonstrated to exhibit scaling and universal behavior within a mesoscopic,coarse-grained Landau-Ginzburg theory.Here we apply this theory to a microscopic model-the paradigmatic Ising model,which undergoes FOPTs between two ordered phases below its critical temperature-and unambiguously demonstrate universal scaling behavior in such FOPTs.These results open the door for extending the theory to other microscopic FOPT systems and experimentally testing them to systematically uncover their scaling and universal behavior. 展开更多
关键词 first order phase transitions scaling universalitythe paradigmatic ising modelwhich two dimensional Ising model coarse grained Landau Ginzburg theory scaling universal behavior phase transitionsas universal scaling
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Arguing on Entropic and Enthalpic First-Order Phase Transitions in Strongly Interacting Matter
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作者 F. Wunderlich R. Yaresko B. Kämpfer 《Journal of Modern Physics》 2016年第8期852-862,共11页
The pattern of isentropes in the vicinity of a first-order phase transition is proposed as a key for a sub-classification. While the confinement-deconfinement transition, conjectured to set in beyond a critical end po... The pattern of isentropes in the vicinity of a first-order phase transition is proposed as a key for a sub-classification. While the confinement-deconfinement transition, conjectured to set in beyond a critical end point in the QCD phase diagram, is often related to an entropic transition and the apparently settled gas-liquid transition in nuclear matter is an enthalphic transition, the conceivable local isentropes w.r.t. “incoming” or “outgoing” serve as another useful guide for discussing possible implications, both in the presumed hydrodynamical expansion stage of heavy-ion collisions and the core-collapse of supernova explosions. Examples, such as the quark-meson model and two-phase models, are shown to distinguish concisely the different transitions. 展开更多
关键词 Entropic and Enthalpic phase transitions Chiral phase transition Isentropes Quark-Meson Model Linear Sigma Model with Linearized Fluctuations
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Energy mechanism of the first-order superradiant phase transition in cavity-BEC system with double asymmetric pump beams
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作者 Wei Qin Dong-Chen Zheng +2 位作者 Jia-Ying Lin Yuan-Hong Chen Renyuan Liao 《Chinese Physics B》 2025年第12期155-162,共8页
We consider a Bose-Einstein condensate loaded inside an optical cavity and exposed to two crossed coherent pump fields with same imbalance parameter γ.We identify different effects between pure standing wave fields(... We consider a Bose-Einstein condensate loaded inside an optical cavity and exposed to two crossed coherent pump fields with same imbalance parameter γ.We identify different effects between pure standing wave fields(γ=1)and the pump beams combining standing wave and running wave(γ≠1).In particular,for γ=1,the system only hosts a normal phase and a superradiant phase.In contrast,for γ≠1,the system features three distinctive phases:the normal phase(NP),superradiant phase 1(SR_(1)),and superradiant phase 2(SR_(2)).Importantly,the superradiance is subdivided into different types characterized by the photon phase.Furthermore,we determine perturbatively the phase boundary separating the normal phase and the superradiant phases,and find that there exists a competitive relationship of energy minimum on the overlapping region between SR_(1) and SR_(2).Interestingly,the transition between the normal phase to SR_(1) or SR_(2) is identified to be a second-order phase transition,while the transition between SR_(1) and SR_(2) is a first-order transition.When the first-order phase transition occurs,the phase of the photons changes abruptly from 0 to π/2. 展开更多
关键词 Bose–Einstein condensate superradiant phase transition light–atom hybrid system
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Volume change and creep behaviors related to stress-phase transition path in methane hydrate-bearing silty sand
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作者 Jiazuo Zhou Qi Fan +1 位作者 Zhenyu Zhu Changfu Wei 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第2期1526-1540,共15页
The volume change behavior of natural gas hydrate-bearing sediment is essential as it influences settlement,strength,and stiffness,which directly affect the stability of hydrate reservoirs during hydrate extraction or... The volume change behavior of natural gas hydrate-bearing sediment is essential as it influences settlement,strength,and stiffness,which directly affect the stability of hydrate reservoirs during hydrate extraction or in response to environmental changes.The volume change is influenced not only by stress but also by the formation and dissociation of hydrates.This study adopted a customized apparatus for one-dimensional compression tests,allowing independent control of gas pressure and effective stress.Tests were conducted on samples with different hydrate saturations along various temperature-gas pressure-effective stress paths,yielding some conclusions related to compressibility and creep.An unusual phenomenon was observed under low-stress conditions:hydrate formation led to shrinkage rather than expansion.Three potential mechanisms behind this occurrence were discussed.As hydrate saturation increases,the yield stress rises while the compression and swelling indexes remain minimally affected.After hydrate dissociation,the compression curve of hydrate-bearing sediment drops to that of hydrate-free sediment.Once hydrate is formed,the compression curve of hydrate-free sediment gradually approaches that of hydrate-bearing sediment during the subsequent loading.Under low-stress conditions,the creep of both hydrate-free and hydrate-bearing sediments is very weak.However,when stress increases,significantly beyond the yield stress,the creep of both sediments increases significantly,with hydrate-bearing sediment exhibiting much greater creep than hydrate-free sediment. 展开更多
关键词 Hydrate-bearing sediment phase transition Volume change Creep behavior
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W/V Dual-Atom Doping MoS_(2)-Mediated Phase Transition for Efficient Polysulfide Adsorption/Conversion Kinetics in Lithium-Sulfur Battery
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作者 Zhe Cui Ping Feng +2 位作者 Gang Zhong Qingdong Ou Mingkai Liu 《Nano-Micro Letters》 2026年第4期700-717,共18页
The dissolvable polysulfides and sluggish Li_2S conversion kinetics are acknowledged as two significant challenges in the application lithium-sulfur(Li-S)batteries.Herein,we introduce a dual-doping strategy to modulat... The dissolvable polysulfides and sluggish Li_2S conversion kinetics are acknowledged as two significant challenges in the application lithium-sulfur(Li-S)batteries.Herein,we introduce a dual-doping strategy to modulate the electronic structure of MoS_(2),thereby obtaining a multifunctional catalyst that serves as an efficient sulfur host.The W/V dual single-atomdoped MoS_(2)grown on carbon nanofibers(CMWVS)demonstrates a strong adsorption ability for lithium polysulfides,suppressing the shuttle effects.Additionally,the doping process also results in the phase transition from 2H-MoS_(2)to 1T-MoS_(2)and generates sufficient edge sulfur atoms,promoting the charge/electron transfer and enriching the reaction sites.All these merits contribute to the superior conversion reaction kinetics,leading to the outstanding Li-S battery performance.When fabricated as cathodes by compositing with sulfur,the CMWVS/S cathode delivers a high capacity of 1481.7 mAh g^(-1)at 0.1 C(1 C=1672 mAh g^(-1))and maintains 816.3 m Ah g^(-1)after 1000 cycles at 1.0 C,indicating outstanding cycling stability.Even under a high sulfur loading of 7.9 mg cm^(-2)and lean electrolyte conditions(E/S ratio of 9.0μL mg^(-1)),the cathode achieves a high areal capacity of 8.2 m Ah cm^(-2),showing great promise for practical Li-S battery applications.This work broadens the scope of doping strategies in transition-metal dichalcogenides by tailoring their electronic structures,providing insightful direction for the rational development of high-efficiency electrocatalysts for advanced Li-S battery applications. 展开更多
关键词 lithium-sulfur batteries ELECTROCATALYST phase transition Dual single atoms Molybdenum disulfide
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Nanoreactor-Structured Defective MoS_(2):Suppressing Intercalation-Induced Phase Transitions and Enhancing Reversibility for Potassium-Ion Batteries
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作者 Chunrong Ma Cyrus Koroni +3 位作者 Jiacheng Hu Ji Qian Guangshuai Han Hui Xiong 《Nano-Micro Letters》 2026年第4期771-786,共16页
Conversion-type electrode materials hold significant promise for potassium-ion batteries(PIBs)due to their high theoretical capacities,yet their practical deployment is hindered by sluggish kinetics and irreversible s... Conversion-type electrode materials hold significant promise for potassium-ion batteries(PIBs)due to their high theoretical capacities,yet their practical deployment is hindered by sluggish kinetics and irreversible structural degradation.To overcome these limitations,we propose a rationally engineered nanoreactor architecture that stabilizes defect-rich MoS_(2)via interlayer incorporation of a carbon monolayer,followed by encapsulation within a nitrogen-doped carbon shell,forming a MoSSe@NC heterostructure.This tailored structure synergistically accelerates both K^(+)diffusion kinetics and electron transfer,enabling unprecedented rate performance(107 mAh g^(-1)at 10 Ag^(-1))and ultralong cyclability(86.5%capacity retention after 1200 cycles at 3 A g^(-1)).Mechanistic insights reveal a distinctive“adsorption-conversion”pathway,where sulfur vacancies on exposed S-Mo-S basal planes act as preferential K^(+)adsorption sites,effectively suppressing parasitic phase transitions during intercalation.In situ X-ray diffraction and transmission electron microscopy corroborate the structural reversibility of the conversion reaction,with the carbon matrix dynamically accommodating strain while preserving electrode integrity.This work not only advances the understanding of defect-driven interfacial chemistry in conversion-type materials but also provides a versatile strategy for designing high-performance anodes in next-generation PIBs through heterostructure engineering. 展开更多
关键词 Potassium ion batteries phase transitions Structure reversibility Intercalated heterostructure Defect engineering
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Phase transition of interfacial water at low-dimensions
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作者 Wenlong Liang Yujie Huang +1 位作者 Yue Zhang Chunlei Wang 《Chinese Physics B》 2026年第2期1-13,共13页
Water molecules can form hydrogen bonds.At the solid surfaces,the preferential alignment of water molecules due to the heterogeneous atomic distributions can induce ordered hydrogen bond networks of water molecules wi... Water molecules can form hydrogen bonds.At the solid surfaces,the preferential alignment of water molecules due to the heterogeneous atomic distributions can induce ordered hydrogen bond networks of water molecules with spatially heterogeneous patterns and slower dynamics compared to bulk water.Both the confinement and the surface atomic structures can induce the water phase transitions at low dimensional spaces.Here,we review how the phase transitions of interfacial water affect the surface physical behaviors,such as wetting,ice nucleation and the terahertz-wave-water interactions,from solid materials to the biological surfaces.These works help extend our knowledge of the physics properties of the interfacial water,particularly the multi-phase behaviors in materials and biology sciences. 展开更多
关键词 interfacial water ordered water phase transition hydrophilicity/hydrophobicity THz electric waves
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Structural phase transition and quasi-layered active-ion distribution suppress concentration quenching in Tb^(3+)-activated KBi(MoO_(4))_(2)
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作者 Mengyu Zhang Shujing Pan +4 位作者 Haitang Hu Wenzhi Su Yong Zou Shoujun Ding Qingli Zhang 《Chinese Physics B》 2026年第1期295-304,共10页
Conventional Tb^(3+)-doped phosphors typically suffer from concentration quenching once the doping level exceeds a critical threshold.Consequently,the development of Tb^(3+)phosphors with intrinsic resistance to conce... Conventional Tb^(3+)-doped phosphors typically suffer from concentration quenching once the doping level exceeds a critical threshold.Consequently,the development of Tb^(3+)phosphors with intrinsic resistance to concentration quenching has become a key research focus.In this work,we successfully synthesized KBi(MoO_(4))_(2):x Tb^(3+)(x=0-100 at%)(denoted as KBM:x Tb^(3+))phosphors via a high-temperature solid-state reaction.Remarkably,no concentration quenching was observed across the entire doping range.This anti-quenching behavior originates from the large Tb^(3+)-Tb^(3+)interionic distance(>5Å)inherent to the quasi-layered crystal structure,which effectively suppresses multipole-interaction-mediated energy migration.At full Tb^(3+)substitution(x=100 at%),the material undergoes a structural phase transition from the monoclinic KBM phase to the triclinicα-KTb(MoO_(4))_(2)(α-KTM)phase.Theα-KTM phosphor exhibits excellent thermal stability(activation energy=0.6129 eV)and a single-exponential decay profile,whereas KBM:x Tb^(3+)(x<100%)display double-exponential decay behaviors,attributed to dual energy transfer pathways.These findings provide new insights into the luminescence mechanisms of high-concentration rare-earth-doped systems and offer guidance for designing nextgeneration anti-quenching phosphors. 展开更多
关键词 Tb^(3+)doping layered crystal structure anti-concentration quenching structural phase transition
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Corrigendum to“Molecular dynamics study incorporating regression analysis:Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases”
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《Chinese Physics B》 2026年第2期714-715,共2页
In Chin.Phys.B 34114704(2025),Eq.(7)and the associated unit notation were incorrect.The correct ones are present here.Since Eq.(7)is an in-built expression in the simulation package,the correction is purely typographi... In Chin.Phys.B 34114704(2025),Eq.(7)and the associated unit notation were incorrect.The correct ones are present here.Since Eq.(7)is an in-built expression in the simulation package,the correction is purely typographical and does not affect the simulation procedure,numerical results,or the conclusions. 展开更多
关键词 associated unit notation water phase transition WETTABILITY sinusoidal protrusions simulation packagethe insoluble gases simulation procedurenumerical molecular dynamics
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First-order phase transition and unexpected rigid rotation mode in hybrid improper ferroelectric(La,Al)co-substituted Ca_(3)Ti_(2)O_(7) ceramics 被引量:6
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作者 Z.Z.Hu J.J.Lu +4 位作者 B.H.Chen T.T.Gao X.Q.Liu W.Wen X.M.Chen 《Journal of Materiomics》 SCIE EI 2019年第4期618-625,共8页
Ca_(3)Ti_(2)O_(7) with Ruddlesden-Popper structure exhibits the largest polarization among the known hybrid improper ferroelectrics.However,the high Curie temperature impedes the thorough study of phase transition thr... Ca_(3)Ti_(2)O_(7) with Ruddlesden-Popper structure exhibits the largest polarization among the known hybrid improper ferroelectrics.However,the high Curie temperature impedes the thorough study of phase transition through dielectric characterization.According to the previous theoretical design rule,the Curie temperature can be suppressed by increasing the tolerance factor.So,in the present work,high-quality Ca_(3-x)LaxTi_(2-x)Al_(x)O_(7)(x=0.0,0.1,0.2,0.3)ceramics with increased tolerance factors were successfully prepared.The amplitude of oxygen octahedral tilt mode indeed decreases with increasing tolerance factors,leading to a degeneration of ferroelectric polarization.However,the unexpected rigid rotation mode causes the composition-invariable coercive fields.The Curie temperatures decrease linearly with increasing x and tolerance factors.The variable-temperature dielectric constant confirms first-order improper ferroelectric transitions in Ca_(3)Ti_(2)O_(7)-based ceramics.The results of variable temperature Xray diffraction reveal the coexistence of two-phases below Curie temperature.The present work confidently confirms the first-order improper ferroelectric transition in Ca_(3)Ti_(2)O_(7)-based ceramics by combining results of variable-temperature dielectric response and in-situ X-ray powder diffraction. 展开更多
关键词 Hybrid improper ferroelectricity Ca_(3)Ti_(2)O_(7) Rigid rotation mode first-order phase transition Dielectric response
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Renormalization-group theory of first-order phase transition dynamics in field-driven scalar model 被引量:2
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作者 Fan Zhong 《Frontiers of physics》 SCIE CSCD 2017年第5期199-229,共31页
Through a detailed study of the mean-field approximation, the Gaussian approximation, the perturbation expansion, and the field-theoretic renormalization-group analysis of a φ^3 theory, we show that the instability f... Through a detailed study of the mean-field approximation, the Gaussian approximation, the perturbation expansion, and the field-theoretic renormalization-group analysis of a φ^3 theory, we show that the instability fixed points of the theory, together with their associated instability exponents, are quite probably relevant to the scaling and universality behavior exhibited by the first-order phase transitions in a field-driven scalar Ca model, below its critical temperature and near the instability points. Finite- time scaling and leading corrections to the scaling are considered. We also show that the instability exponents of the first-order phase transitions are equivalent to those of the Yang-Lee edge singularity, and employ the latter to improve our estimates of the former. The outcomes agree well with existing numerical results. 展开更多
关键词 first-order phase transitions renormalization group theory φ^3 theory scaling and universality instability exponents Yang-Lee edge singularity finite-time scaling corrections to scaling scalar model DYNAMICS hysteresis
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Renormalization group theory for temperature-driven first-order phase transitions in scalar models
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作者 Ning Liang Fan Zhong 《Frontiers of physics》 SCIE CSCD 2017年第6期79-96,共18页
We study the scaling and universal behavior of temperature-driven first-order phase transitions in scalar models. These transitions are found to exhibit rich phenomena, though they are controlled by a single complex-c... We study the scaling and universal behavior of temperature-driven first-order phase transitions in scalar models. These transitions are found to exhibit rich phenomena, though they are controlled by a single complex-conjugate pair of imaginary fixed points of φ3 theory. Scaling theories and renormalization group theories are developed to account for the phenomena, and three universality classes with their own hysteresis exponents are found: a field-like thermal class, a partly thermal class, and a purely thermal class, designated, respectively, as Thermal Classes I, II, and III. The first two classes arise from the opposite limits of the scaling forms proposed and may cross over to each other depending on the temperature sweep rate. They are both described by a massless model and a purely massive model, both of which are equivalent and are derived from φ3 theory via symmetry. Thermal Class III characterizes the cooling transitions in the absence of applied external fields and is described by purely thermal models, which include cases in which the order parameters possess different symmetries and thus exhibit different universality classes. For the purely thermal models whose free energies contain odd-symmetry terms, Thermal Class III emerges only at the mean-field level and is identical to Thermal Class II. Fluctuations change the model into the other two models. Using the extant three- and two- loop results for the static and dynamic exponents for the Yang-Lee edge singularity, respectively, which falls into the same universality class as φ3 theory, we estimate the thermal hysteresis exponents of the various classes to the same precision. Comparisons with numerical results and experiments are briefly discussed. 展开更多
关键词 first-order phase transitions thermal phase transitions renormalization group theory φ3theory scaling and universality thermal classes instability exponents finite-time scaling scalar model dynamics thermal hysteresis
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Exploring multiple phases and first-order phase transitions in Kármán Vortex Street
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作者 Xu Li Xing Xiang +2 位作者 Tingting Xue Limin Wang Xiaosong Chen 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2024年第11期47-54,共8页
Kármán Vortex Street, a fascinating phenomenon of fluid dynamics, has intrigued the scientific community for a long time. Many researchers have dedicated their efforts to unraveling the essence of this intri... Kármán Vortex Street, a fascinating phenomenon of fluid dynamics, has intrigued the scientific community for a long time. Many researchers have dedicated their efforts to unraveling the essence of this intriguing flow pattern. Here, we apply the lattice Boltzmann method with curved boundary conditions to simulate flows around a circular cylinder and study the emergence of Kármán Vortex Street using the eigen microstate approach, which can identify phase transition and its order-parameter. At low Reynolds number, there is only one dominant eigen microstate W_(1) of laminar flow. At Re_(c)^(1)= 53.6, there is a phase transition with the emergence of an eigen microstate pair W^(2,3) of pressure and velocity fields. Further at Re_(c)^(2)= 56, there is another phase transition with the emergence of two eigen microstate pairs W^(4,5) and W^(6,7). Using the renormalization group theory of eigen microstate,both phase transitions are determined to be first-order. The two-dimensional energy spectrum of eigen microstate for W^(1), W^(2,3) after Re_(c)^(1), W^(4-7) after Re_(c)^(2) exhibit-5/3 power-law behavior of Kolnogorov's K41 theory. These results reveal the complexity and provide an analysis of the Kármán Vortex Street from the perspective of phase transitions. 展开更多
关键词 Kármán Vortex Street first-order phase transition eigen microstate approach renormalization group theory of eigen microstate
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Gravitational waves from cosmic strings after a first-order phase transition
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作者 Ruiyu Zhou Ligong Bian 《Chinese Physics C》 SCIE CAS CSCD 2022年第4期34-39,共6页
We study the possibility of probing high scale phase transitions that are inaccessible by LIGO.Our study shows that the stochastic gravitational-wave radiation from cosmic strings that are formed after the first-order... We study the possibility of probing high scale phase transitions that are inaccessible by LIGO.Our study shows that the stochastic gravitational-wave radiation from cosmic strings that are formed after the first-order phase transition can be detected by space-based interferometers when the phase transition temperature is T_(n)~O(10^(8−11))GeV. 展开更多
关键词 new physics beyond the Standard Model gravitational-wave cosmic string first-order phase transition
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Energy budget of cosmological first-order phase transition in FLRW background
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作者 Rong-Gen Cai Shao-Jiang Wang 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2018年第8期33-53,共21页
We study the hydrodynamics of bubble expansion in cosmological first-order phase transition in the Fdedmann-LemMtre- Robertson-Walker (FLRW) background with probe limit. Different from previous studies for fast firs... We study the hydrodynamics of bubble expansion in cosmological first-order phase transition in the Fdedmann-LemMtre- Robertson-Walker (FLRW) background with probe limit. Different from previous studies for fast first-order phase transition in flat background, we find that, for slow first-order phase transition in FLRW background with a given peculiar velocity of the bubble wall, the efficiency factor of energy transfer into bulk motion of thermal fluid is significantly reduced, thus decreasing the previously-thought dominated contribution from sound wave to the stochastic gravitational-wave background. 展开更多
关键词 cosmological first-order phase transition bubble expansion HYDRODYNAMICS
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First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction 被引量:2
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作者 赵秀琴 刘妮 梁九卿 《Communications in Theoretical Physics》 SCIE CAS CSCD 2017年第5期511-519,共9页
In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on... In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model's ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. 展开更多
关键词 first-order quantum phase transition atom-atom interaction spin-coherent-state variational method
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First-order quantum phase transition and entanglement in the Jaynes-Cummings model with a squeezed light
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作者 汤椿琦 沈利托 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第7期262-267,共6页
We study the quantum phase transition and entanglement in the Jaynes-Cummings model with squeezed light,utilize a special transformation method to obtain the analytical ground state of the model within the near-resona... We study the quantum phase transition and entanglement in the Jaynes-Cummings model with squeezed light,utilize a special transformation method to obtain the analytical ground state of the model within the near-resonance regime,and numerically verify the validity of the analytical ground state.It is found that the ground state exhibits a first-order quantum phase transition at the critical point linearly induced by squeezed light,and the ground state entanglement reaches its maximum when the qubit-field coupling strength is large enough at the critical point. 展开更多
关键词 Jaynes-Cummings model quantum phase transition ENTANGLEMENT
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Medium-entropy configuration enabling reversible P2-OP4 phase transition in layered oxides for high-rate sodium-ion batteries 被引量:2
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作者 Fei-Fei Hong Xin Zhou +9 位作者 Hao Liu Gui-Lin Feng Xiao-Hong Liu Heng Zhang Wei-Feng Fan Bin Zhang Mei-Hua Zuo Wang-Yan Xing Ping Zhang Wei Xiang 《Rare Metals》 2025年第5期2997-3007,共11页
Layered transition metal oxides have emerged as promising cathode materials for sodium ion batteries.However,irreversible phase transitions cause structural distortion and cation rearrangement,leading to sluggish Na+d... Layered transition metal oxides have emerged as promising cathode materials for sodium ion batteries.However,irreversible phase transitions cause structural distortion and cation rearrangement,leading to sluggish Na+dynamics and rapid capacity decay.In this study,we propose a medium-entropy cathode by simultaneously introducing Fe,Mg,and Li dopants into a typical P2-type Na_(0.75)Ni_(0.25)Mn_(0.75)O_(2)cathode.The modified Na_(0.75)Ni_(0.2125)Mn_(0.6375)Fe_(0.05)Mg_(0.05)Li_(0.05)O_(2)cathode predominantly exhibits a main P2 phase(93.5%)with a minor O3 phase(6.5%).Through spectroscopy techniques and electrochemical investigations,we elucidate the redox mechanisms of Ni^(2+/3+/4+),Mn^(3+/4+),Fe^(3+/4+),and O_(2)-/O_(2)^(n-)during charging/discharging.The medium-entropy doping mitigates the detrimental P2-O_(2)phase transition at high-voltage,replacing it with a moderate and reversible structural evolution(P2-OP4),thereby enhancing structural stability.Consequently,the modified cathode exhibits a remarkable rate capacity of 108.4 mAh·g^(-1)at 10C,with a capacity retention of 99.0%after 200 cycles at 1C,82.5%after 500 cycles at 5C,and 76.7%after 600 cycles at 10C.Furthermore,it also demonstrates superior electrochemical performance at high cutoff voltage of 4.5 V and extreme temperature(55 and 0℃).This work offers solutions to critical challenges in sodium ion batteries cathode materials. 展开更多
关键词 Layered oxide cathode Sodium ion batteries phase transition Medium-entropy P2/O3 biphasic structure
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Hydrogen production via ammonia decomposition on molybdenum carbide catalysts: Exploring the Mo/C ratio and phase transition dynamics 被引量:1
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作者 Bowen Sun Siyun Mu +3 位作者 Bingbing Chen Guojun Hu Rui Gao Chuan Shi 《Chinese Journal of Catalysis》 2025年第7期365-376,共12页
The deployment of non-precious metal catalysts for the production of COx-free hydrogen via the ammonia decomposition reaction(ADR)presents a promising yet great challenge.In the present study,two crystal structures of... The deployment of non-precious metal catalysts for the production of COx-free hydrogen via the ammonia decomposition reaction(ADR)presents a promising yet great challenge.In the present study,two crystal structures of α-MoC and β-Mo_(2)C catalysts with different Mo/C ratios were synthesized,and their ammonia decomposition performance as well as structural evolution in ADR was investigated.The β-Mo_(2)C catalyst,characterized by a higher Mo/C ratio,demonstrated a remarkable turnover frequency of 1.3 s^(-1),which is over tenfold higher than that ofα-MoC(0.1 s^(-1)).An increase in the Mo/C ratio of molybdenum carbide revealed a direct correlation between the surface Mo/C ratio and the hydrogen yield.The transient response surface reaction indicated that the combination of N*and N*derived from NH_(3) dissociation represents the rate-determining step in the ADR,andβ-Mo2C exhibited exceptional proficiency in facilitating this pivotal step.Concurrently,the accumulation of N*species on the carbide surface could induce the phase transition of molybdenum carbide to nitride,which follows a topological transformation.It is discovered that such phase evolution was affected by the Mo-C surface and reaction temperature simultaneously.When the kinetics of combination of N*was accelerated by rising temperatures and its accumulation on the carbide surface was mitigated,β-Mo_(2)C maintained its carbide phase,preventing nitridation during the ADR at 810℃.Our results contribute to an in-depth understanding of the molybdenum carbides’catalytic properties in ADR and highlight the nature of the carbide-nitride phase transition in the reaction. 展开更多
关键词 Molybdenum carbides phase transition NITRIDATION Recombination Ammonia decomposition reaction
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Temperature-dependent competition between dislocation motion and phase transition in CdTe 被引量:1
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作者 Jun Li Kun Luo Qi An 《Journal of Materials Science & Technology》 2025年第23期109-121,共13页
The plastic deformation of semiconductors,a process critical to their mechanical and electronic properties,involves various mechanisms such as dislocation motion and phase transition.Here,we systematically examined th... The plastic deformation of semiconductors,a process critical to their mechanical and electronic properties,involves various mechanisms such as dislocation motion and phase transition.Here,we systematically examined the temperature-dependent Peierls stress for 30°and 90°partial dislocations in cadmium telluride(CdTe),using a combination of molecular statics and molecular dynamics simulations with a machine-learning force field,as well as density functional theory simulations.Our findings reveal that the 0 K Peierls stresses for these partial dislocations in CdTe are relatively low,ranging from 0.52 GPa to 1.46 GPa,due to its significant ionic bonding characteristics.Notably,in the CdTe system containing either a 30°Cd-core or 90°Te-core partial dislocation,a phase transition from the zinc-blende phase to theβ-Sn-like phase is favored over dislocation motion.This suggests a competitive relationship between these two mechanisms,driven by the bonding characteristics within the dislocation core and the relatively low phase transition stress of∼1.00 GPa.Furthermore,we observed a general trend wherein the Peierls stress for partial dislocations in CdTe exhibits a temperature dependence,which decreases with increasing temperature,becoming lower than the phase transition stress at elevated temperatures.Consequently,the dominant deformation mechanism in CdTe shifts from solid-state phase transition at low temperatures to dislocation motion at high temperatures.This investigation uncovers a compelling interplay between dislocation motion and phase transition in the plastic deformation of CdTe,offering profound insights into the mechanical behavior and electronic performance of CdTe and other II-VI semiconductors. 展开更多
关键词 CDTE Peierls stress Dislocation motion Solid-state phase transition Machine-learning force field
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