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Characteristics of phase transitions in dry aligning active matter
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作者 Bing Yang Yanting Wang 《Communications in Theoretical Physics》 2025年第6期223-239,共17页
Active matter is a non-equilibrium condensed system consisting of self-propelled particles capable of converting stored or ambient energy into collective motion.Typical active matter systems include cytoskeleton biopo... Active matter is a non-equilibrium condensed system consisting of self-propelled particles capable of converting stored or ambient energy into collective motion.Typical active matter systems include cytoskeleton biopolymers,swimming bacteria,artificial swimmers,and animal herds.In contrast to wet active matter,dry active matter is an active system characterized by the absence of significant hydrodynamic interactions and conserved momentum.In dry active matter,the role of surrounding fluids is providing viscous friction at low Reynolds numbers and can be neglected at high Reynolds numbers.This review offers a comprehensive overview of recent experimental,computational,and theoretical advances in understanding phase transitions and critical phenomena in dry aligning active matter,including polar particles,self-propelled rods,active nematics,and their chiral counterparts.Various ways of determining phase transition points as well as non-equilibrium phenomena,such as collective motion,cluster formation,and creation and annihilation of topological defects are reviewed. 展开更多
关键词 dry aligning active matter continuous phase transitions discontinuous phase transitions topological phase transitions
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High-Pressure Phase Transitions and Mechanisms in Lanthanum Mononitride
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作者 Hao Chen Dan Zhou +1 位作者 Ying Xu Quan Li 《Chinese Physics Letters》 2025年第6期163-169,共7页
A longstanding discrepancy between theoretical predictions and experimental observations on the highpressurestructural transformations of lanthanum mononitride(LaN)has posed challenges for understandingthe behavior of... A longstanding discrepancy between theoretical predictions and experimental observations on the highpressurestructural transformations of lanthanum mononitride(LaN)has posed challenges for understandingthe behavior of heavy transition metal mononitrides.Here,we systematically investigate the structural evolutionof LaN under high pressure using first-principles calculations combined with angle-dispersive synchrotron X-raydiffraction,identifying the phase transition sequence and corresponding phase boundaries.Analyses of energetics,kinetic barriers,and lattice dynamics reveal distinct mechanisms driving these transitions.These results clarifythe structural stability of LaN and offer guidance for studying other heavy transition metal mononitrides withcomplex electronic behavior under extreme conditions. 展开更多
关键词 phase transition sequence understandingthe behavior heavy transition metal mononitridesherewe high pressure phase transitions lanthanum mononitride theoretical predictions lattice dynamics structural stability lanthanum mononitride lan
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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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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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Bistable switch molecule DPACdCl_(4) showing four physical channels and high phase transition temperature
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作者 Ying-Yu Zhang Jia-Qi Luo +4 位作者 Yan Han Wan-Ying Zhang Yi Zhang Hai-Feng Lu Da-Wei Fu 《Chinese Chemical Letters》 2025年第1期591-596,共6页
Multiple switchable physical channels within one material or device,encompassing optical,electrical,thermal,and mechanical pathways,can enable multifunctionality in mechanical-thermal-opto-electronic applications.Achi... Multiple switchable physical channels within one material or device,encompassing optical,electrical,thermal,and mechanical pathways,can enable multifunctionality in mechanical-thermal-opto-electronic applications.Achieving integrated encryption and enhanced performance in storage and sensing presents a formidable challenge in the synthesis and functionality of new materials.In an effort to overcome the complexities associated with these multiple physical functions,this study investigates the large-size crystal of DPACdCl_(4)(DPA=diisopropylammonium),revealing significant features in rare multi-channel switches.This compound demonstrates the ability to switch between"OFF/0"and"ON/1"states in the mechanical-thermal-opto-electronic channels.Consequently,DPACd Cl_(4)possesses four switchable physical channels,characterized by a higher phase transition temperature of 440.7 K and a competitive piezo-electric coefficient of 46 pC/N.Furthermore,solid-state NMR analysis indicates that thermally activated molecular vibrations significantly contribute to its multifunctional switching capabilities. 展开更多
关键词 Organic-inorganic hybrid phase transition Crystal PEROVSKITE PIEZOELECTRICITY
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Unpacking phase transitions in multi-component drug systems:A case study
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作者 Shifang Song Chenyu Wu +3 位作者 Li Zhang Dezhi Yang Yang Lu Zhengzheng Zhou 《Chinese Chemical Letters》 2025年第7期508-512,共5页
The phase transition among different solid forms of active pharmaceutical ingredients can significantly influence their physicochemical properties,potentially leading to clinical safety risks.However,phase transition ... The phase transition among different solid forms of active pharmaceutical ingredients can significantly influence their physicochemical properties,potentially leading to clinical safety risks.However,phase transition mechanisms remain under explored,especially in multi-component drugs.Here we report a novel ciprofloxacin-diclofenac salt system and investigate phase transitions among its anhydrate,dihydrate,and methanol solvate forms.The study focused on the influence of water activity and solvent vapor conditions,elucidating the role of vip molecules in driving these transitions.These findings offer new insights into polymorphic phase transitions,advancing our understanding of stability and performance in pharmaceutical formulations. 展开更多
关键词 phase transition Water activity Solvent vapor CIPROFLOXACIN DICLOFENAC
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Lattice oxygen transfer induced active phase transition of VPO catalysts in cross condensation of acetic acid and formaldehyde
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作者 Yinhong Niu Zhen Shi +6 位作者 Zhiquan Yu Qiang Guo Junju Mu Yafei Liang Zhixin Zhang Sheng Wang Feng Wang 《Chinese Journal of Catalysis》 2025年第12期112-126,共15页
Vanadium phosphorus oxide(VPO)catalyst is a promising candidate for the condensation reaction of formaldehyde(FA)and acetic acid(HAc)to produce acrylic acid(AA).However,the complexity of the active phases and their dy... Vanadium phosphorus oxide(VPO)catalyst is a promising candidate for the condensation reaction of formaldehyde(FA)and acetic acid(HAc)to produce acrylic acid(AA).However,the complexity of the active phases and their dynamic interconversion under redox conditions has led to controversies regarding the actual active phase in this reaction.To address this,this study systematically investigates the phase transition and underlying mechanism of VPO catalysts under reaction conditions.X-ray diffraction(XRD)patterns,Raman spectra,transmission electron microscopy images and X-ray photoelectron spectroscopy collectively demonstrated that the V^(4+)phase(VO)_(2)P_(2)O_(7)retained the bulk phase structure throughout the reaction,with only minor surface phase transition observed.In contrast,the V^(5+)phase underwent reduction to other phases in both bulk and surface regions.Specifically,theδ-VOPO_(4)phase rapidly transformed into theαII-VOPO_(4)phase,which could reversibly convert into the R1-VOHPO_(4)phase(V^(4+)).Controlled variable experiments,H_(2)-temperature programmed reduction and in-situ XRD experiments in a hydrogen atmosphere further demonstrated that these phase transitions were primarily attributed to the loss of lattice oxygen.The presence of V^(4+)phase in VPO catalysts enhanced the selectivity of acrylic acid,while the existence of V^(5+)phase promoted the activation of acetic acid.This work elucidates the redox-driven phase evolution of VPO catalysts and offers valuable insights for designing efficient catalysts for FA-HAc cross-condensation by balancing phase stability and activity. 展开更多
关键词 Vanadium phosphorus oxide phase transition Acetic acid FORMALDEHYDE Cross condensation Acrylic acid
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Homochiral organic ferroelastics with plastic phase transition
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作者 Yan-Ran Weng Wen-Fu Tian +8 位作者 Wen-Jing Ding Bi-He Ren De-Hou Liu Jia-Ying Tang Feng Zhou Xiao-Gang Chen Xian-Jiang Song Hui-Peng Lv Yong Ai 《Chinese Chemical Letters》 2025年第7期655-658,共4页
Organic ferroelastics with metal free features and intrinsically light weight are highly desirable for future applications in flexible,smart and biocompatible devices.However,organoferroelastics with plastic phase tra... Organic ferroelastics with metal free features and intrinsically light weight are highly desirable for future applications in flexible,smart and biocompatible devices.However,organoferroelastics with plastic phase transition have rarely been reported yet.Herein,we discovered ferroelasticity in a pair of organic enantiomers,(1S and/or 1R)-2,10-camphorsultam(S-and R-CPS),which undergoes a high-T_(c)plastic phase transition.Both large entropies change of∼45 J mol^(-1)K^(-1)and evidently ductile deformation process confirm the plastic phase feature.Strip-like ferroelastic domain patterns and bidirectional domain movements have been observed via polarized light microscopy and nanoindentation technique,respectively.This work highlights the discovery of organic ferroelastic combining the features of enantiomers and plastic phase transition,which contributes insights into exploration of organic multifunctional materials. 展开更多
关键词 Chiral Organic ferroelastic phase transition Plastic phase ORDER-DISORDER
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Enhanced Thomson and Unusual Nernst Coefficients in 1T-TiSe2 Due to Bipolar Transport and CDW Phase Transition
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作者 Md Sabbir Akhanda Kusal Sachithra Dharmasiri +2 位作者 Sree Sourav Das Despina Louca Mona Zebarjadi 《Energy & Environmental Materials》 2025年第4期243-249,共7页
Thermoelectric coolers utilizing the Peltier effect have dominated the field of solid-state cooling but their efficiency is hindered by material limitations.Alternative routes based on the Thomson and Nernst effects o... Thermoelectric coolers utilizing the Peltier effect have dominated the field of solid-state cooling but their efficiency is hindered by material limitations.Alternative routes based on the Thomson and Nernst effects offer new possibilities.Here,we present a comprehensive investigation of the thermoelectric properties of 1T-TiSe_(2),focusing on these effects around the charge density wave transition(≈200 K).The abrupt Fermi surface reconstruction associated with this transition leads to an exceptional peak in the Thomson coefficient of 450μVK^(-1) at 184 K,surpassing the Seebeck coefficient.Furthermore,1T-TiSe_(2) exhibits a remarkably broad temperature range(170-400 K)with a Thomson coefficient exceeding 190μV K^(-1),a characteristic highly desirable for the development of practical Thomson coolers with extended operational ranges.Additionally,the Nernst coefficient exhibits an unusual temperature dependence,increasing with temperature in the normal phase,which we attribute to bipolar conduction effects.The combination of solid-solid pure electronic phase transition to a semimetallic phase with bipolar transport is identified as responsible for the unusual Nernst trend and the unusually large Thomson coefficient over a broad temperature range. 展开更多
关键词 CDW phase transition Nernst effect Seebeck effect THERMOELECTRICS Thomson effect TiSe_(2)
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Hydrogen production via ammonia decomposition on molybdenum carbide catalysts: Exploring the Mo/C ratio and phase transition dynamics
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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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Fast and controllable anatase-to-rutile phase transition irradiated by NIR light
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作者 Hongping Zhao Hanzhaobing Wu +7 位作者 Baolong Shi Jiayue Wang Chunzheng Wu Chaohai Wang Xiaoyan Wang Wei Liu Chaoqing Dai Dalei Wang 《Chinese Chemical Letters》 2025年第11期200-206,共7页
As a semiconductor material with inorganic functional properties,titanium dioxide(TiO_(2))demonstrates exceptional optical,electrical,and catalytic characteristics.The catalytic performance of TiO_(2)is notably affect... As a semiconductor material with inorganic functional properties,titanium dioxide(TiO_(2))demonstrates exceptional optical,electrical,and catalytic characteristics.The catalytic performance of TiO_(2)is notably affected by the proportion of anatase to rutile within its mixed phase,which plays a crucial role in modulating its performance.The phase transition in TiO_(2)enhances the effective separation of photogenerated charge carriers,thereby improving their utilization.In this study,we present an efficient and proportionally adjustable TiO_(2)phase transition strategy induced by near-infrared light(NIR light)utilizing TiO_(2)and titanium carbide(Ti C)composites.Notably,the transition ratio of anatase to rutile phases can be adjusted by controlling the NIR light irradiation time in 1s intervals(within 6 s),resulting in conversion rates of 5.88%,13.29%,20.42%,26.02%,32.8%and 40.12%,respectively.This capability for tunable ratios is attributed to the photothermal effect of Ti C,which converts to anatase at higher temperatures while simultaneously promoting the layer-by-layer aggregation of adjacent anatase grains,thereby facilitating the phase transition.In addition,we assessed the photocatalytic efficiency of tetracycline hydrochloride(TC-HCl,an antibiotic)and methylene blue(MB,a dye)when exposed to visible light using different ratios of obtained phase junctions.The findings revealed that after a brief 3 s exposure to laser sintering,the weight fractions of rutile and anatase TiO_(2)were approximately 0.2 and 0.8,respectively.This specific ratio of phase transition exhibits superior photocatalytic performance compared to alternative phase transition ratios.The creation of heterojunctions in anatase/rutile TiO_(2)facilitated greater oxygen adsorption and heightened the density of localized states,thus effectively boosting the production of superoxide radicals(·O_(2)^(-))and hole(h^(+))species.The phase junction of TiO_(2)shows significant potential for application in wastewater treating,resulting in improved photocatalytic degradation of pollutants and highlighting its efficacy in environmental pollution control. 展开更多
关键词 Titanium dioxide phase transition NIR light Tunable ratios Photocatalytic degradation
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Corrigendum to“Multi-functional photonic spin Hall effect sensor controlled by phase transition”
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作者 Jie Cheng Rui-Zhao Li +3 位作者 Cheng Cheng Ya-Lin Zhang Sheng-Li Liu Peng Dong 《Chinese Physics B》 2025年第9期671-671,共1页
Figure 6(a)in the paper[Chin.Phys.B 33074203(2024)]was incorrect due to editorial oversight.The correct figure is provided.This modification does not affect the result presented in the paper.
关键词 CORRIGENDUM photonic spin Hall effect multi-functional sensors phase transition sensing performance
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Understanding thermal hysteresis of ferroelectric phase transitions in BaTiO_(3) with combined first-principle-based approach and phase-field model
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作者 Cancan Shao Houbing Huang 《Chinese Physics B》 2025年第2期454-461,共8页
Based on the principles of thermodynamics, we elucidate the fundamental reasons behind the hysteresis of spontaneous polarization in ferroelectric materials during heating and cooling processes. By utilizing the effec... Based on the principles of thermodynamics, we elucidate the fundamental reasons behind the hysteresis of spontaneous polarization in ferroelectric materials during heating and cooling processes. By utilizing the effective Hamiltonian method in conjuction with the phase-field model, we have successfully reproduced the thermal hysteresis observed in ferroelectric materials during phase transitions. The computational results regarding the electrocaloric effect from these two different computational scales closely align with experimental measurements. Furthermore, we analyze how the first-order ferroelectric phase transition gradually diminishes with an increasing applied electric field, exhibiting characteristics of second-order-like phase transition. By employing the characteristic parameters of thermal hysteresis, we have established a pathway for calculations across different computational scales, thereby providing theoretical support for further investigations into the properties of ferroelectric materials through concurrent multiscale simulations. 展开更多
关键词 ferroelectric phase transition thermal hysteresis multiscale simulation effective Hamiltonian phase-field model
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Unsteady Flow Dynamics and Phase Transition Behavior of CO_(2) in Fracturing Wellbores
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作者 Zihao Yang Jiarui Cheng +3 位作者 Zefeng Li Yirong Yang Linghong Tang Wenlan Wei 《Fluid Dynamics & Materials Processing》 2025年第9期2149-2176,共28页
This study presents a two-dimensional,transient model to simulate the flow and thermal behavior of CO_(2) within a fracturing wellbore.The model accounts for high-velocity flow within the tubing and radial heat exchan... This study presents a two-dimensional,transient model to simulate the flow and thermal behavior of CO_(2) within a fracturing wellbore.The model accounts for high-velocity flow within the tubing and radial heat exchange between the wellbore and surrounding formation.It captures the temporal evolution of temperature,pressure,flow velocity,and fluid density,enabling detailed analysis of phase transitions along different tubing sections.The influence of key operational and geological parameters,including wellhead pressure,injection velocity,inlet temperature,and formation temperature gradient,on the wellbore’s thermal and pressure fields is systematically investigated.Results indicate that due to intense convective transport by the high-speed CO_(2) flow,the temperature and velocity within the tubing are primarily governed by the inlet temperature and injection velocity,with relatively minor influence from radial heat transfer with the formation.The pressure,flow velocity,and density of CO_(2) within the tubing are strongly dependent on wellhead conditions.Frictional losses and well depth contribute to pressure variations,particularly in the horizontal section of the wellbore,where a noticeable pressurization effect increases the fluid density.During injection,liquid CO_(2) initially undergoes a rapid transition to a supercritical state,with the depth at which this phase change occurs stabilizing as injection progresses. 展开更多
关键词 Carbon dioxide fracturing wellbore temperature field unsteady flow radial heat transfer phase transition wellhead parameter effects
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Interfacial Elastic Film with Temperature Mediated-phase Transition Behavior for Tunable Suspended Sensing
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作者 Wei Zhou Yue Han +3 位作者 Peng Xiao Yi Yu Yu-Chao Wang Tao Chen 《Chinese Journal of Polymer Science》 2025年第7期1155-1162,共8页
Controllably tuning the sensing performance of flexible mechanical sensors is important for them to realize on-demand sensing of various mechanical stimuli in different application scenarios.However,current regulating... Controllably tuning the sensing performance of flexible mechanical sensors is important for them to realize on-demand sensing of various mechanical stimuli in different application scenarios.However,current regulating strategies focus on the construction process of individual sensors,the response performance of the as-formed sensors is still hard to autonomously tune with external stimulus changes like human skin.Here,we propose a new strategy that realizes post-tuning of the sensing performance by introducing a temperature-dependent phase transition elastomer into the sensing film.Through an interfacially confined photopolymerization reaction,a graphene-based phase-transition elastomeric(GPTE)film with a robust interface and excellent conductivity is well-formed at the water/air interface.Benefiting from the crystallization-melt dynamic switching in the elastomer network,the GPTE film could experience the reversible transformation between soft(1.65 MPa)and stiff(12.27MPa)states,showing huge changes of elastic modulus up to seven times near the phase transition temperature(28.5℃).Furthermore,the GPTE film is designed into a suspended perceptual configuration realizing the dynamic detection of 3D deformation adapted to temperature changes with up to 3.5-fold difference in response sensitivity.Finally,the self-adaptive sensing behavior of temperature-mediated 3D deformation is demonstrated by the effective detection of the dynamic stimulation process of cold and hot water droplets by the GPTE suspended film.The proposed strategy of phase transition-induced post-tuning of sensing performance could greatly facilitate flexible mechanical sensors towards a more intelligent one. 展开更多
关键词 phase transition elastomer Crystallization-melt switching Tunable modulus Suspended sensor Tunable sensing performance
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Flat-Band Lieb Electride with Emergent quantum Phase Transitions and Superconductivity
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作者 Chi Ding Yijie Zhu +6 位作者 Qing Lu Zhongwei Zhang Dexi Shao Tianheng Huang Yu Han Junjie Wang Jian Sun 《Chinese Physics Letters》 2025年第11期300-320,共21页
The Lieb lattice, characterized by its distinctive Dirac cone and flat-band electronic structures, hosts a variety of exotic physical phenomena. However, its realization remains largely confined to artificial lattices... The Lieb lattice, characterized by its distinctive Dirac cone and flat-band electronic structures, hosts a variety of exotic physical phenomena. However, its realization remains largely confined to artificial lattices. In this work, we propose the concept of a Lieb electride, where the non-bound electrons gather at the middle edges,behaving as the quasi-atoms of a Lieb lattice, enabling the emergence of flat bands. Using crystal structure prediction method MAGUS and first-principles calculations, we predict a stable candidate, Ca_(2)I, at ambient pressure. Distinct from conventional electrides with localized electrons at cavity centers, Ca_(2)I features interstitial electrons situated at cavity edges. The resultant flat bands lie close to the Fermi level, giving rise to a pronounced peak in the density of states and leading to Stoner-type ferromagnetism. With increasing pressures, we observe quantum phase transitions from ferromagnetic to non-magnetic and finally to antiferromagnetic orders in Ca_(2)I.Intriguingly, superconductivity emerges in the antiferromagnetic region, suggesting potential competition between these correlated states. Our study not only extends the concepts of electrides but also provides a novel strategy for realizing Lieb lattices through non-bound electrons. This work establishes Ca_(2)I as a promising platform for exploring flat-band physics and correlated electronic states, opening avenues for novel quantum phenomena in electride-based materials. 展开更多
关键词 lieb lattice flat band dirac cone artificial lattices emergence flat bands quantum phase transition lieb electride crystal structure prediction method magus
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Unraveling the magnetic and electronic complexity of intermetallic ErPd_(2)Si_(2):anisotropic thermal expansion,phase transitions,and twofold magnetotransport behaviour
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作者 Kaitong Sun Si Wu +7 位作者 Guanping Xu Lingwei Li Hongyu Chen Qian Zhao Muqing Su Wolfgang Schmidt Chongde Cao Hai-Feng Li 《Rare Metals》 2025年第7期4959-4973,共15页
We present a comprehensive investigation into the physical properties of intermetallic ErPd_(2)Si_(2),a compound renowned for its intriguing magnetic and electronic characteristics.We confirm the tetragonal crystal st... We present a comprehensive investigation into the physical properties of intermetallic ErPd_(2)Si_(2),a compound renowned for its intriguing magnetic and electronic characteristics.We confirm the tetragonal crystal structure of ErPd_(2)Si_(2)within the I4/mmm space group.Notably,we observed anisotropic thermal expansion,with the lattice constant a expanding and c contracting between 15 and300 K.This behaviour is attributed to lattice vibrations and electronic contributions.Heat capacity measurements revealed three distinct temperature regimes:T_(1)~3.0 K,T_(N)~4.20 K,and T_(2)~15.31 K.These correspond to thedisappearance of spin-density waves,the onset of an incommensurate antiferromagnetic(AFM)structure,and the crystal-field splitting and/or the presence of short-range spin fluctuations,respectively.Remarkably,the AFM phase transition anomaly was observed exclusively in lowfield magnetization data(120 Oe)at T_(N).A high magnetic field(B=3 T)effectively suppressed this anomaly,likely due to spin-flop and spin-flip transitions.Furthermore,the extracted effective paramagnetic(PM)moments closely matched the expected theoretical value,suggesting a dominant magnetic contribution from localized 4f spins of Er.Additionally,significant differences in resistance(R)values at low temperatures under applied B indicated a magnetoresistance(MR)effect with a minimum value of-4.36%.Notably,the measured MR effect exhibited anisotropic behavior,where changes in the strength or direction of the applied B induced variations in the MR effect.A twofold symmetry of R was discerned at 3 and9 T,originating from the orientation of spin moments relative to the applied B.Intriguingly,above T_(N),shortrange spin fluctuations also displayed a preferred orientation along the c-axis due to single-ion anisotropy.Moreover,the R demonstrated a clear B dependence below30 K.The magnetic-field point where R transitions from linear B dependence to a stable state increased with temperature:~3 T(at 2 K),~4.5 T(at 4 K),and~6 T(at 10 K).Our study sheds light on the magnetic and electronic properties of ErPd_(2)Si_(2),offering valuable insights for potential applications in spintronics and quantum technologies. 展开更多
关键词 Anisotropic thermal expansion MAGNETORESISTANCE Antiferromagnetic phase transitions Electronic transport properties Magnetotransport behavior
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Synthesis of two-dimensional diamond by phase transition from graphene at atmospheric pressure
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作者 Songyang Li Zhiguang Zhu +2 位作者 Youzhi Zhang Chengke Chen Xiaojun Hu 《Chinese Physics B》 2025年第5期596-607,共12页
It is a key challenge to prepare two-dimensional diamond(2D-diamond).Herein,we develop a method for synthesizing 2D-diamond by depositing monodisperse tantalum(Ta)atoms onto graphene substrates using a hot-filament ch... It is a key challenge to prepare two-dimensional diamond(2D-diamond).Herein,we develop a method for synthesizing 2D-diamond by depositing monodisperse tantalum(Ta)atoms onto graphene substrates using a hot-filament chemical vapor deposition setup,followed by annealing treatment under different temperatures at ambient pressure.The results indicate that when the annealing temperature increases from 700℃ to 1000℃,the size of the 2D-diamond found in the samples gradually increases from close to 20 nm to around 30 nm.Meanwhile,the size and number of amorphous carbon spheres and Ta-containing compounds between the graphene layers gradually increase.As the annealing temperature continues to rise to 1100℃,a significant aggregation of Ta-containing compounds is observed in the samples,with no diamond structure detected.This further confirms that monodisperse Ta atoms play a key role in graphene phase transition into 2D-diamond.This study provides a novel method for the ambient-pressure phase transition of graphene into 2D-diamond. 展开更多
关键词 GRAPHENE two-dimensional diamond vacuum annealing phase transition
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Promoting Form Ⅱ-Form Ⅰ Phase Transition of Polybutene-1 by Constantly Alternative Annealing
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作者 Tang-Guo Liu Xiang-Yang Li +3 位作者 Shui-Sheng Lu Yong-Xing Lin Lin Chen Xing-You Tian 《Chinese Journal of Polymer Science》 2025年第8期1395-1405,共11页
The slow phase transition from formⅡto formⅠhas always been an important factor that restricts the processing and application of polybutene-1(PB-1).After extensive efforts,a set of effective methods for promoting th... The slow phase transition from formⅡto formⅠhas always been an important factor that restricts the processing and application of polybutene-1(PB-1).After extensive efforts,a set of effective methods for promoting the phase transition rate in PB-1 was established by adjusting the crystallization,nucleation,and growth temperatures.Nevertheless,low-molecular-weight PB-1(LMWPB-1)faces challenges because this method requires a low crystallization temperature,which is difficult to achieve during extrusion processing.In this study,we attempted to increase the phase transition rate in PB-1 by changing the annealing temperature after processing rather than the crystallization temperature in the classical scheme.The results indicated that regardless of low-or high-molecular-weight PB-1,repeated annealing between 0 and 90℃could also promote formⅡto formⅠphase transition.The initial content of formⅠincreased with the heating and cooling cycles.The half-time of the phase transition(t_(1/2))was also shortened after heating/cooling.After 100 heating/cooling cycles,t_(1/2) was reduced to one-quarter of that without annealing,which had almost the same effect as the crystallization temperature at 25℃in promoting the phase transition.This study indicates that annealing after processing is also an important factor affecting the phase transition of PB-1,and should receive sufficient attention. 展开更多
关键词 POLYBUTENE-1 phase transition Alternative annealing Extrusion processing
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Irreversibility as a signature of non-equilibrium phase transition in large-scale human brain networks:An fMRI study
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作者 Jing Wang Kejian Wu +1 位作者 Jiaqi Dong Lianchun Yu 《Chinese Physics B》 2025年第5期636-644,共9页
It has been argued that the human brain,as an information-processing machine,operates near a phase transition point in a non-equilibrium state,where it violates detailed balance leading to entropy production.Thus,the ... It has been argued that the human brain,as an information-processing machine,operates near a phase transition point in a non-equilibrium state,where it violates detailed balance leading to entropy production.Thus,the assessment of irreversibility in brain networks can provide valuable insights into their non-equilibrium properties.In this study,we utilized an open-source whole-brain functional magnetic resonance imaging(fMRI)dataset from both resting and task states to evaluate the irreversibility of large-scale human brain networks.Our analysis revealed that the brain networks exhibited significant irreversibility,violating detailed balance,and generating entropy.Notably,both physical and cognitive tasks increased the extent of this violation compared to the resting state.Regardless of the state(rest or task),interactions between pairs of brain regions were the primary contributors to this irreversibility.Moreover,we observed that as global synchrony increased within brain networks,so did irreversibility.The first derivative of irreversibility with respect to synchronization peaked near the phase transition point,characterized by the moderate mean synchronization and maximized synchronization entropy of blood oxygenation level-dependent(BOLD)signals.These findings deepen our understanding of the non-equilibrium dynamics of large-scale brain networks,particularly in relation to their phase transition behaviors,and may have potential clinical applications for brain disorders. 展开更多
关键词 large-scale brain networks FMRI IRREVERSIBILITY non-equilibrium phase transition
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