We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonometh...We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonomethyl)-naphthalene-2-ol and 1-pyrenecarboxaldehyde. Especially, the density functional theory(DFT) and time-dependent density functional theory(TDDFT) methods for HNP monomer are introduced. Moreover, the "our own n-layered integrated molecular orbital and molecular mechanics"(ONIOM) method(TDDFT:universal force field(UFF)) is used to reveal the aggregation-induced emission(AIE) effect on the ESIPT process for HNP in crystal. Our results confirm that the ESIPT process happens upon the photoexcitation for the HNP monomer and HNP in crystal, which is distinctly monitored by the optimized geometric structures and the potential energy curves. In addition, the results of potential energy curves reveal that the ESIPT process in HNP will be promoted by the AIE effect. Furthermore, the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital(LUMO) for the HNP monomer and HNP in crystal have been calculated. The calculation demonstrates that the electron density decrease of proton donor caused by excitation promotes the ESIPT process. In addition, we find that the variation of atomic dipole moment corrected Hirshfeld population(ADCH) charge for proton acceptor induced by the AIE effect facilitates the ESIPT process. The results will be expected to deepen the understanding of ESIPT dynamics for luminophore under the AIE effect and provide insight into future design of high-efficient AIE compounds.展开更多
Dear Editor,Idiopathic orbital inflammation(IOI),also known as orbital inflammatory pseudotumor,is a relatively common orbital disorder[1].Its pathogenesis remains unclear,often regarded as a nonspecific immune-mediat...Dear Editor,Idiopathic orbital inflammation(IOI),also known as orbital inflammatory pseudotumor,is a relatively common orbital disorder[1].Its pathogenesis remains unclear,often regarded as a nonspecific immune-mediated response[2].IOI presents with symptoms such as pain,photophobia,proptosis,eyelid swelling,edema,conjunctival congestion,and diplopia,with possible vision loss occurring in some cases.Based on the soft tissue structures involved,IOI can be classified into subtypes such as myositis,optic neuritis,dacryoadenitis,diffuse orbital inflammation,and orbital inflammatory masses[2].展开更多
The problem of maneuvering for a servicing spacecraft(inspector)to inspect a noncooperative spacecraft(evader)in cislunar space is investigated in this paper.The evader,which may be a malfunctioning or uncontrolled sa...The problem of maneuvering for a servicing spacecraft(inspector)to inspect a noncooperative spacecraft(evader)in cislunar space is investigated in this paper.The evader,which may be a malfunctioning or uncontrolled satellite,introduces uncertainties due to its potential maneuvering capabilities.To address this challenge,the scenario is modeled as a special orbital game,incorporating the unique complexities of the cislunar environment.A variable-duration,turn-based inspection and anti-inspection game model is designed.The model defines both players'rules,constraints,and victory conditions,providing a framework for non-cooperative inspection.Strategies for both players are developed and validated based on their dynamical properties.The inspector's strategy integrates two-body Lambert transfers with shooting methods,while the evader's strategy aims to maximize the inspector's fuel consumption.Simulation results show that the evader's optimal strategy involves deliberate fluctuations in its lunar periapsis altitude,with the inspector's requiredΔV up to eight times greater than the evader's.The impact of game constraints is evaluated,and the effectiveness of deploying the inspector in low lunar orbit is compared with the inspector at the Earth-Moon Lagrange point L1.The strengths and weaknesses of both are shown.These findings provide valuable insights for future orbital servicing and orbital games.展开更多
This paper focuses on propagating perturbed two-body motion using orbital elements combined with a novel integration technique.While previous studies show that Modified Chebyshev Picard Iteration(MCPI)is a powerful to...This paper focuses on propagating perturbed two-body motion using orbital elements combined with a novel integration technique.While previous studies show that Modified Chebyshev Picard Iteration(MCPI)is a powerful tool used to propagate position and velocity,the present results show that using orbital elements to propagate the state vector reduces the number of MCPI iterations and nodes required,which is especially useful for reducing the computation time when including computationally-intensive calculations such as Spherical Harmonic gravity,and it also converges for>5.5x as many revolutions using a single segment when compared with cartesian propagation.Results for the Classical Orbital Elements and the Modified Equinoctial Orbital Elements(the latter provides singularity-free solutions)show that state propagation using these variables is inherently well-suited to the propagation method chosen.Additional benefits are achieved using a segmentation scheme,while future expansion to the two-point boundary value problem is expected to increase the domain of convergence compared with the cartesian case.MCPI is an iterative numerical method used to solve linear and nonlinear,ordinary differential equations(ODEs).It is a fusion of orthogonal Chebyshev function approximation with Picard iteration that approximates a long-arc trajectory at every iteration.Previous studies have shown that it outperforms the state of the practice numerical integrators of ODEs in a serial computing environment;since MCPI is inherently massively parallelizable,this capability is expected to increase the computational efficiency of the method presented.展开更多
With the increasing number of geosynchronous orbit satellites with expiring lifetime,spacecraft refueling is crucial in enhancing the economic benefits of on-orbit services.The existing studies tend to be based on pre...With the increasing number of geosynchronous orbit satellites with expiring lifetime,spacecraft refueling is crucial in enhancing the economic benefits of on-orbit services.The existing studies tend to be based on predetermined refueling duration;however,the precise mission scheduling solution will be difficult to apply due to uncertain refueling duration caused by orbital transfer deviations and stochastic actuator faults during actual on-orbit service.Therefore,this paper proposes a robust mission scheduling strategy for geosynchronous orbit spacecraft on-orbit refueling missions with uncertain refueling duration.Firstly,a robust mission scheduling model is constructed by introducing the budget uncertainty set to describe the uncertain refueling duration.Secondly,a hybrid harris hawks optimization algorithm is designed to explore the optimal mission allocation and refueling sequences,which combines cubic chaotic mapping to initialize the population,and the crossover in the genetic algorithm is introduced to enhance global convergence.Finally,the typical simulation examples are constructed with real-mission scenarios in three aspects to analyze:performance comparisons with various algorithms;robustness analyses via comparisons of different on-orbit refueling durations;investigations into the impacts of different initial population strategies on algorithm performance,demonstrating the proposed mission scheduling framework's robustness and effectiveness by comparing it with the exact mission scheduling.展开更多
AIM: To investigate the diffusion changes in both the optic nerve and optic tract in orbital space-occupying lesion patients with decreased visual acuity, and its clinical significance using probabilistic diffusion tr...AIM: To investigate the diffusion changes in both the optic nerve and optic tract in orbital space-occupying lesion patients with decreased visual acuity, and its clinical significance using probabilistic diffusion tractography(PDT). METHODS: Twenty patients with orbital space-occupying lesions and 25 age-and gender-matched healthy persons were included. All patients and controls underwent routine orbital magnetic resonance imaging and diffusion tensor imaging(DTI), using a 3.0 T magnetic resonance scanner(Trio Tim Siemens). After the image data were preprocessed, each DTI parameters of the optic nerve and optic tract was obtained by PDT, including fractional anisotropy(FA), mean diffusivity(MD), axial diffusivity(AD) and radial diffusivity(RD). The asymmetry index(AI) of each parameter was calculated. Compared the parameters of the affected side optic nerve and ipsilateral optic tract with the contralateral side by paired sample t-test;compared AI of parameters of optic nerve and optic tract between the patient group and the control group by independent sample t-test. Patients were divided into threesubgroups according to the low vision grade standard of WHO, compared the FA and AI of FA between the three subgroups by single factor variance analysis. RESULTS: The affected side optic nerve presented significantly decreased FA, increased MD, AD, and RD values compared to the unaffected side(P<0.05). The AI of FA, MD, AD, and RD of optic nerve in the patients was significantly higher than that of the controls(P<0.05). The comparison results of the optic tract showed that there was no significant difference between the patient group and control group in terms of the bilateral optic tracts in patients(P>0.05). The AIs of the FA value of the optic nerve in the eyesight <0.1 subgroup was significantly higher than that in the other groups(P<0.05). CONCLUSION: FA, MD, AD, and RD of the affected side optic nerve of the orbital space-occupying lesions have significantly changed, the FA value is the most sensitive. The PDT could be a useful tool to provide valid quantitative markers of optic nerve injuries and evaluate the severity of orbital diseases, which other examinations cannot be acquired.展开更多
Orbital inflammatory disease(OID) represents a collec tion of inflammatory conditions affecting the orbit. OID is a diagnosis of exclusion, with the differential diagno sis including infection, systemic inflammatory c...Orbital inflammatory disease(OID) represents a collec tion of inflammatory conditions affecting the orbit. OID is a diagnosis of exclusion, with the differential diagno sis including infection, systemic inflammatory conditions and neoplasms, among other conditions. Inflammatory conditions in OID include dacryoadenitis, myositis, cel lulitis, optic perineuritis, periscleritis, orbital apicitis, and a focal mass. Sclerosing orbital inflammation is a rare condition with a chronic, indolent course involving dense fibrosis and lymphocytic infiltrate. Previously though to be along the spectrum of OID, it is now considered a distinct pathologic entity. Imaging plays an importan role in elucidating any underlying etiology behind orbita inflammation and is critical for ruling out other condi tions prior to a definitive diagnosis of OID. In this re view, we will explore the common sites of involvemen by OID and discuss differential diagnosis by site and key imaging findings for each condition.展开更多
In a superconductor embedded with a quantum magnetic impurity,the Kondo effect is involved,leading to the competition between the Kondo singlet phase and the superconductivity phase.By means of the natural orbitals re...In a superconductor embedded with a quantum magnetic impurity,the Kondo effect is involved,leading to the competition between the Kondo singlet phase and the superconductivity phase.By means of the natural orbitals renormalization group(NORG)method,we revisit the problem of a quantum magnetic impurity coupled with a conventional s-wave superconductor.Here we present a detailed study focusing on the impurity spin polarization and susceptibility,the Kondo screening cloud,as well as the number and structures of the active natural orbitals(ANOs).In the superconducting phase,the impurity spin is partially polarized,indicating that the impurity remains partially screened by the quantum fluctuations.Furthermore,the impurity spin susceptibility becomes divergent,resulting from the presence of residual local moment formed at the impurity site.Correspondingly,a non-integral(incomplete)Kondo cloud is formed,although the ground state is a spin doublet in this phase.In comparison,the Kondo cloud is complete in the Kondo singlet phase as expected.We also quantify the critical point,where the quantum phase transition from a Kondo singlet phase to a superconducting phase occurs,which is consistent with that in previous works.On the other hand,it is illustrated that only one ANO emerges in both quantum phases.The structures of the ANO,projected into both the real space and momentum space,are distinct in the Kondo singlet phase from that in the superconducting phase.More specifically,in the Kondo singlet phase,the ANO keeps fully active with half-occupied,and the superconducting gap has negligible influence on its structure.On the contrary,in the superconducting phase,the ANO tends to be inactive and its structure changes significantly as the superconducting gap increases.Additionally,our investigation demonstrates that the NORG method is reliable and convenient to solve the quantum impurity problems in superconductors as well,which will promote further theoretical studies on the Kondo problems in such systems using numerical methods.展开更多
The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-ass...The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-assembly method is used to fabricate controllable MOF-on-MOF multiscale heterostructures,where triangular host MOF(ZIF-67)nanosheets undergo in situ epitaxial growth to form uniform orthogonal vip MOF(CoFe PBA)nanosheets.Phosphorus(P)is further introduced in situ to fabricate CoP and Fe_(2)P heterostructured nanosheets(CoFe-P-NS),which exhibit excellent bifunctional electrocatalytic performance due to the enhancement of intrinsic electrocatalytic activity by p-d orbital hybridization.Specifically,the CoFe-P-NS requires low overpotential of 259 and 307 mV to reach 500 mA cm−2 for HER and OER,respectively.Remarkably,the assembled electrolysis cell maintained a large current density of 300 mA cm−2 for over 360 h with negligible voltage increase during alkaline seawater electrolysis.Experiments and theoretical calculations show that the synergistic catalytic activity of bimetallic phosphides arises from p-d orbital hybridization,where the CoP-P sites enhance HER by optimizing H*adsorption in the Volmer-Heyrovsky steps,while the Fe_(2)P-Fe sites accelerate OER by lowering the energy barrier of the rate-determining step from O*to OOH*.This study provides valuable insights into the design of a controllable MOF-on-MOF-based electrocatalyst toward alkaline seawater splitting.展开更多
Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The ch...Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The chemical and morphological properties of surface highly influence the electrode/electrolyte interfacial reactions.In this study,we have tuned orbital hybridization states forming an interface enriched with sp^(2) hybridized carbon(sp^(2)-C),which decreases the binding energy to solvent molecules and inhibits excessive solvent decomposition during SEI formation.Benefiting from successfully constructed inorganic-rich SEI,the ICE increased to 91%and sodium storage capacity reached 346 mAh/g.Besides,the capacity retention rate was 90.7%after 700 cycles at 1 A/g higher than pristine electrode(83.8%).展开更多
Developing high-performance Ni cathodes and understanding the relationship between electron states of Ni 3d orbital and energy storage mechanism from an atomic-orbital perspective are crucial yet challenging for alkal...Developing high-performance Ni cathodes and understanding the relationship between electron states of Ni 3d orbital and energy storage mechanism from an atomic-orbital perspective are crucial yet challenging for alkaline nickel-zinc batteries.Herein,we innovatively design P-NiMoO_(4)/NiSe_(2)heterostructures with rich oxygen vacancy via a selective component segregation.The P substitution in NiMoO_(4)activate Ni atoms,leading to the spin-state transition of Ni-3d orbitals from high-spin to low-spin,which promote the uniform and rapid nucleation of NiSe_(2)on the surface of NiMoO_(4)during subsequent selenization process.After selenization,the in situ formed P-NiMoO_(4)/NiSe_(2)heterostructures exhibits continuous increased unoccupied states of Ni 3d-orbitals and higher Ni valence state.The synergistic effect of P doping and selenization modulate the d-band center(ɛd)level of Ni 3d,thereby promoting d-p orbital hybridization between Ni 3d and O 2p of OH−as well as OH−adsorption ability.Consequently,the P-NiMoO_(4)/NiSe_(2)exhibits a top-level specific capacity of 390.7 mA h g^(−1)at 1 A g^(−1),2.8-fold higher than that of pristine NiMoO_(4),accompanied by remarkable rate capability and structural stability.Moreover,the assembled pouch-type battery and flexible devices demonstrate the practical application potential.This work provides fundamental insights into orbital-level engineering of battery materials for enhanced redox kinetics and cycling stability.展开更多
The lifetime of a lunar satellite orbit is constrained by the non-spherical nature of the Moon’s gravity field. The orbital lifetime of lunar orbits depends significantly on the initial conditions of the orbit. Right...The lifetime of a lunar satellite orbit is constrained by the non-spherical nature of the Moon’s gravity field. The orbital lifetime of lunar orbits depends significantly on the initial conditions of the orbit. Right ascension of ascending node (Ω) is one of the important orbital parameter affecting the orbital lifetime. In the present work we have analyzed the effect of Ω on the variation of lifetime with altitude for circular lunar orbits. It is found that at a particular initial altitude, a small increase in the altitude results in substantial increase in the orbital lifetime due to effect of the long periodic terms of Earth’s gravity on eccentricity and this transition altitude is different for different Ω. Further, it is observed that the variation of transition altitude with Ω follows a definite, but different trend for orbits with different inclinations. The transition altitude for polar orbits is found to be higher without the effect of Sun and Earth gravity. Variation of transition altitude with orbital inclination is also analyzed. Lifetimes of high altitude circular lunar orbits are analyzed and it is observed that at high altitudes lifetime decreases with altitude.展开更多
Electrodynamics of the one-electron currents due to the circular orbital motion of the electron particle in the hydrogen atom has been examined. The motion is assumed to be induced by the time change of the magnetic f...Electrodynamics of the one-electron currents due to the circular orbital motion of the electron particle in the hydrogen atom has been examined. The motion is assumed to be induced by the time change of the magnetic field in the atom. A characteristic point is that the electric resistance calculated for the motion is independent of the orbit index and its size is similar to that obtained earlier experimentally for the planar free-electron-like structures considered in the integer quantum Hall effect. Other current parameters like conductivity and the relaxation time behave in a way similar to that being typical for metals. A special attention was attached to the relations between the current intensity and magnetic field. A correct reproduction of this field with the aid of the Biot-Savart law became possible when the geometrical microstructure of the electron particle has been explicitly taken into account. But the same microstructure properties do influence also the current velocity. In fact the current suitable for the Biot-Savart law should have a speed characteristic for a spinning electron particle and not that of a spinless electron circulating along the orbit of the original Bohr model.展开更多
Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemi...Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).展开更多
We study the spatiotemporal Bloch states of a high-frequency driven two-component Bose–Einstein condensate(BEC)with spin–orbit coupling(SOC) in an optical lattice. By adopting the rotating-wave approximation(RWA) an...We study the spatiotemporal Bloch states of a high-frequency driven two-component Bose–Einstein condensate(BEC)with spin–orbit coupling(SOC) in an optical lattice. By adopting the rotating-wave approximation(RWA) and applying an exact trial-solution to the corresponding quasistationary system, we establish a different method for tuning SOC via external field such that the existence conditions of the exact particular solutions are fitted. Several novel features related to the exact states are demonstrated; for example, SOC leads to spin–motion entanglement for the spatiotemporal Bloch states, SOC increases the population imbalance of the two-component BEC, and SOC can be applied to manipulate the stable atomic flow which is conducive to control quantum transport of the BEC for different application purposes.展开更多
This paper studies certain estimates for the lower bound of distance between unitary orbits of normal elements.We show that the distance between unitary orbits of normal elements of simple C^(*)-algebras of tracial ra...This paper studies certain estimates for the lower bound of distance between unitary orbits of normal elements.We show that the distance between unitary orbits of normal elements of simple C^(*)-algebras of tracial rank no more than k has a lower bound.Furthermore,if k≤1 and normal elements are commuting,then the lower bound will be better.Another result establishes a connection involving the spectrum distance operator Dc between a C^(*)-algebra of stable rank one C^(*)-algebra and its hereditary C^(*)-subalgebra.展开更多
We show first that an orbit, which is naturally characterized by its eccentricity and semi-latus rectum, can equally be characterized by other sets of parameters, and proceed to determine mass-independent characteriza...We show first that an orbit, which is naturally characterized by its eccentricity and semi-latus rectum, can equally be characterized by other sets of parameters, and proceed to determine mass-independent characterizations. The latter is employed to obtain the laws of equivalent orbits, which by definition have the same eccentricity and orbit’s parameter [1]. These laws relate the values of the same physical observables on two equivalent orbits to the corresponding total mass;they include the laws of velocity, angular velocity, radial velocity, areal velocity, acceleration, period, energy and angular momentum. Regardless of the share of the two bodies of a fixed total mass, the same relative orbit occurs for the same initial conditions. Moreover, the same orbit can be traced by different total masses but with different relative velocities. The concept of a gravitational field generated by a set of masses is shown to be meaningful only when the center of mass is not changed by the test mass. The associated concept of the “nothing”, which is an infinitesimal mass that allows for the property just mentioned to be fulfilled, is introduced and its orbits are determined. The perturbation of the nothing orbits due to its replacement by a finite mass is determined. It is proved that such a replacement can have a qualitative effect resulting in a “phase transition” of an orbit from unbound to bound, and that the nothing’s circular orbits cannot be occupied by any material body. The Galileo law of free fall, on which the equivalence principle hinges and which is exact only for “nothing-like” falling objects, is revised to determine the duration of free fall of a body of an arbitrary mass. The wholeness of Newton’s laws and the associated concept of force as an interaction are highlighted, and some contradictions between the Newtonian laws of equivalent Kepler’s orbits and the general relativistic predictions are discussed. It is demonstrated that Newton’s law of gravitation is not an approximation of Einstein field Equations even in the case of a static weak field. However, both theories have a common limit corresponding to the case in which the alien concept of a field can be incorporated in the Newtonian theory. We also show that the relative velocity’s hodograph [2-4], the alternative Laplace-Runge-Lenz (LRL) vector derived by Hamilton [4-6], as well as an infinite set of LRL vectors, result all from one vector. The hodograph is a proper circular arc for hyperbolic motion, a circle less a point for parabolic motion, and a full circle for bound motion.展开更多
An analytical theory for calculating perturbations of the orbital elements of a satellite due to J2 to accuracy up to fourth power in eccentricity is developed. It is observed that there is significant improvement in ...An analytical theory for calculating perturbations of the orbital elements of a satellite due to J2 to accuracy up to fourth power in eccentricity is developed. It is observed that there is significant improvement in all the orbital elements with the present theory over second-order theory. The theory is used for computing the mean orbital elements, which are found to be more accurate than provided by Bhatnagar and taqvi’s theory (up to second power in eccentricity). Mean elements have a large number of practical applications.展开更多
In this manuscript, the existence of periodic orbits of collision of the first kind has been discussed on the model of Autonomous Four-body Problem by the method of analytic continuation given by Giacaglia [1] and Bha...In this manuscript, the existence of periodic orbits of collision of the first kind has been discussed on the model of Autonomous Four-body Problem by the method of analytic continuation given by Giacaglia [1] and Bhatnagar [2] [3]. For the existence of periodic orbits, Duboshin’s criterion [4] has been satisfied and it has been confirmed by analyzing the Poincare surfaces of section (PSS) [5]. Also it has been shown that the case of collision given by Levi-Civita [6] [7] is conserved by the method analytic continuation. In all sections of this manuscript, equilateral triangular configuration given by Ceccaroni and Biggs [8] has been considered. In this model, third primary of L4 inferior mass (in comparison of the other primaries) is placed at the equilibrium point of the R3BP.展开更多
In this paper we calculate the volume, mass, gravitational attraction to the Earth, angular momentum the orbit of the Trojan asteroid (TK7) [1]. In this paper, we use classical Newtonian mechanics to analyse some of t...In this paper we calculate the volume, mass, gravitational attraction to the Earth, angular momentum the orbit of the Trojan asteroid (TK7) [1]. In this paper, we use classical Newtonian mechanics to analyse some of the physical and orbital properties of the Trojan asteroid, which are still experimentally unknown. The asteroid should remain in Earth’s orbit for the next 100 years. We conclude by providing informed estimates of 2010 TK7’s yet unknown physical properties: i.e. mass, volume, gravitational attraction to Earth and angular momentum.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11574115 and 11704146)
文摘We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonomethyl)-naphthalene-2-ol and 1-pyrenecarboxaldehyde. Especially, the density functional theory(DFT) and time-dependent density functional theory(TDDFT) methods for HNP monomer are introduced. Moreover, the "our own n-layered integrated molecular orbital and molecular mechanics"(ONIOM) method(TDDFT:universal force field(UFF)) is used to reveal the aggregation-induced emission(AIE) effect on the ESIPT process for HNP in crystal. Our results confirm that the ESIPT process happens upon the photoexcitation for the HNP monomer and HNP in crystal, which is distinctly monitored by the optimized geometric structures and the potential energy curves. In addition, the results of potential energy curves reveal that the ESIPT process in HNP will be promoted by the AIE effect. Furthermore, the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital(LUMO) for the HNP monomer and HNP in crystal have been calculated. The calculation demonstrates that the electron density decrease of proton donor caused by excitation promotes the ESIPT process. In addition, we find that the variation of atomic dipole moment corrected Hirshfeld population(ADCH) charge for proton acceptor induced by the AIE effect facilitates the ESIPT process. The results will be expected to deepen the understanding of ESIPT dynamics for luminophore under the AIE effect and provide insight into future design of high-efficient AIE compounds.
基金Supported by the National Natural Science Foundation of China(No.82388101,No.81930024)the Science and Technology Commission of Shanghai(No.22YS1400400,No.20DZ2270800).
文摘Dear Editor,Idiopathic orbital inflammation(IOI),also known as orbital inflammatory pseudotumor,is a relatively common orbital disorder[1].Its pathogenesis remains unclear,often regarded as a nonspecific immune-mediated response[2].IOI presents with symptoms such as pain,photophobia,proptosis,eyelid swelling,edema,conjunctival congestion,and diplopia,with possible vision loss occurring in some cases.Based on the soft tissue structures involved,IOI can be classified into subtypes such as myositis,optic neuritis,dacryoadenitis,diffuse orbital inflammation,and orbital inflammatory masses[2].
基金supported by the National Key R&D Pro-gram of China:Gravitational Wave Detection Project(Nos.2021YFC2026,2021YFC2202601,2021YFC2202603)the National Natural Science Foundation of China(Nos.12172288 and 12472046)。
文摘The problem of maneuvering for a servicing spacecraft(inspector)to inspect a noncooperative spacecraft(evader)in cislunar space is investigated in this paper.The evader,which may be a malfunctioning or uncontrolled satellite,introduces uncertainties due to its potential maneuvering capabilities.To address this challenge,the scenario is modeled as a special orbital game,incorporating the unique complexities of the cislunar environment.A variable-duration,turn-based inspection and anti-inspection game model is designed.The model defines both players'rules,constraints,and victory conditions,providing a framework for non-cooperative inspection.Strategies for both players are developed and validated based on their dynamical properties.The inspector's strategy integrates two-body Lambert transfers with shooting methods,while the evader's strategy aims to maximize the inspector's fuel consumption.Simulation results show that the evader's optimal strategy involves deliberate fluctuations in its lunar periapsis altitude,with the inspector's requiredΔV up to eight times greater than the evader's.The impact of game constraints is evaluated,and the effectiveness of deploying the inspector in low lunar orbit is compared with the inspector at the Earth-Moon Lagrange point L1.The strengths and weaknesses of both are shown.These findings provide valuable insights for future orbital servicing and orbital games.
文摘This paper focuses on propagating perturbed two-body motion using orbital elements combined with a novel integration technique.While previous studies show that Modified Chebyshev Picard Iteration(MCPI)is a powerful tool used to propagate position and velocity,the present results show that using orbital elements to propagate the state vector reduces the number of MCPI iterations and nodes required,which is especially useful for reducing the computation time when including computationally-intensive calculations such as Spherical Harmonic gravity,and it also converges for>5.5x as many revolutions using a single segment when compared with cartesian propagation.Results for the Classical Orbital Elements and the Modified Equinoctial Orbital Elements(the latter provides singularity-free solutions)show that state propagation using these variables is inherently well-suited to the propagation method chosen.Additional benefits are achieved using a segmentation scheme,while future expansion to the two-point boundary value problem is expected to increase the domain of convergence compared with the cartesian case.MCPI is an iterative numerical method used to solve linear and nonlinear,ordinary differential equations(ODEs).It is a fusion of orthogonal Chebyshev function approximation with Picard iteration that approximates a long-arc trajectory at every iteration.Previous studies have shown that it outperforms the state of the practice numerical integrators of ODEs in a serial computing environment;since MCPI is inherently massively parallelizable,this capability is expected to increase the computational efficiency of the method presented.
基金co-supported by the National Natural Science Foundation of China(Nos.62473110,62403166)the Fundamental Research Funds for the Central Universities,China(No.2023FRFK02043)+1 种基金the Natural Science Foundation of Heilongjiang Province,China(No.LH2022F023)the National Key Laboratory of Space Intelligent Control Foundation,China(No.2023-JCJQ-LB-006-19)。
文摘With the increasing number of geosynchronous orbit satellites with expiring lifetime,spacecraft refueling is crucial in enhancing the economic benefits of on-orbit services.The existing studies tend to be based on predetermined refueling duration;however,the precise mission scheduling solution will be difficult to apply due to uncertain refueling duration caused by orbital transfer deviations and stochastic actuator faults during actual on-orbit service.Therefore,this paper proposes a robust mission scheduling strategy for geosynchronous orbit spacecraft on-orbit refueling missions with uncertain refueling duration.Firstly,a robust mission scheduling model is constructed by introducing the budget uncertainty set to describe the uncertain refueling duration.Secondly,a hybrid harris hawks optimization algorithm is designed to explore the optimal mission allocation and refueling sequences,which combines cubic chaotic mapping to initialize the population,and the crossover in the genetic algorithm is introduced to enhance global convergence.Finally,the typical simulation examples are constructed with real-mission scenarios in three aspects to analyze:performance comparisons with various algorithms;robustness analyses via comparisons of different on-orbit refueling durations;investigations into the impacts of different initial population strategies on algorithm performance,demonstrating the proposed mission scheduling framework's robustness and effectiveness by comparing it with the exact mission scheduling.
基金Supported by the National Natural Science Foundation of China (No.81471649)Beijing Municipal Science and Technology Commission (No. Z171100000117001)
文摘AIM: To investigate the diffusion changes in both the optic nerve and optic tract in orbital space-occupying lesion patients with decreased visual acuity, and its clinical significance using probabilistic diffusion tractography(PDT). METHODS: Twenty patients with orbital space-occupying lesions and 25 age-and gender-matched healthy persons were included. All patients and controls underwent routine orbital magnetic resonance imaging and diffusion tensor imaging(DTI), using a 3.0 T magnetic resonance scanner(Trio Tim Siemens). After the image data were preprocessed, each DTI parameters of the optic nerve and optic tract was obtained by PDT, including fractional anisotropy(FA), mean diffusivity(MD), axial diffusivity(AD) and radial diffusivity(RD). The asymmetry index(AI) of each parameter was calculated. Compared the parameters of the affected side optic nerve and ipsilateral optic tract with the contralateral side by paired sample t-test;compared AI of parameters of optic nerve and optic tract between the patient group and the control group by independent sample t-test. Patients were divided into threesubgroups according to the low vision grade standard of WHO, compared the FA and AI of FA between the three subgroups by single factor variance analysis. RESULTS: The affected side optic nerve presented significantly decreased FA, increased MD, AD, and RD values compared to the unaffected side(P<0.05). The AI of FA, MD, AD, and RD of optic nerve in the patients was significantly higher than that of the controls(P<0.05). The comparison results of the optic tract showed that there was no significant difference between the patient group and control group in terms of the bilateral optic tracts in patients(P>0.05). The AIs of the FA value of the optic nerve in the eyesight <0.1 subgroup was significantly higher than that in the other groups(P<0.05). CONCLUSION: FA, MD, AD, and RD of the affected side optic nerve of the orbital space-occupying lesions have significantly changed, the FA value is the most sensitive. The PDT could be a useful tool to provide valid quantitative markers of optic nerve injuries and evaluate the severity of orbital diseases, which other examinations cannot be acquired.
文摘Orbital inflammatory disease(OID) represents a collec tion of inflammatory conditions affecting the orbit. OID is a diagnosis of exclusion, with the differential diagno sis including infection, systemic inflammatory conditions and neoplasms, among other conditions. Inflammatory conditions in OID include dacryoadenitis, myositis, cel lulitis, optic perineuritis, periscleritis, orbital apicitis, and a focal mass. Sclerosing orbital inflammation is a rare condition with a chronic, indolent course involving dense fibrosis and lymphocytic infiltrate. Previously though to be along the spectrum of OID, it is now considered a distinct pathologic entity. Imaging plays an importan role in elucidating any underlying etiology behind orbita inflammation and is critical for ruling out other condi tions prior to a definitive diagnosis of OID. In this re view, we will explore the common sites of involvemen by OID and discuss differential diagnosis by site and key imaging findings for each condition.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12104247 and 11934020)。
文摘In a superconductor embedded with a quantum magnetic impurity,the Kondo effect is involved,leading to the competition between the Kondo singlet phase and the superconductivity phase.By means of the natural orbitals renormalization group(NORG)method,we revisit the problem of a quantum magnetic impurity coupled with a conventional s-wave superconductor.Here we present a detailed study focusing on the impurity spin polarization and susceptibility,the Kondo screening cloud,as well as the number and structures of the active natural orbitals(ANOs).In the superconducting phase,the impurity spin is partially polarized,indicating that the impurity remains partially screened by the quantum fluctuations.Furthermore,the impurity spin susceptibility becomes divergent,resulting from the presence of residual local moment formed at the impurity site.Correspondingly,a non-integral(incomplete)Kondo cloud is formed,although the ground state is a spin doublet in this phase.In comparison,the Kondo cloud is complete in the Kondo singlet phase as expected.We also quantify the critical point,where the quantum phase transition from a Kondo singlet phase to a superconducting phase occurs,which is consistent with that in previous works.On the other hand,it is illustrated that only one ANO emerges in both quantum phases.The structures of the ANO,projected into both the real space and momentum space,are distinct in the Kondo singlet phase from that in the superconducting phase.More specifically,in the Kondo singlet phase,the ANO keeps fully active with half-occupied,and the superconducting gap has negligible influence on its structure.On the contrary,in the superconducting phase,the ANO tends to be inactive and its structure changes significantly as the superconducting gap increases.Additionally,our investigation demonstrates that the NORG method is reliable and convenient to solve the quantum impurity problems in superconductors as well,which will promote further theoretical studies on the Kondo problems in such systems using numerical methods.
基金financial support of the National Natural Science Foundation of China (21875247,21072221, 21172252)the Project of Talent Cultivation for Carbon Peak and Carbon Neutrality of the University of Chinese of Academy of Science
文摘The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-assembly method is used to fabricate controllable MOF-on-MOF multiscale heterostructures,where triangular host MOF(ZIF-67)nanosheets undergo in situ epitaxial growth to form uniform orthogonal vip MOF(CoFe PBA)nanosheets.Phosphorus(P)is further introduced in situ to fabricate CoP and Fe_(2)P heterostructured nanosheets(CoFe-P-NS),which exhibit excellent bifunctional electrocatalytic performance due to the enhancement of intrinsic electrocatalytic activity by p-d orbital hybridization.Specifically,the CoFe-P-NS requires low overpotential of 259 and 307 mV to reach 500 mA cm−2 for HER and OER,respectively.Remarkably,the assembled electrolysis cell maintained a large current density of 300 mA cm−2 for over 360 h with negligible voltage increase during alkaline seawater electrolysis.Experiments and theoretical calculations show that the synergistic catalytic activity of bimetallic phosphides arises from p-d orbital hybridization,where the CoP-P sites enhance HER by optimizing H*adsorption in the Volmer-Heyrovsky steps,while the Fe_(2)P-Fe sites accelerate OER by lowering the energy barrier of the rate-determining step from O*to OOH*.This study provides valuable insights into the design of a controllable MOF-on-MOF-based electrocatalyst toward alkaline seawater splitting.
基金support from the Heilongjiang Province"Double First Class"Discipline Collaborative Innovation Project(No.LJGXCG2023-061).
文摘Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The chemical and morphological properties of surface highly influence the electrode/electrolyte interfacial reactions.In this study,we have tuned orbital hybridization states forming an interface enriched with sp^(2) hybridized carbon(sp^(2)-C),which decreases the binding energy to solvent molecules and inhibits excessive solvent decomposition during SEI formation.Benefiting from successfully constructed inorganic-rich SEI,the ICE increased to 91%and sodium storage capacity reached 346 mAh/g.Besides,the capacity retention rate was 90.7%after 700 cycles at 1 A/g higher than pristine electrode(83.8%).
基金supported by the National Natural Science Foundation of China (Grant no. 22209083)
文摘Developing high-performance Ni cathodes and understanding the relationship between electron states of Ni 3d orbital and energy storage mechanism from an atomic-orbital perspective are crucial yet challenging for alkaline nickel-zinc batteries.Herein,we innovatively design P-NiMoO_(4)/NiSe_(2)heterostructures with rich oxygen vacancy via a selective component segregation.The P substitution in NiMoO_(4)activate Ni atoms,leading to the spin-state transition of Ni-3d orbitals from high-spin to low-spin,which promote the uniform and rapid nucleation of NiSe_(2)on the surface of NiMoO_(4)during subsequent selenization process.After selenization,the in situ formed P-NiMoO_(4)/NiSe_(2)heterostructures exhibits continuous increased unoccupied states of Ni 3d-orbitals and higher Ni valence state.The synergistic effect of P doping and selenization modulate the d-band center(ɛd)level of Ni 3d,thereby promoting d-p orbital hybridization between Ni 3d and O 2p of OH−as well as OH−adsorption ability.Consequently,the P-NiMoO_(4)/NiSe_(2)exhibits a top-level specific capacity of 390.7 mA h g^(−1)at 1 A g^(−1),2.8-fold higher than that of pristine NiMoO_(4),accompanied by remarkable rate capability and structural stability.Moreover,the assembled pouch-type battery and flexible devices demonstrate the practical application potential.This work provides fundamental insights into orbital-level engineering of battery materials for enhanced redox kinetics and cycling stability.
文摘The lifetime of a lunar satellite orbit is constrained by the non-spherical nature of the Moon’s gravity field. The orbital lifetime of lunar orbits depends significantly on the initial conditions of the orbit. Right ascension of ascending node (Ω) is one of the important orbital parameter affecting the orbital lifetime. In the present work we have analyzed the effect of Ω on the variation of lifetime with altitude for circular lunar orbits. It is found that at a particular initial altitude, a small increase in the altitude results in substantial increase in the orbital lifetime due to effect of the long periodic terms of Earth’s gravity on eccentricity and this transition altitude is different for different Ω. Further, it is observed that the variation of transition altitude with Ω follows a definite, but different trend for orbits with different inclinations. The transition altitude for polar orbits is found to be higher without the effect of Sun and Earth gravity. Variation of transition altitude with orbital inclination is also analyzed. Lifetimes of high altitude circular lunar orbits are analyzed and it is observed that at high altitudes lifetime decreases with altitude.
文摘Electrodynamics of the one-electron currents due to the circular orbital motion of the electron particle in the hydrogen atom has been examined. The motion is assumed to be induced by the time change of the magnetic field in the atom. A characteristic point is that the electric resistance calculated for the motion is independent of the orbit index and its size is similar to that obtained earlier experimentally for the planar free-electron-like structures considered in the integer quantum Hall effect. Other current parameters like conductivity and the relaxation time behave in a way similar to that being typical for metals. A special attention was attached to the relations between the current intensity and magnetic field. A correct reproduction of this field with the aid of the Biot-Savart law became possible when the geometrical microstructure of the electron particle has been explicitly taken into account. But the same microstructure properties do influence also the current velocity. In fact the current suitable for the Biot-Savart law should have a speed characteristic for a spinning electron particle and not that of a spinless electron circulating along the orbit of the original Bohr model.
文摘Surface chemistry plays a critical role in the fields of electrochemistry,heterogeneous catalysis,adsorption,etc.[1–4].The representative D-band center theory reported through Hammer and Nørskov in surface chemistry has been widely used in early studies to predict adsorption strength[5,6].Generally,the adsorption strength of active sites correlates inversely with the downward shift of the D-band center(εd)relative to the Fermi level,as lower-energy positioning increases anti-bonding orbital occupancy,weakening surface interactions(Fig.1(a)).
基金Project supported by the National Natural Science Foundation of China(Grant No.11475060)
文摘We study the spatiotemporal Bloch states of a high-frequency driven two-component Bose–Einstein condensate(BEC)with spin–orbit coupling(SOC) in an optical lattice. By adopting the rotating-wave approximation(RWA) and applying an exact trial-solution to the corresponding quasistationary system, we establish a different method for tuning SOC via external field such that the existence conditions of the exact particular solutions are fitted. Several novel features related to the exact states are demonstrated; for example, SOC leads to spin–motion entanglement for the spatiotemporal Bloch states, SOC increases the population imbalance of the two-component BEC, and SOC can be applied to manipulate the stable atomic flow which is conducive to control quantum transport of the BEC for different application purposes.
基金Supported by Zhejiang Provincial Natural Science Foundation of China(No.ZCLQN25A0103)。
文摘This paper studies certain estimates for the lower bound of distance between unitary orbits of normal elements.We show that the distance between unitary orbits of normal elements of simple C^(*)-algebras of tracial rank no more than k has a lower bound.Furthermore,if k≤1 and normal elements are commuting,then the lower bound will be better.Another result establishes a connection involving the spectrum distance operator Dc between a C^(*)-algebra of stable rank one C^(*)-algebra and its hereditary C^(*)-subalgebra.
文摘We show first that an orbit, which is naturally characterized by its eccentricity and semi-latus rectum, can equally be characterized by other sets of parameters, and proceed to determine mass-independent characterizations. The latter is employed to obtain the laws of equivalent orbits, which by definition have the same eccentricity and orbit’s parameter [1]. These laws relate the values of the same physical observables on two equivalent orbits to the corresponding total mass;they include the laws of velocity, angular velocity, radial velocity, areal velocity, acceleration, period, energy and angular momentum. Regardless of the share of the two bodies of a fixed total mass, the same relative orbit occurs for the same initial conditions. Moreover, the same orbit can be traced by different total masses but with different relative velocities. The concept of a gravitational field generated by a set of masses is shown to be meaningful only when the center of mass is not changed by the test mass. The associated concept of the “nothing”, which is an infinitesimal mass that allows for the property just mentioned to be fulfilled, is introduced and its orbits are determined. The perturbation of the nothing orbits due to its replacement by a finite mass is determined. It is proved that such a replacement can have a qualitative effect resulting in a “phase transition” of an orbit from unbound to bound, and that the nothing’s circular orbits cannot be occupied by any material body. The Galileo law of free fall, on which the equivalence principle hinges and which is exact only for “nothing-like” falling objects, is revised to determine the duration of free fall of a body of an arbitrary mass. The wholeness of Newton’s laws and the associated concept of force as an interaction are highlighted, and some contradictions between the Newtonian laws of equivalent Kepler’s orbits and the general relativistic predictions are discussed. It is demonstrated that Newton’s law of gravitation is not an approximation of Einstein field Equations even in the case of a static weak field. However, both theories have a common limit corresponding to the case in which the alien concept of a field can be incorporated in the Newtonian theory. We also show that the relative velocity’s hodograph [2-4], the alternative Laplace-Runge-Lenz (LRL) vector derived by Hamilton [4-6], as well as an infinite set of LRL vectors, result all from one vector. The hodograph is a proper circular arc for hyperbolic motion, a circle less a point for parabolic motion, and a full circle for bound motion.
文摘An analytical theory for calculating perturbations of the orbital elements of a satellite due to J2 to accuracy up to fourth power in eccentricity is developed. It is observed that there is significant improvement in all the orbital elements with the present theory over second-order theory. The theory is used for computing the mean orbital elements, which are found to be more accurate than provided by Bhatnagar and taqvi’s theory (up to second power in eccentricity). Mean elements have a large number of practical applications.
文摘In this manuscript, the existence of periodic orbits of collision of the first kind has been discussed on the model of Autonomous Four-body Problem by the method of analytic continuation given by Giacaglia [1] and Bhatnagar [2] [3]. For the existence of periodic orbits, Duboshin’s criterion [4] has been satisfied and it has been confirmed by analyzing the Poincare surfaces of section (PSS) [5]. Also it has been shown that the case of collision given by Levi-Civita [6] [7] is conserved by the method analytic continuation. In all sections of this manuscript, equilateral triangular configuration given by Ceccaroni and Biggs [8] has been considered. In this model, third primary of L4 inferior mass (in comparison of the other primaries) is placed at the equilibrium point of the R3BP.
文摘In this paper we calculate the volume, mass, gravitational attraction to the Earth, angular momentum the orbit of the Trojan asteroid (TK7) [1]. In this paper, we use classical Newtonian mechanics to analyse some of the physical and orbital properties of the Trojan asteroid, which are still experimentally unknown. The asteroid should remain in Earth’s orbit for the next 100 years. We conclude by providing informed estimates of 2010 TK7’s yet unknown physical properties: i.e. mass, volume, gravitational attraction to Earth and angular momentum.
