Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF

The photo-dissociation dynamics of LiF is investigated with newly constructed accurate ab initio potential energy curves （PECs） using the time-dependent quantum wave packet method. The oscillations and decay of the wave packet on the adiabats as a function of time are given, which can be compared with the femtosecond transition-state （FTS） spectroscopy. The photo-absorption spectra and the kinetic-energy distribution of the dissociation fragments, which can exhibit the vibration-level structure and the dispersion of the wave packet, respectively, are also obtained. The investigation shows a blue shift of the band center for the photo-absorption spectrum and multiple peaks in the kinetic-energy spectrum with increasing laser intensity, which can be attributed to external field effects. By analyzing the oscillations of the wave packet evolving on the upper adiabat, an approximate inversion scheme is devised to roughly deduce its shape.

CURVATURE RELATION OF WAVE FRONT AND WAVE CHANGING IN EXTERNAL FIELD

The changing of wave structure in excitable media in extemal field is studied and the curvature relation of wave front is analyzed. Under external stimulus the normal velocity of wave front has linear relation with mean curvature of wave front, plane velocity and external field. The simulation methods have been used to analyze BarEiswirth model with extemal field and obtain the wave pattern of excitable media contained external stimulus. These theoretical analysis and simulation results are identical with experiments of BZ reaction. So the results here theoretically explain the BZ phenomenon under extemal field and the simulation results here have rich wave pattems.

Mass transport model of ions within biofilms under the effect of external field

A mass transport model was developed to predict the transport rate of ions within biofilms, which was experimentally verified using the fluxes of NH4^＋ and Ca^2＋ through the heterotrophic biofilms with the thickness varying from 230 to 1430μm under the effect of external field in the range of-20 V/m to 60 V/m. It is found that the result predicted by the model is in agreement with the experimentally obtained one, with the error less than 5 percent for the thin biofilms. The error increases with the increase of the biofilm thickness. The transport rate of ions caused by electric migration is affected by the charges, field strength, and biofilm thickness and so on.

Effects of classical random external field on the dynamics of entanglement in a four-qubit system

We investigate the dynamics of entanglement through negativity and witness operators in a system of four noninteracting qubits driven by a classical phase noisy laser characterized by a classical random external field(CREF).The qubits are initially prepared in the GHZ-type and W-type states and interact with the CREF in two different qubit-field configurations,namely,common environment and independent environments in which the cases of equal and different field phase probabilities are distinguished.We find that entanglement exhibits different decaying behavior,depending on the input states of the qubits,the qubit-field coupling configuration,and field phase probabilities.On the one hand,we demonstrate that the coupling of the qubits in a common environment is an alternative and more efficient strategy to completely shield the system from the detrimental impacts of the decoherence process induced by a CREF,independent of the input state and the field phase probabilities considered.Also,we show that GHZ-type states have strong dynamics under CREF as compared to W-type states.On the other hand,we demonstrate that in the model investigated the system robustness’s can be greatly improved by increasing the number of qubits constituting the system.

Effects of vacancy and external electric field on the electronic properties of the MoSi_(2)N_(4)/graphene heterostructure

Recently,the newly synthesized septuple-atomic layer two-dimensional(2D)material MoSi_(2)N_(4)(MSN)has attracted attention worldwide.Our work delves into the effect of vacancies and external electric fields on the electronic properties of the MSN/graphene(Gr)heterostructure using first-principles calculation.We find that four types of defective structures,N-in,N-out,Si and Mo vacancy defects of monolayer MSN and MSN/Gr heterostructure are stable in air.Moreover,vacancy defects can effectively modulate the charge transfer at the interface of the MSN/Gr heterostructure as well as the work function of the pristine monolayer MSN and MSN/Gr heterostructure.Finally,the application of an external electric field enables the dynamic switching between n-type and p-type Schottky contacts.Our work may offer the possibility of exceeding the capabilities of conventional Schottky diodes based on MSN/Gr heterostructures.

Effect of external magnetic field on the instability of THz plasma waves in nanoscale graphene field-effect transistors

The instability of plasma waves in the channel of field-effect transistors will cause the electromagnetic waves with THz frequency.Based on a self-consistent quantum hydrodynamic model,the instability of THz plasmas waves in the channel of graphene field-effect transistors has been investigated with external magnetic field and quantum effects.We analyzed the influence of weak magnetic fields,quantum effects,device size,and temperature on the instability of plasma waves under asymmetric boundary conditions numerically.The results show that the magnetic fields,quantum effects,and the thickness of the dielectric layer between the gate and the channel can increase the radiation frequency.Additionally,we observed that increase in temperature leads to a decrease in both oscillation frequency and instability increment.The numerical results and accompanying images obtained from our simulations provide support for the above conclusions.

External field–assisted batteries toward performance improvement

Rechargeable batteries are essential for the increased demand for energy storage technologies due to their ability to adapt intermittent renewable energies into electric devices,such as electric vehicles.To boost the battery performance,applying external fields to assist the electrochemical process has been developed and exhibits significant merits in energy efficiency and cycle stability enhancement.This perspective focuses on recent advances in the development of external field–assisted battery technologies,including photo-assisted,magnetic field–assisted,sound field–assisted,and multiple field–assisted.The workingmechanisms of external field–assisted batteries and their challenges and opportunities are highlighted.

Hydrogel-based catalysts for hydrogen generation by the hydrolysis of B–H compounds under external physical fields

Hydrogen is a popular clean high-energy-density fuel.However,its utilization is limited by the challenges toward low-cost hydrogen production and safe hydrogen storage.Fortunately,these issues can be addressed using promising hydrogen storage materials such as B–H compounds.Hydrogen stored in B–H compounds can be released by hydrolysis at room temperature,which requires catalysts to increase the rate of the reaction.Recently,several effective approaches have been developed for hydrogen generation by catalyzing the hydrolysis of B–H compounds.This review summarizes the existing research on the use of nanoparticles loaded on hydrogels as catalysts for the hydrolysis of B–H compounds.First,the factors affecting the hydrolysis rate,such as temperature,p H,reactant concentration,and type of nano particles,were investigated.Further,the preparation methods(in situ reduction,one-pot method,template adsorption,etc.)for the hydrogel catalysts and the types of loaded catalysts were determined.Additionally,the hydrogel catalysts that can respond to magnetic fields,ultrasound fields,optical fields,and other physical fields are introduced.Finally,the issues and future developments of hydrogel-based catalysts are discussed.This review can inspire deeper investigations and provide guidance for the study of hydrogel catalysts in the field of hydrogen production via hydrolysis.

Greatly Enhanced Methanol Oxidation Reaction of CoPt Truncated Octahedral Nanoparticles by External Magnetic Fields

Tunable behavior in electrocatalysis by external multifields,such as magnetic field,thermal field,and electric field,is the most promising strategy to expand the theory,design,and synthesis of state-of-the-art catalysts and the cell in the near future.Here,a systematic investigation for the effect of external magnetic field and thermal field on methanol oxidation reactions(MOR)in magnetic nanoparticles is reported.For Co_(42)Pt_(58)truncated octahedral nanoparticles(TONPs),the catalytic performance in MOR is greatly increased to the maximum of 14.1%by applying a magnetic field up to 3000 Oe,and it shows a monotonical increase with increasing working temperature.The magnetic enhanced effect is closely related to the Co content of Co_(x)Pt_(100-x)TONPs.Furthermore,the enhancement effect under a magnetic field is more obvious for Co_(42)Pt_(58)TONPs annealed at 650℃.First-principle calculation points out that the magnetic fields can facilitate the dehydrogenation of both methanol and water by suppression of entropy of the electron spin and lowering of the activation barrier,where OH_(ad)intermediates on Co sites play a more important role.The application of magnetic fields together with thermal fields in MOR provides a new prospect to manipulate the performance of direct methanol fuel cells,which will accelerate their potential applications.

Study on Multi-Scale Tensile Strength and Tensile Strain of Calcium Silicate Hydrate Layered Nanocomposites Under External Physical Field

Calcium silicate hydrate(C-S-H)is the mainly strength source of cement-based materials,but there is little basic research.In this paper,molecular dynamics method is applied to analyze the multi-scale tensile strength and tensile strain of C-S-H layered materials under the condition of external physical fields(temperature and strain rate).The results show that the tensile strength and strain of C-S-H model decrease with temperature raises.The temperature(from 1 K to 600 K)has obvious influence on the tensile strain and strength of C-S-H layered materials.In addition,at(0.00025 ps^(-1)-0.001 ps^(-1)),the tensile strain and strength of C-S-H layered materials are less sensitive to strain rate.The whole model is closer to a 3-dimensional deformation.However,at(0.001 ps^(-1)-0.005 ps^(-1)),the dynamic load effect begins to increase,and the work done by the load per unit time increased.The tensile strain and strength of C-S-H layered materials indicates intensified by the change of strain rate.The energies are randomly distributed in the system,not concentrated in a certain area.

Influence of upstream solar wind on magnetic field distribution in the Martian nightside ionosphere

Using over eight years of Mars Atmosphere and Volatile Evolutio N(MAVEN)data,from November 2014 to May 2023,we have investigated the Martian nightside ionospheric magnetic field distribution under the influence of upstream solar wind drivers,including the interplanetary magnetic field intensity(∣BIMF∣),solar wind dynamic pressure(PS W),solar extreme ultraviolet flux(EUV),and Martian seasons(L s).Our analysis reveals pronounced correlations between magnetic field residuals and both∣BIMF∣and PS W.Correlations observed with EUV flux and Ls were weaker—notably,magnetic field residuals increased during periods of high EUV flux and at Mars perihelion.We find that the IMF penetrates to an altitude of 200 km under a wide range of upstream conditions,penetrating notably deeper under high∣BIMF∣andPSWconditions.Our analysis also indicates that EUV flux and IMF cone angle have minimal impact on IMF penetration depth.Those findings provide useful constraints on the dynamic nature of Martian atmospheric escape processes and their evolution,suggesting that historical solar wind conditions may have facilitated deeper IMF penetration and higher rates of ionospheric escape than are observed now.Moreover,by establishing criteria for magnetic‘quiet’conditions,this study offers new insights into the planet’s magnetic environment under varying solar wind influences,knowledge that should help refine models of the Martian crustal magnetic field.

Explicit Piecewise Smooth Solutions of Landau-Lifshitz Equation with Discontinuous External Field

In this paper, we shall construct some explicit piecewise smooth （global continuous） solutions as well as blow up solutions to the multidimensional Landau-Lifshitz equation, subject to the external magnetic fields being both discontinuous and unbounded. When the external magnetic field is continuous, some explicit exact smooth solutions and blow up solution are also constructed. We also establish some necessary and sufficient conditions to ensure that the solution of multidimensional Landau-Lifshitz equation with external magnetic field converges to the solution of equation without external magnetic field when the external magnetic field tends to zero.

Elastic line deformed on a pseudo-hypersurface by an external field in pseudo-Euclidean spaces

We derive intrinsic formulation for elastic line deformed on a pseudo-hypersurface by an external field in the pseudo-Euclidean spaces E_v^n.This formulation determines elastic line deformed on a pseudo-hypersurface.

Modification of single molecule fluorescence using external fields

Controlling and manipulating the fluorescence of single fluorophores is of great interest in recent years for its potential uses in improving the performance of molecular photonics and molecular electronics, such as in organic light-emitting devices, single photon sources, organic field-effect transistors, and probes or sensors based on single molecules. This review shows how the fluorescence emission of single organic molecules can be modified using local electromagnetic fields of metallic nanostructures and electric-field-induced electron transfer. Electric-field-induced fluorescence modulation, hysteresis, and the achievement of fluorescence switch are discussed in detail.

External field-strengthened Ostwald nanowelding

The accomplishment of nanowelding typically requires the input of high energy,possibly causing appreciable damages to the brittle nanomaterial.Herein,we report an external field(EF,i.e.,light,direct current(DC),and alternating current(AC))-strengthened Ostwald nanowelding(ONW)strategy to enable low-temperature nanowelding of Au nanoparticles(NPs)with nanoscale spacing in solution and propose an electron localization mechanism to understand it.We reveal that the EF-derived local electrons not only greatly strengthen the dissolution of surface atoms and the reduction of Au3+ions dissolved,but also confine(together with ordered water molecules)the transport of Au^(3+)ions within the nanogap.Consequently,the electrochemical Ostwald ripening(OR)process of the Au NPs is actively strengthened,which,along with the local electron-strengthened surface atom diffusion(as a result of the strong electrostatic repulsion created),enables feasible ONW for solution processing of interdigital electrodes(IDEs)from Au NPs and high-performance transparent conductor(TC)from Ag nanowires(NWs).Our low-temperature nanowelding strategy offers an efficient interconnection technique for the processing of functional nanodevices from individual nanomaterials.

Effect of external field on phase behavior of ternary systems involving polypeptide

The lattice theory regarding ternary systems involving a conformationally variable polypeptide and a randomly coiled polymer presented recently is extended to the case where an external orientational field is present.Chemical potentials of the components in the isotropic and anisotropic phases were obtained.The calculations carried out show that the external field exerts a marked effect on the phase behavior of the ternary systems.The isotropic-anisotropic biphasic gap is predicted to shift to lower polymer concentrations and become narrower when the external field exists.The entrance of the randomly coiled polymers into the anisotropic phase is promoted.Influences of chain conformation of polypeptide,chain length and temperature have been studied in the presence of the external field.The comparison between theory and experimental results was also carried out.

Si_2O_2 molecule:structure of ground state and the excited properties under different external electric fields

Geometry and vibrational frequencies of the ground state of Si2O2 molecule are studied using density function theory （DFT） at the level of cc-pvtz and 6-311-k＋G^＊＊. It is found that the optimizing value by B31yp/cc-pvtz is closer to the experimental data. The excited properties under different external electric fields are also investigated by the time-dependent-DFT method. Transitions from the ground state of Si2O2 molecule to the first singlet state under different external electric fields can take place more easily. The corresponding absorption spectral line is about 360 nm in wavelength and the excitation energy is about 3.4 eV.

Effect of an external electric field on liquid water using molecular dynamics simulation with a flexible potential

Molecular dynamics simulations of liquid water were performed at 258 K and density of 1.0 g/cm^3 under different strengths of an external electric field, ranging from 0 to 8.0×10^9V/m, to investigate the influence of an external field on structural and dynamic properties of water. The flexible simple point charge model is used for water molecules. An enhancement of the water hydrogen bond structure with increasing strength of the electric field has been deduced from the radial distribution functions and the analysis of hydrogen bond structure. With increasing field strength, water system has a more perfect structure, which is shnilar to ice structure. However, the electrofreezing phenomenon of liquid water has not been detected because of a too large self-diffusion coefficient. The self-diffusion coefficient decreases remarkably with increasing strength of electric field, and the self-diffusion coefficient is anisotropic.

The Analytical Potential Energy Function of NH Radical Molecule in External Electric Field

The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD （T） method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.

Properties of a Si_2N molecule under an external electric field

In the present work,we adopt the ccsd/6-31g（d） method to optimize the ground state structure and calculate the vibrational frequency of the Si2N molecule.The calculated frequencies accord satisfactorily with the experimental values,which helps confirm the ground state structure of the molecule.In order to find how the external electric field affects the Si2N molecule,we use the density functional method B3P86/6-31g（d） to optimize the ground state structure and the time-dependent density functional theory TDDFT/6-31g（d） to study the absorption spectra,the excitation energies,the oscillator strengths,and the dipole moments of the Si2N molecule under different external electric fields.It is found that the absorption spectra,the excitation energies,the oscillator strengths,and the dipole moments of the Si2N molecule are affected by the external electric field.One of the valuable results is that the absorption spectra of the yellow and the blue-violet light of the Si2N molecule each have a red shift under the electric field.The luminescence mechanism in the visible light region of the Si2N molecule is also investigated and compared with the experimental data.