Lithium-sulfur(Li-S)batteries require efficient catalysts to accelerate polysulfide conversion and mitigate the shuttle effect.However,the rational design of catalysts remains challenging due to the lack of a systemat...Lithium-sulfur(Li-S)batteries require efficient catalysts to accelerate polysulfide conversion and mitigate the shuttle effect.However,the rational design of catalysts remains challenging due to the lack of a systematic strategy that rationally optimizes electronic structures and mesoscale transport properties.In this work,we propose an autogenously transformed CoWO_(4)/WO_(2) heterojunction catalyst,integrating a strong polysulfide-adsorbing intercalation catalyst with a metallic-phase promoter for enhanced activity.CoWO_(4) effectively captures polysulfides,while the CoWO_(4)/WO_(2) interface facilitates their S-S bond activation on heterogenous catalytic sites.Benefiting from its directional intercalation channels,CoWO_(4) not only serves as a dynamic Li-ion reservoir but also provides continuous and direct pathways for rapid Li-ion transport.Such synergistic interactions across the heterojunction interfaces enhance the catalytic activity of the composite.As a result,the CoWO_(4)/WO_(2) heterostructure demonstrates significantly enhanced catalytic performance,delivering a high capacity of 1262 mAh g^(−1) at 0.1 C.Furthermore,its rate capability and high sulfur loading performance are markedly improved,surpassing the limitations of its single-component counterparts.This study provides new insights into the catalytic mechanisms governing Li-S chemistry and offers a promising strategy for the rational design of high-performance Li-S battery catalysts.展开更多
The martensitic-type phase transformation paths from the rutile to theα-PbO2 phase of TiO2 are studied with linear interpolation and NEB/G-SSNEB methods based on first-principles calculations.Its potential energy sur...The martensitic-type phase transformation paths from the rutile to theα-PbO2 phase of TiO2 are studied with linear interpolation and NEB/G-SSNEB methods based on first-principles calculations.Its potential energy surface and the lowest energy path are revealed.Our results indicate that the titanium atoms of the rutile phase shuffle along the[0-11]rut crystal direction to form theα-PbO2 phase.During the phase transition,the oxygen atoms are dragged by the heavier titanium atoms and then reach their new equilibrium positions.The barrier of phase transition from nudged elastic band theory is about 231 meV,which is qualitatively consistent with previous theoretical calculations from the monoclinic phase to the tetragonal phase for ZrO2 and HfO2.Debye model can also be successfully used to predict the pressure and temperature of the phase transformation.展开更多
Extensive first-principles calculations have been performed to examine the electrochemical properties of Na-ion-intercalatable heterostructures formed by transitional metal dichalcogenides(MS_(2),where M=Ti,V,Nb and M...Extensive first-principles calculations have been performed to examine the electrochemical properties of Na-ion-intercalatable heterostructures formed by transitional metal dichalcogenides(MS_(2),where M=Ti,V,Nb and Mo)and blue phosphorus(BlueP),which have been reported as potential anode materials for rechargeable sodium-ion batteries.Upon formation of heterostructures,much improved structural stabilities have observed compared with the pristine MS_(2) and BlueP.Metallic T-TiS_(2),T-MoS_(2),H(T)-VS_(2) and H(T)-NbS_(2) would retain the conductive character after formation of heterostructures with BlueP,however,HTiS_(2)/BlueP and H-MoS_(2)/BlueP would undergo a semiconductor to metallic transition accompanied by Na intercalation.Moreover,the presence of relatively low diffusion barriers ranging from 0.04 eV to 0.08 eV,coupled with the suitable average open-circuit voltage spanning from 0.12 eV to 0.89 eV,guarantee exceptional charge-discharge rates and ensure the safety of battery performance.Among these heterostructures,H(T)-NbS_(2)/BlueP and T-TiS_(2)/BlueP exhibit best Na adsorption ability of up to 4 layers,corresponding to theoretical capacities of 570.2 and 746.7 mAh/g,respectively.These encouraging properties indicate that T-TiS_(2)/BlueP and H(T)-NbS_(2)/BlueP could serve as suitable anode materials for high-performance sodiumion batteries.展开更多
The abelian(p+1)-form gauge field is inherently coupled to the p-brane worldvolume.After quantization,the corresponding p-form gauge transformation is associated with the local phase ambiguity of the p-brane wave func...The abelian(p+1)-form gauge field is inherently coupled to the p-brane worldvolume.After quantization,the corresponding p-form gauge transformation is associated with the local phase ambiguity of the p-brane wave functional.In essence,p-form gauge symmetry can be realized as a special construction of generic zero-form gauge symmetry in the functional space of p-brane configurations.The non-abelian generalization is straightforward in the functional space language.To simplify the analysis,we further introduce a toy model where the infinite dimensional functional space of p-brane configurations is replaced by a finite dimensional matrix space.After taking the symmetric trace in the matrix model,the original discussions of the p-form gauge symmetry can be inherited by the toy model.展开更多
Understanding skyrmion–skyrmion interactions and their dynamical effects is crucial for skyrmion-based applications.In this article,we investigate the deformation of skyrmions induced by the inter-skyrmion interactio...Understanding skyrmion–skyrmion interactions and their dynamical effects is crucial for skyrmion-based applications.In this article,we investigate the deformation of skyrmions induced by the inter-skyrmion interaction in both static and dynamic scenarios for a two-skyrmion system.In the static case under a pinning magnetic field,the inter-skyrmion interaction energy decreases rapidly with increasing separation between the skyrmions,while their individual sizes grow.The semiaxis ratio of the elliptical skyrmion exhibits non-monotonic behavior,owing to the competition between skyrmion–skyrmion interactions and pinning effects.In dynamic simulations after removing the external pinning field,the two skyrmions spiral away from each other with increasing separation.Following a rapid relaxation period after magnetic field withdrawal,their semiaxis ratio typically increases with distance and the skyrmions gradually approach a perfect circular shape.These findings provide valuable insights into the behavior and interactions of two-skyrmion systems.展开更多
For a scalar integrable model,it is generally believed that the solitons interact with each other elastically,for instance,multi-bright solitons from the nonlinear Schrodinger equation and the Korteweg-de Vries equati...For a scalar integrable model,it is generally believed that the solitons interact with each other elastically,for instance,multi-bright solitons from the nonlinear Schrodinger equation and the Korteweg-de Vries equation,etc.We obtain double-valley dark solitons from the defocusing Hirota equation by the Darboux transformation.Particularly,we report a remarkable phenomenon for the inelastic interaction of the double-valley dark solitons,in contrast to the solitons interacting with each other elastically for a scalar integrable model in previous works.Furthermore,we give the explicit conditions for the elastic collision based on the asymptotic analysis results.It is shown that the double-valley dark solitons could also admit elastic interaction under the special parameters settings.展开更多
Recently,a report from Elite Readers suggested that a strange phenomenon of ’square-shaped waves’ had occurred at the beaches of the Isle of Rhe in the Bay of Biscay.Based on the hydrological and geological data of ...Recently,a report from Elite Readers suggested that a strange phenomenon of ’square-shaped waves’ had occurred at the beaches of the Isle of Rhe in the Bay of Biscay.Based on the hydrological and geological data of the Bay of Biscay,we find that the special phenomenon is closely related to a solitary wave that can be described by the shallow water wave equation.We discuss the formation mechanisms of the square-shaped waves by the Kadomtsev-Petviashvili equation.The combination of exact solutions and actual condition provides the simulated initial state.We then reproduce a square-shaped structure by a numerical method and obtain the result consistent with the observed picture from media.Our work enriches public understanding of strange water waves and has great significance for tourism development and shipping transportation.展开更多
Order–disorder phase transitions for CH3NH3PbCl3 are studied with density functional theory. Our calculations show that the disorder is manifested in two aspects in the cubic phase, namely, the disorder of orientatio...Order–disorder phase transitions for CH3NH3PbCl3 are studied with density functional theory. Our calculations show that the disorder is manifested in two aspects in the cubic phase, namely, the disorder of orientation and rotation of organic groups. Organic groups of [CH3] and [NH3] in cubic crystals can easily rotate around its C3 axis. At the same time,[CH3NH3]^+ organic groups can also orient to different spatial directions due to the weak interactions between organic group and inorganic frame. Our results show that its possible phase transition path starts from the deviation of organic groups from the crystal c-axis. Its structural transition changes from disordered cubic phase to hydrogen-only disordered tetragonal structure in the process of decreasing symmetry. The disordered high temperature cubic phase can be expressed as a statistical average of substructures we rebuilt. The electrostatic repulsive force between adjacent organic groups triggers out the formation of low temperature phase on cooling.展开更多
A new diabatic potential energy matrix(PEM)of the coupled~^(1)ππ^(*)and~1πσ*states for the~1πσ*-mediated photodissociation of thiophenol was constructed using a neural network(NN)approach.The diabatization of th...A new diabatic potential energy matrix(PEM)of the coupled~^(1)ππ^(*)and~1πσ*states for the~1πσ*-mediated photodissociation of thiophenol was constructed using a neural network(NN)approach.The diabatization of the PEM was specifically achieved by our recent method[Chin.J.Chem.Phys.34,825(2021)],which was based on adiabatic energies without the associated costly derivative couplings.The equation of motion coupled cluster with single and double excitations(EOM-CCSD)method was employed to compute adiabatic energies of two excited states in this work due to its high accuracy,simplicity,and efficiency.The PEM includes three dimensionalities,namely the S-H stretch,C-S-H bend,and C-C-S-H torsional coordinates.The root mean square errors of the NN fitting for the S1 and S2 states are 0.89 and 1.33 me V,respectively,suggesting the high accuracy of the NN method as expected.The calculated lifetimes of the S1 vibronic 00 and31 states are found to be in reasonably good agreement with available theoretical and experimental results,which validates the new EOM-CCSD-based PEM fitted by the NN approach.The combination of the diabatization scheme solely based on the adiabatic energies and the use of EOM-CCSD method makes the construction of reliable diabatic PEM quite simple and efficient.展开更多
We uncover the virtual monopoles underlying the nontrivial phases of the one-dimensional nonlinear excitations of rogue waves by extending the Dirac magnetic monopole theory to a complex plane. We find that the densit...We uncover the virtual monopoles underlying the nontrivial phases of the one-dimensional nonlinear excitations of rogue waves by extending the Dirac magnetic monopole theory to a complex plane. We find that the density zeros of the nonlinear waves on the extended complex plane constitute the virtual monopole fields with a quantized flux of elementary π. We then explain the exotic properties of rogue waves by means of a virtual monopole collision mechanism and find that the maximum amplitude amplification ratio and multiple phase steps of the high-order rogue waves are closely related to the number of their contained monopoles. These results open a new avenue for studying topological properties of nonlinear waves and provide an alternative way to understand their dynamics.展开更多
The celebrated antiferromagnetic(AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [Shao et al. Nature 632 267(2024)]. Despite this important progress, i...The celebrated antiferromagnetic(AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [Shao et al. Nature 632 267(2024)]. Despite this important progress, it was observed that the AFM structure factor(and also the critical entropy) reaches its maximum at an interaction strength U/t■11.75, which is significantly larger than the theoretical prediction of U/t■8. Here,we resolve this discrepancy by studying the interplay between the thermal entropy, density disorder, and antiferromagnetism in the half-filled 3D Hubbard model, using numerically exact auxiliary-field quantum Monte Carlo simulations. We have achieved an accurate entropy phase diagram, enabling us to simulate arbitrary entropy path on the temperature-interaction plane and track experimental parameters effectively. We find that above the discrepancy can be quantitatively explained by the entropy increase associated with increasing interaction strength in experiments, and together with the lattice density disorder present in the experimental setup. We further investigate the entropy dependence of double occupancy and predict universal behaviors that could serve as valuable probes in future optical lattice experiments.展开更多
We investigate the integrability of the Rabi model,which is traditionally viewed as not Yang–Baxter-integrable despite its solvability.Building on efforts by Bogoliubov and Kulish(2013 J.Math.Sci.19214–30),Amico et ...We investigate the integrability of the Rabi model,which is traditionally viewed as not Yang–Baxter-integrable despite its solvability.Building on efforts by Bogoliubov and Kulish(2013 J.Math.Sci.19214–30),Amico et al(2007 Nucl.Phys.B 787283–300),and Batchelor and Zhou(2015 Phys.Rev.A 91053808),who explored special limiting cases of the model,we develop a spin–boson interaction Hamiltonian under more general boundary conditions,particularly focusing on open boundary conditions with off-diagonal terms.Our approach maintains the direction of the spin in the z direction and also preserves the boson particle number operator a^(†)a,marking a progression beyond previous efforts that have primarily explored reduced forms of the Rabi model from Yang–Baxter algebra.We also address the presence of‘unwanted’quadratic boson terms a^(2) and a^(†2),which share coefficients with the boson particle number operator.Interestingly,these terms vanish when spectral parameter u=±θ_(s),simplifying the model to a limiting case of operator-valued twists,a scenario previously discussed by Batchelor and Zhou(2015 Phys.Rev.A 91053808).展开更多
Passive Kerr fiber-loop resonators driven by coherent lasers exhibit a variety of nonlinear states,including modulation instability(MI),localized dissipative structures(solitons),and chaos.Although these transitions h...Passive Kerr fiber-loop resonators driven by coherent lasers exhibit a variety of nonlinear states,including modulation instability(MI),localized dissipative structures(solitons),and chaos.Although these transitions have been predicted theoretically,experimental real-time observations are rare in coherently driven Kerr fiber-loop resonators.In this study,we observed real-time transitions between the predicted nonlinear states by sweeping detuning both positively and negatively.We discovered the transition path between nonlinear states depending on the direction of detuning,providing new insights into the nonlinear dynamics.Our findings directly validate theoretical predictions and offer potential implications for future nonlinear optical applications.展开更多
Quantum battery exploits the principle of quantum mechanics to transport and store energy. We study the energy transportation of the central-spin quantum battery, which is composed of N_b spins serving as the battery ...Quantum battery exploits the principle of quantum mechanics to transport and store energy. We study the energy transportation of the central-spin quantum battery, which is composed of N_b spins serving as the battery cells, and surrounded by N_c spins serving as the charger cells. We apply the invariant subspace method to solve the dynamics of the central-spin battery with a large number of spins. We establish a universal inverse relationship between the battery capacity and the battery–charger entanglement, which persists in any size of the battery and charger cells. Moreover, we find that when N_b= N_c, the central-spin battery has the optimal energy transportation, corresponding to the minimal battery–charger entanglement. Surprisingly, the central-spin battery has a uniform energy transportation behaviors in certain battery–charger scales. Our results reveal a nonmonotonic relationship between the battery–charger size and the energy transportation efficiency, which may provide more insights on designing other types of quantum batteries.展开更多
We study fundamental dark-bright solitons and the interaction of vector nonlinear Schr?dinger equations in both focusing and defocusing regimes.Classification of possible types of soliton solutions is given.There are ...We study fundamental dark-bright solitons and the interaction of vector nonlinear Schr?dinger equations in both focusing and defocusing regimes.Classification of possible types of soliton solutions is given.There are two types of solitons in the defocusing case and four types of solitons in the focusing case.The number of possible variations of two-soliton solutions depends on this classification.We demonstrate that only special types of two-soliton solutions in the focusing regime can generate breathers of the scalar nonlinear Schr?dinger equation.The cases of solitons with equal and unequal velocities in the superposition are considered.Numerical simulations confirm the validity of our exact solutions.展开更多
For the efficient harnessing of solar energy and mitigation of environmental pollution,the develop-ment and application of semiconductor photocatalysis technology is paramount.Herein,a novel SubPc-Br/CdS supramolecula...For the efficient harnessing of solar energy and mitigation of environmental pollution,the develop-ment and application of semiconductor photocatalysis technology is paramount.Herein,a novel SubPc-Br/CdS supramolecular array with an S-scheme heterojunction was synthesized through the intermolecu-larπ-stacked self-assembly of subphthalocyanine(SubPc-Br)and nanometer cadmium sulfide(CdS).This self-assembly system features a highly structured architecture and excellent stability.Experiments and ground-state differential charge calculations demonstrate that SubPc-Br and CdS form a built-in electric field during the self-assembly process,a critical factor in promoting the dissociation of electrons and holes.Additionally,this study utilized time-dependent density functional theory(TDDFT)to simulate the dynamic adsorption behavior of excited oxygen molecules on the SubPc-Br/CdS interface for the first time.The analysis of molecular charge differential density under different excited states proved that the addi-tion of SubPc-Br molecules not only improves the photocorrosion resistance of CdS in an O2 adsorption environment but also enhances the production of advanced reactive oxygen species under the synergistic action of h+and·O2-.When subjected to visible light,the degradation efficiency of minocycline(MC)achieved 96.8%within 60 min and maintained 80.3%after 5 cycles.In summary,this study highlights the feasibility of creating advanced S-scheme heterojunction photocatalysts through the strategic incor-poration of organic supramolecules with semiconductor catalysts.展开更多
This research presents a detailed ab initio density functional theory(DFT)analysis on magnetic,thermoelectric,and optoelectronic properties of CaPr_(2)(S/Se)_(4) executed by Wien2k and Boltztrap2 packages for spintron...This research presents a detailed ab initio density functional theory(DFT)analysis on magnetic,thermoelectric,and optoelectronic properties of CaPr_(2)(S/Se)_(4) executed by Wien2k and Boltztrap2 packages for spintronic energy applications.The density of states,optimization energy,and negative formation energy all support the stability of the ferromagnetic state.The spin polarization density and Curie temperature(310 and 289 K)are also reported.In addition,the double exchange model,hybridization,density of states,band structures,exchange constants,exchange energies,and crystal field energies are addressed to ensure ferromagnetism by the spin of electrons.The magnetic moment of Pr shifts to Ca and S/Se sites,revealing that ferromagnetism is due to electron spin,not clustering of Pr magnetic ions.Thermoelectrics were evaluated by electrical conductivity(σ),thermal conductivity(k_(e)),Seebeck coefficient(S),power factor(S^(2)),and figures of merit(ZT).The room tempe rature values of S(0.169,0.183 mV/K)and ZT(0.76,0.90)increase their thermoelectric performance.Furthermore,dielectric function,refractive index,absorption coefficientα(ω),reflectivity R(ω),and other parameters are demonstrated in detail.Therefore,researchers can develop materials with the potential for spintronic and energy harvesting.展开更多
We reveal a special subset of non-degenerate Akhmediev breather(AB)solutions of Manakov equations that only exist in the focusing case.Based on exact solutions,we present the existence diagram of such excitations on t...We reveal a special subset of non-degenerate Akhmediev breather(AB)solutions of Manakov equations that only exist in the focusing case.Based on exact solutions,we present the existence diagram of such excitations on the frequency-wavenumber plane.Conventional single-frequency modulation instability leads to simultaneous excitation of three ABs with two of them being non-degenerate.展开更多
Quantum coherence is a basic concept in quantum mechanics, representing one of the most fundamental characteristics that distinguishes quantum mechanics from classical physics. Quantum coherence is the basis for multi...Quantum coherence is a basic concept in quantum mechanics, representing one of the most fundamental characteristics that distinguishes quantum mechanics from classical physics. Quantum coherence is the basis for multi-particle interference and quantum entanglement. It is also the essential ingredient for various physical phenomena in quantum optics, quantum information, etc. In recent years, with the proposal of a quantum coherence measurement scheme based on a resource theory framework, quantum coherence as a quantum resource has been extensively investigated. This article reviews the resource theories of quantum coherence and introduces the important applications of quantum coherence in quantum computing,quantum information, and interdisciplinary fields, particularly in quantum thermodynamics and quantum biology. Quantum coherence and its applications are still being explored and developed. We hope this review can provide inspiration for relevant research.展开更多
In this note, we recalculate the entropy of the Vaidya black hole on the event horizon by considering the generalized uncertainty principle based on the brick-wall model. The result shows that we need not impose a cut...In this note, we recalculate the entropy of the Vaidya black hole on the event horizon by considering the generalized uncertainty principle based on the brick-wall model. The result shows that we need not impose a cut-off by hand anymore and the result satisfies the Bekenstein-Hawking law as well.展开更多
基金support of the National Natural Science Foundation of China(22075131 and 22078265)the Shaanxi Fundamental Science Research Project for Mathematics and Physics under Grants(No.22JSZ005)the State-Key Laboratory of Multiphase Complex Systems(No.MPCS-2021-A).
文摘Lithium-sulfur(Li-S)batteries require efficient catalysts to accelerate polysulfide conversion and mitigate the shuttle effect.However,the rational design of catalysts remains challenging due to the lack of a systematic strategy that rationally optimizes electronic structures and mesoscale transport properties.In this work,we propose an autogenously transformed CoWO_(4)/WO_(2) heterojunction catalyst,integrating a strong polysulfide-adsorbing intercalation catalyst with a metallic-phase promoter for enhanced activity.CoWO_(4) effectively captures polysulfides,while the CoWO_(4)/WO_(2) interface facilitates their S-S bond activation on heterogenous catalytic sites.Benefiting from its directional intercalation channels,CoWO_(4) not only serves as a dynamic Li-ion reservoir but also provides continuous and direct pathways for rapid Li-ion transport.Such synergistic interactions across the heterojunction interfaces enhance the catalytic activity of the composite.As a result,the CoWO_(4)/WO_(2) heterostructure demonstrates significantly enhanced catalytic performance,delivering a high capacity of 1262 mAh g^(−1) at 0.1 C.Furthermore,its rate capability and high sulfur loading performance are markedly improved,surpassing the limitations of its single-component counterparts.This study provides new insights into the catalytic mechanisms governing Li-S chemistry and offers a promising strategy for the rational design of high-performance Li-S battery catalysts.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51872227,51572219,and 11447030).
文摘The martensitic-type phase transformation paths from the rutile to theα-PbO2 phase of TiO2 are studied with linear interpolation and NEB/G-SSNEB methods based on first-principles calculations.Its potential energy surface and the lowest energy path are revealed.Our results indicate that the titanium atoms of the rutile phase shuffle along the[0-11]rut crystal direction to form theα-PbO2 phase.During the phase transition,the oxygen atoms are dragged by the heavier titanium atoms and then reach their new equilibrium positions.The barrier of phase transition from nudged elastic band theory is about 231 meV,which is qualitatively consistent with previous theoretical calculations from the monoclinic phase to the tetragonal phase for ZrO2 and HfO2.Debye model can also be successfully used to predict the pressure and temperature of the phase transformation.
基金supported by the Fund of Education Department of Shaanxi Provincial Government(No.23JP172)the National Natural Science Foundation of China(No.22309189)financial support from Xiaomi Young Talents Program.
文摘Extensive first-principles calculations have been performed to examine the electrochemical properties of Na-ion-intercalatable heterostructures formed by transitional metal dichalcogenides(MS_(2),where M=Ti,V,Nb and Mo)and blue phosphorus(BlueP),which have been reported as potential anode materials for rechargeable sodium-ion batteries.Upon formation of heterostructures,much improved structural stabilities have observed compared with the pristine MS_(2) and BlueP.Metallic T-TiS_(2),T-MoS_(2),H(T)-VS_(2) and H(T)-NbS_(2) would retain the conductive character after formation of heterostructures with BlueP,however,HTiS_(2)/BlueP and H-MoS_(2)/BlueP would undergo a semiconductor to metallic transition accompanied by Na intercalation.Moreover,the presence of relatively low diffusion barriers ranging from 0.04 eV to 0.08 eV,coupled with the suitable average open-circuit voltage spanning from 0.12 eV to 0.89 eV,guarantee exceptional charge-discharge rates and ensure the safety of battery performance.Among these heterostructures,H(T)-NbS_(2)/BlueP and T-TiS_(2)/BlueP exhibit best Na adsorption ability of up to 4 layers,corresponding to theoretical capacities of 570.2 and 746.7 mAh/g,respectively.These encouraging properties indicate that T-TiS_(2)/BlueP and H(T)-NbS_(2)/BlueP could serve as suitable anode materials for high-performance sodiumion batteries.
基金supported by National Natural Science Foundation of China(Grants No.12275217,12247103).
文摘The abelian(p+1)-form gauge field is inherently coupled to the p-brane worldvolume.After quantization,the corresponding p-form gauge transformation is associated with the local phase ambiguity of the p-brane wave functional.In essence,p-form gauge symmetry can be realized as a special construction of generic zero-form gauge symmetry in the functional space of p-brane configurations.The non-abelian generalization is straightforward in the functional space language.To simplify the analysis,we further introduce a toy model where the infinite dimensional functional space of p-brane configurations is replaced by a finite dimensional matrix space.After taking the symmetric trace in the matrix model,the original discussions of the p-form gauge symmetry can be inherited by the toy model.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12175180,11934015,and12247103,Shaanxi Fundamental Science Research Project for Mathematics and Physics(Grant Nos.22JSZ005 and22JSQ041)the Natural Science Basic Research Program of Shaanxi Province,China(Grant No.2024JC-YBMS-022)。
文摘Understanding skyrmion–skyrmion interactions and their dynamical effects is crucial for skyrmion-based applications.In this article,we investigate the deformation of skyrmions induced by the inter-skyrmion interaction in both static and dynamic scenarios for a two-skyrmion system.In the static case under a pinning magnetic field,the inter-skyrmion interaction energy decreases rapidly with increasing separation between the skyrmions,while their individual sizes grow.The semiaxis ratio of the elliptical skyrmion exhibits non-monotonic behavior,owing to the competition between skyrmion–skyrmion interactions and pinning effects.In dynamic simulations after removing the external pinning field,the two skyrmions spiral away from each other with increasing separation.Following a rapid relaxation period after magnetic field withdrawal,their semiaxis ratio typically increases with distance and the skyrmions gradually approach a perfect circular shape.These findings provide valuable insights into the behavior and interactions of two-skyrmion systems.
基金Supported by the National Natural Science Foundation of China(Grant Nos.11771151,12022513,11775176)the Guangzhou Science and Technology Program(Grant No.201904010362)+1 种基金the Fundamental Research Funds for Central Universities(Grant No.2019MS110)the Major Basic Research Program of Natural Science of Shaanxi Province(Grant No.2018KJXX-094)。
文摘For a scalar integrable model,it is generally believed that the solitons interact with each other elastically,for instance,multi-bright solitons from the nonlinear Schrodinger equation and the Korteweg-de Vries equation,etc.We obtain double-valley dark solitons from the defocusing Hirota equation by the Darboux transformation.Particularly,we report a remarkable phenomenon for the inelastic interaction of the double-valley dark solitons,in contrast to the solitons interacting with each other elastically for a scalar integrable model in previous works.Furthermore,we give the explicit conditions for the elastic collision based on the asymptotic analysis results.It is shown that the double-valley dark solitons could also admit elastic interaction under the special parameters settings.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11875220 and 11425522
文摘Recently,a report from Elite Readers suggested that a strange phenomenon of ’square-shaped waves’ had occurred at the beaches of the Isle of Rhe in the Bay of Biscay.Based on the hydrological and geological data of the Bay of Biscay,we find that the special phenomenon is closely related to a solitary wave that can be described by the shallow water wave equation.We discuss the formation mechanisms of the square-shaped waves by the Kadomtsev-Petviashvili equation.The combination of exact solutions and actual condition provides the simulated initial state.We then reproduce a square-shaped structure by a numerical method and obtain the result consistent with the observed picture from media.Our work enriches public understanding of strange water waves and has great significance for tourism development and shipping transportation.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51572219,51872227,11204239,and 11447030)the Project of Natural Science Foundation of Shaanxi Province of China(Grant Nos.2015JM1018,2013JQ1018,15JK1759,and 15JK1714)the Science Foundation of Northwest University of China(Grant No.12NW06)
文摘Order–disorder phase transitions for CH3NH3PbCl3 are studied with density functional theory. Our calculations show that the disorder is manifested in two aspects in the cubic phase, namely, the disorder of orientation and rotation of organic groups. Organic groups of [CH3] and [NH3] in cubic crystals can easily rotate around its C3 axis. At the same time,[CH3NH3]^+ organic groups can also orient to different spatial directions due to the weak interactions between organic group and inorganic frame. Our results show that its possible phase transition path starts from the deviation of organic groups from the crystal c-axis. Its structural transition changes from disordered cubic phase to hydrogen-only disordered tetragonal structure in the process of decreasing symmetry. The disordered high temperature cubic phase can be expressed as a statistical average of substructures we rebuilt. The electrostatic repulsive force between adjacent organic groups triggers out the formation of low temperature phase on cooling.
基金supported by the National Natural Science Foundation of China(No.22073073)the Startup Foundation of Northwest UniversityThe Double First-Class University Construction Project of Northwest University。
文摘A new diabatic potential energy matrix(PEM)of the coupled~^(1)ππ^(*)and~1πσ*states for the~1πσ*-mediated photodissociation of thiophenol was constructed using a neural network(NN)approach.The diabatization of the PEM was specifically achieved by our recent method[Chin.J.Chem.Phys.34,825(2021)],which was based on adiabatic energies without the associated costly derivative couplings.The equation of motion coupled cluster with single and double excitations(EOM-CCSD)method was employed to compute adiabatic energies of two excited states in this work due to its high accuracy,simplicity,and efficiency.The PEM includes three dimensionalities,namely the S-H stretch,C-S-H bend,and C-C-S-H torsional coordinates.The root mean square errors of the NN fitting for the S1 and S2 states are 0.89 and 1.33 me V,respectively,suggesting the high accuracy of the NN method as expected.The calculated lifetimes of the S1 vibronic 00 and31 states are found to be in reasonably good agreement with available theoretical and experimental results,which validates the new EOM-CCSD-based PEM fitted by the NN approach.The combination of the diabatization scheme solely based on the adiabatic energies and the use of EOM-CCSD method makes the construction of reliable diabatic PEM quite simple and efficient.
基金supported by the National Natural Science Foundation of China (Grant Nos.12375005,12022513,and12235007)the National Safety Academic Fund(Grant No.U2330401)。
文摘We uncover the virtual monopoles underlying the nontrivial phases of the one-dimensional nonlinear excitations of rogue waves by extending the Dirac magnetic monopole theory to a complex plane. We find that the density zeros of the nonlinear waves on the extended complex plane constitute the virtual monopole fields with a quantized flux of elementary π. We then explain the exotic properties of rogue waves by means of a virtual monopole collision mechanism and find that the maximum amplitude amplification ratio and multiple phase steps of the high-order rogue waves are closely related to the number of their contained monopoles. These results open a new avenue for studying topological properties of nonlinear waves and provide an alternative way to understand their dynamics.
基金supported by the National Natural Science Foundation of China (Grant Nos.12247103,12204377,12275263)the Quantum Science and Technology National Science and Technology Major Project (Grant No.2021ZD0301900)+1 种基金the Natural Science Foundation of Fujian province of China (Grant No.2023J02032)the Youth Innovation Team of Shaanxi Universities。
文摘The celebrated antiferromagnetic(AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [Shao et al. Nature 632 267(2024)]. Despite this important progress, it was observed that the AFM structure factor(and also the critical entropy) reaches its maximum at an interaction strength U/t■11.75, which is significantly larger than the theoretical prediction of U/t■8. Here,we resolve this discrepancy by studying the interplay between the thermal entropy, density disorder, and antiferromagnetism in the half-filled 3D Hubbard model, using numerically exact auxiliary-field quantum Monte Carlo simulations. We have achieved an accurate entropy phase diagram, enabling us to simulate arbitrary entropy path on the temperature-interaction plane and track experimental parameters effectively. We find that above the discrepancy can be quantitatively explained by the entropy increase associated with increasing interaction strength in experiments, and together with the lattice density disorder present in the experimental setup. We further investigate the entropy dependence of double occupancy and predict universal behaviors that could serve as valuable probes in future optical lattice experiments.
基金supported by the National Natural Science Foundation of China(Grant Nos.12275214,12247103,12047502)the Natural Science Basic Research Program of Shaanxi Province Grant Nos.2021JCW-19 and 2019JQ-107Shaanxi Key Laboratory for Theoretical Physics Frontiers in China.
文摘We investigate the integrability of the Rabi model,which is traditionally viewed as not Yang–Baxter-integrable despite its solvability.Building on efforts by Bogoliubov and Kulish(2013 J.Math.Sci.19214–30),Amico et al(2007 Nucl.Phys.B 787283–300),and Batchelor and Zhou(2015 Phys.Rev.A 91053808),who explored special limiting cases of the model,we develop a spin–boson interaction Hamiltonian under more general boundary conditions,particularly focusing on open boundary conditions with off-diagonal terms.Our approach maintains the direction of the spin in the z direction and also preserves the boson particle number operator a^(†)a,marking a progression beyond previous efforts that have primarily explored reduced forms of the Rabi model from Yang–Baxter algebra.We also address the presence of‘unwanted’quadratic boson terms a^(2) and a^(†2),which share coefficients with the boson particle number operator.Interestingly,these terms vanish when spectral parameter u=±θ_(s),simplifying the model to a limiting case of operator-valued twists,a scenario previously discussed by Batchelor and Zhou(2015 Phys.Rev.A 91053808).
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12475006 and 12004309)the Shaanxi Fundamental Science Research Project for Mathematics and Physics(Grant No.22JSQ036)。
文摘Passive Kerr fiber-loop resonators driven by coherent lasers exhibit a variety of nonlinear states,including modulation instability(MI),localized dissipative structures(solitons),and chaos.Although these transitions have been predicted theoretically,experimental real-time observations are rare in coherently driven Kerr fiber-loop resonators.In this study,we observed real-time transitions between the predicted nonlinear states by sweeping detuning both positively and negatively.We discovered the transition path between nonlinear states depending on the direction of detuning,providing new insights into the nonlinear dynamics.Our findings directly validate theoretical predictions and offer potential implications for future nonlinear optical applications.
基金Project supported by the National Natural Science Foundation (Grant Nos. 12275215,12305028,and 12247103)the Major Basic Research Program of the Natural Science of Shaanxi Province,China (Grant No. 2021JCW-19)Shaanxi Fundamental Science Research Project for Mathematics and Physics (Grant No. 22JSZ005)。
文摘Quantum battery exploits the principle of quantum mechanics to transport and store energy. We study the energy transportation of the central-spin quantum battery, which is composed of N_b spins serving as the battery cells, and surrounded by N_c spins serving as the charger cells. We apply the invariant subspace method to solve the dynamics of the central-spin battery with a large number of spins. We establish a universal inverse relationship between the battery capacity and the battery–charger entanglement, which persists in any size of the battery and charger cells. Moreover, we find that when N_b= N_c, the central-spin battery has the optimal energy transportation, corresponding to the minimal battery–charger entanglement. Surprisingly, the central-spin battery has a uniform energy transportation behaviors in certain battery–charger scales. Our results reveal a nonmonotonic relationship between the battery–charger size and the energy transportation efficiency, which may provide more insights on designing other types of quantum batteries.
基金supported by the NSFC(Grants Nos.12175178and 12247103)Shaanxi Fundamental Science Research Project for Mathematics and Physics(Grant No.22JSY016)Graduate innovation project of Northwest University(Grant No.CX2024137)。
文摘We study fundamental dark-bright solitons and the interaction of vector nonlinear Schr?dinger equations in both focusing and defocusing regimes.Classification of possible types of soliton solutions is given.There are two types of solitons in the defocusing case and four types of solitons in the focusing case.The number of possible variations of two-soliton solutions depends on this classification.We demonstrate that only special types of two-soliton solutions in the focusing regime can generate breathers of the scalar nonlinear Schr?dinger equation.The cases of solitons with equal and unequal velocities in the superposition are considered.Numerical simulations confirm the validity of our exact solutions.
基金the National Natural Science Foun-dation of China(No.22278334)。
文摘For the efficient harnessing of solar energy and mitigation of environmental pollution,the develop-ment and application of semiconductor photocatalysis technology is paramount.Herein,a novel SubPc-Br/CdS supramolecular array with an S-scheme heterojunction was synthesized through the intermolecu-larπ-stacked self-assembly of subphthalocyanine(SubPc-Br)and nanometer cadmium sulfide(CdS).This self-assembly system features a highly structured architecture and excellent stability.Experiments and ground-state differential charge calculations demonstrate that SubPc-Br and CdS form a built-in electric field during the self-assembly process,a critical factor in promoting the dissociation of electrons and holes.Additionally,this study utilized time-dependent density functional theory(TDDFT)to simulate the dynamic adsorption behavior of excited oxygen molecules on the SubPc-Br/CdS interface for the first time.The analysis of molecular charge differential density under different excited states proved that the addi-tion of SubPc-Br molecules not only improves the photocorrosion resistance of CdS in an O2 adsorption environment but also enhances the production of advanced reactive oxygen species under the synergistic action of h+and·O2-.When subjected to visible light,the degradation efficiency of minocycline(MC)achieved 96.8%within 60 min and maintained 80.3%after 5 cycles.In summary,this study highlights the feasibility of creating advanced S-scheme heterojunction photocatalysts through the strategic incor-poration of organic supramolecules with semiconductor catalysts.
文摘This research presents a detailed ab initio density functional theory(DFT)analysis on magnetic,thermoelectric,and optoelectronic properties of CaPr_(2)(S/Se)_(4) executed by Wien2k and Boltztrap2 packages for spintronic energy applications.The density of states,optimization energy,and negative formation energy all support the stability of the ferromagnetic state.The spin polarization density and Curie temperature(310 and 289 K)are also reported.In addition,the double exchange model,hybridization,density of states,band structures,exchange constants,exchange energies,and crystal field energies are addressed to ensure ferromagnetism by the spin of electrons.The magnetic moment of Pr shifts to Ca and S/Se sites,revealing that ferromagnetism is due to electron spin,not clustering of Pr magnetic ions.Thermoelectrics were evaluated by electrical conductivity(σ),thermal conductivity(k_(e)),Seebeck coefficient(S),power factor(S^(2)),and figures of merit(ZT).The room tempe rature values of S(0.169,0.183 mV/K)and ZT(0.76,0.90)increase their thermoelectric performance.Furthermore,dielectric function,refractive index,absorption coefficientα(ω),reflectivity R(ω),and other parameters are demonstrated in detail.Therefore,researchers can develop materials with the potential for spintronic and energy harvesting.
基金supported by the National Natural Science Foundation of China(Grant Nos.12175178,12047502,and 12004309)the Major Basic Research Program of Natural Science of Shaanxi Province(Grant No.2017KCT-12)the Natural Science basic Research Program of Shaanxi Province(Grant No.2022KJXX-71)。
文摘We reveal a special subset of non-degenerate Akhmediev breather(AB)solutions of Manakov equations that only exist in the focusing case.Based on exact solutions,we present the existence diagram of such excitations on the frequency-wavenumber plane.Conventional single-frequency modulation instability leads to simultaneous excitation of three ABs with two of them being non-degenerate.
基金Project supported by the National Natural Science Foundation of China (Grant No. 12175179)the Peng Huaiwu Center for Fundamental Theory (Grant No. 12247103)the Natural Science Basic Research Program of Shaanxi Province (Grant Nos. 2021JCW-19 and 2019JQ-863)。
文摘Quantum coherence is a basic concept in quantum mechanics, representing one of the most fundamental characteristics that distinguishes quantum mechanics from classical physics. Quantum coherence is the basis for multi-particle interference and quantum entanglement. It is also the essential ingredient for various physical phenomena in quantum optics, quantum information, etc. In recent years, with the proposal of a quantum coherence measurement scheme based on a resource theory framework, quantum coherence as a quantum resource has been extensively investigated. This article reviews the resource theories of quantum coherence and introduces the important applications of quantum coherence in quantum computing,quantum information, and interdisciplinary fields, particularly in quantum thermodynamics and quantum biology. Quantum coherence and its applications are still being explored and developed. We hope this review can provide inspiration for relevant research.
基金Supported by the National Natural Science Foundation of China under Grant Nos.11675139,11605137,11435006,11405130the Double First-Class University Construction Project of Northwest University+1 种基金the China Postdoctoral Science Foundation under Grant No.2017M623219Shaanxi Postdoctoral Science Foundation
文摘In this note, we recalculate the entropy of the Vaidya black hole on the event horizon by considering the generalized uncertainty principle based on the brick-wall model. The result shows that we need not impose a cut-off by hand anymore and the result satisfies the Bekenstein-Hawking law as well.
