Ab initio nonadiabatic molecular dynamics study on spin–orbit coupling induced spin dynamics in ferromagnetic metals

Understanding the photoexcitation induced spin dynamics in ferromagnetic metals is important for the design of photo-controlled ultrafast spintronic device.In this work,by the ab initio nonadiabatic molecular dynamics simulation,we have studied the spin dynamics induced by spin–orbit coupling(SOC)in Co and Fe using both spin-diabatic and spin-adiabatic representations.In Co system,it is found that the Fermi surface(E_(F))is predominantly contributed by the spin-minority states.The SOC induced spin flip will occur for the photo-excited spin-majority electrons as they relax to the E_(F),and the spin-minority electrons tend to relax to the EFwith the same spin through the electron–phonon coupling(EPC).The reduction of spin-majority electrons and the increase of spin-minority electrons lead to demagnetization of Co within100 fs.By contrast,in Fe system,the E_(F) is dominated by the spin-majority states.In this case,the SOC induced spin flip occurs for the photo-excited spin-minority electrons,which leads to a magnetization enhancement.If we move the E_(F) of Fe to higher energy by 0.6eV,the E_(F) will be contributed by the spin-minority states and the demagnetization will be observed again.This work provides a new perspective for understanding the SOC induced spin dynamics mechanism in magnetic metal systems.

Improvement Mechanism of Adhesion Performance of Anti-stripping Agents and Coupling Agents on Asphalt-Aggregate Interface Based on Molecular Dynamics

This study examined the mechanisms for improving the adhesion performance of the asphalt-aggregate interface with two anti-stripping agents and two coupling agents.The investigation of contact behavior between various asphalt-aggregate surfaces was conducted using molecular dynamics(MD)simulations.The interaction energy and the relative concentration distribution were employed as the parameters to analyze the enhancement mechanisms of anti-stripping agents and coupling agents on the asphalt-aggregate interface.Results indicated that the adhesion at the asphalt-aggregate interface could be strengthened by both anti-stripping agents and coupling agents.Anti-stripping agents primarily improve adhesion through the reinforcement of electrostatic attraction,while coupling agents primarily upgrade adhesion by strengthening the van der Waals.Hence,the molecular dynamics modeling and calculation techniques presented in this study can be utilized to elucidate the development mechanism of the asphalt-aggregate interface through the use of anti-stripping agents and coupling agents.

Uncertainty quantification of mechanism motion based on coupled mechanism—motor dynamic model for ammunition delivery system

In this paper,a dynamic modeling method of motor driven electromechanical system is presented,and the uncertainty quantification of mechanism motion is investigated based on this method.The main contribution is to propose a novel mechanism-motor coupling dynamic modeling method,in which the relationship between mechanism motion and motor rotation is established according to the geometric coordination of the system.The advantages of this include establishing intuitive coupling between the mechanism and motor,facilitating the discussion for the influence of both mechanical and electrical parameters on the mechanism,and enabling dynamic simulation with controller to take the randomness of the electric load into account.Dynamic simulation considering feedback control of ammunition delivery system is carried out,and the feasibility of the model is verified experimentally.Based on probability density evolution theory,we comprehensively discuss the effects of system parameters on mechanism motion from the perspective of uncertainty quantization.Our work can not only provide guidance for engineering design of ammunition delivery mechanism,but also provide theoretical support for modeling and uncertainty quantification research of mechatronics system.

Coupled Dynamics and Integrated Control for Position and Attitude Motions of Spacecraft:A Survey

Inspired by the integrated guidance and control design for endo-atmospheric aircraft,the integrated position and attitude control of spacecraft has attracted increasing attention and gradually induced a wide variety of study results in last over two decades,fully incorporating control requirements and actuator characteristics of space missions.This paper presents a novel and comprehensive survey to the coupled position and attitude motions of spacecraft from the perspective of dynamics and control.To this end,a systematic analysis is firstly conducted in details to show the position and attitude mutual couplings of spacecraft.Particularly,in terms of the time discrepancy between spacecraft position and attitude motions,space missions can be categorized into two types:space proximity operation and space orbital maneuver.Based on this classification,the studies on the coupled dynamic modeling and the integrated control design for position and attitude motions of spacecraft are sequentially summarized and analyzed.On the one hand,various coupled position and dynamic formulations of spacecraft based on various mathematical tools are reviewed and compared from five aspects,including mission applicability,modeling simplicity,physical clearance,information matching and expansibility.On the other hand,the development of the integrated position and attitude control of spacecraft is analyzed for two space missions,and especially,five distinctive development trends are captured for space operation missions.Finally,insightful prospects on future development of the integrated position and attitude control technology of spacecraft are proposed,pointing out current primary technical issues and possible feasible solutions.

Dynamic impact properties of deep sandstone under thermal-hydraulicmechanical coupling loads

The deep rock mass within coal mines situated in a challenging environment are characterized by high ground stress,high geotemperature,high osmotic water pressure,and dynamic disturbances from mechanical excavation.To investigate the impact of this complex mechanical environment on the dynamic characteristics of roof sandstone in self-formed roadways without coal pillars,standard specimens of deep sandstone from the 2611 upper tunnel working face of the Yongmei Company within the Henan Coal Chemical Industry Group in Henan,China were prepared,and an orthogonal test was designed.Using a self-developed geotechnical dynamic impact mechanics test system,triaxial dynamic impact tests under thermal-hydraulicmechanical coupling conditions were conducted on deep sandstone.The results indicate that under high confining pressure,deep sandstone exhibits pronounced brittle failure at low temperatures,with peak strength gradually decreasing as temperature and osmotic water pressure increase.Conversely,under low confining pressure and low temperature,the brittleness of deep sandstone weakens gradually,while ductility increases.Moreover,sandstone demonstrates higher peak strength at low temperatures under high axial pressure conditions,lower peak strength at high temperatures,and greater strain under low axial pressure and high osmotic water pressure.Increases in impact air pressure and osmotic water pressure have proportionally greater effects on peak stress and peak strain.Approximately 50%of the input strain energy is utilized as effective energy driving the sandstone fracture process.Polar analysis identifies the optimal combination of factors affecting the peak stress and peak strain of sandstone.Under the coupling effect,intergranular and transgranular fractures occur within the sandstone.SEM images illustrate that the damage forms range from minor damage with multiple fissures to extensive fractures and severe fragmentation.This study elucidates the varied dynamic impact mechanical properties of deep sandstones under thermal-hydraulic-mechanical coupling,along with multifactor analysis methods and their optimal factor combinations.

Seismic performance evaluation of hybrid coupled shear wall system with shear and flexural fuse-type steel coupling beams

Replaceable flexural and shear fuse-type coupling beams are used in hybrid coupled shear wall(HCSW)systems,enabling concrete buildings to be promptly recovered after severe earthquakes.This study aimed to analytically evaluate the seismic behavior of flexural and shear fuse beams situated in short-,medium-and high-rise RC buildings that have HCSWs.Three building groups hypothetically located in a high seismic hazard zone were studied.A series of 2D nonlinear time history analyses was accomplished in OpenSees,using the ground motion records scaled at the design basis earthquake level.It was found that the effectiveness of fuses in HCSWs depends on various factors such as size and scale of the building,allowable rotation value,inter-story drift ratio,residual drift quantity,energy dissipation value of the fuses,etc.The results show that shear fuses better meet the requirements of rotations and drifts.In contrast,flexural fuses dissipate more energy,but their sectional stiffness should increase to meet other requirements.It was concluded that adoption of proper fuses depends on the overall scale of the building and on how associated factors are considered.

Multi-Body Dynamics Modeling of Heavy Goods Vehicle-Rail Interaction

Based on the principle of vehicle-track coupling dynamics, SIMPACK multi-body dynamics software is used to establish a C80 wagon line-coupled multi-body dynamics model with 73 degrees of freedom. And the reasonableness of the line-coupled dynamics model is verified by using the maximum residual acceleration, the nonlinear critical speed of the wagon. The experimental results show that the established vehicle line coupling dynamics model meets the requirements of vehicle line coupling dynamics modeling.

An Improved Coupled Dynamic Modelling for Exploring Gearbox Vibrations Considering Local Defects

Gearbox is a key part in machinery,in which gear,shaft and bearing operate together to transmit motion and power.The wide usage and high failure rate of gearbox make it attract much attention on its health monitoring and fault diagnosis.Dynamic modelling can study the mechanism under different faults and provide theoretical foundation for fault detection.However,current commonly used gear dynamic model usually neglects the influence of bearing and shaft,resulting in incomplete understanding of gearbox fault diagnosis especially under the effect of local defects on gear and shaft.To address this problem,an improved gear-shaft-bearing-housing dynamic model is proposed to reveal the vibration mechanism and responses considering shaft whirling and gear local defects.Firstly,an eighteen degree-of-freedom gearbox dynamic model is proposed,taking into account the interaction among gear,bearing and shaft.Secondly,the dynamic model is iteratively solved.Then,vibration responses are expounded and analysed considering gear spalling and shaft crack.Numerical results show that the gear mesh frequency and its harmonics have higher amplitude through the spectrum.Vibration RMS and the shaft rotating frequency increase with the spalling size and shaft crack angle in general.An experiment is designed to verify the rationality of the proposed gearbox model.Lastly,comprehensive analysis under different spalling size and shaft crack angle are analysed.Results show that when spalling size and crack angle are larger,RMS and the amplitude of shaft rotating frequency will not increase linearly.The dynamic model can accurately simulate the vibration of gear transmission system,which is helpful for gearbox fault diagnosis.

Dynamic coupled thermo-hydro-mechanical problem for heterogeneous deep-sea sediments under vibration of mining vehicle

Due to the influence of deep-sea environment,deep-sea sediments are usually heterogeneous,and their moduli of elasticity and density change as depth changes.Combined with the characteristics of deep-sea sediments,the thermo-hydro-mechanical coupling dynamic response model of heterogeneous saturated porous sediments can be established to study the influence of elastic modulus,density,frequency,and load amplitude changes on the model.Based on the Green-Lindsay generalized thermoelasticity theory and Darcy’s law,the thermo-hydro-mechanical coupled dynamic response model and governing equations of heterogeneous deep-sea sediments with nonlinear elastic modulus and density are established.The analytical solutions of dimensionless vertical displacement,vertical stress,excess pore water pressure,and temperature are obtained by means of normal modal analysis,which are depicted graphically.The results show that the changes of elastic modulus and density have few effects on vertical displacement,vertical stress,and temperature,but have great effects on excess pore water pressure.When the mining machine vibrates,the heterogeneity of deep-sea sediments has great influence on vertical displacement,vertical stress,and excess pore water pressure,but has few effects on temperature.In addition,the vertical displacement,vertical stress,and excess pore water pressure of heterogeneous deep-sea sediments change more gently.The variation trends of physical quantities for heterogeneous and homogeneous deep-sea sediments with frequency and load amplitude are basically the same.The results can provide theoretical guidance for deep-sea mining engineering construction.

Train–track coupled dynamics analysis:system spatial variation on geometry,physics and mechanics

This paper aims to clarify the influence of system spatial variability on train–track interaction from perspectives of stochastic analysis and statistics.Considering the spatial randomness of system properties in geometry,physics and mechanics,the primary work is therefore simulating the uncertainties realistically,representatively and efficiently.With regard to the track irregularity simulation,a model is newly developed to obtain random sample sets of track irregularities by transforming its power spectral density function into the equivalent track quality index for representation based on the discrete Parseval theorem,where the correlation between various types of track irregularities is accounted for.To statistically clarify the uncertainty of track properties in physics and mechanics in space,a model combining discrete element method and finite element method is developed to obtain the spatially varied track parametric characteristics,e.g.track stiffness and density,through which the highly expensive experiments in situ can be avoided.Finally a train–track stochastic analysis model is formulated by integrating the system uncertainties into the dynamics model.Numerical examples have validated the accuracy and efficiency of this model and illustrated the effects of system spatial variability on train–track vibrations comprehensively.

Nonlinear Coupled Dynamics Analysis of A Truss Spar Platform

Accurate prediction of the offshore structure motion response and associate mooring line tension is important in both technical applications and scientific research. In our study, a truss spar platform, operated in Gulf of Mexico, is numerically simulated and analyzed by an in-house numerical code ＇COUPLE＇. Both the platform motion responses and associated mooring line tension are calculated and investigated through a time domain nonlinear coupled dynamic analysis. Satisfactory agreement between the simulation and corresponding field measurements is in general reached, indicating that the numerical code can be used to conduct the time-domain analysis of a truss spar interacting with its mooting and riser system. Based on the comparison between linear and nonlinear results, the relative importance of nonlinearity in predicting the platform motion response and mooring line tensions is assessed and presented. Through the coupled and quasi-static analysis, the importance of the dynamic coupling effect between the platform hull and the mooting/riser system in predicting the mooting line tension and platform motions is quantified. These results may provide essential information pertaining to facilitate the numerical simulation and design of the large scale offshore structures.

Dynamics of Large-Truncated Mooring Systems Coupled with A Catenary Moored Semi-Submersible

With the floating structures pushing their activities to the ultra-deep water, model tests have presented a challenge due to the limitation of the existing wave basins. Therefore, the concept of truncated mooring system is implemented to replace the full depth mooring system in the model tests, which aims to have the same dynamic responses as the full depth system. The truncated mooring system plays such a significant role that extra attention should be paid to the mooring systems with large truncation factor. Three different types of large truncation factor mooring system are being employed in the simulations, including the homogenously truncated mooring system, non-homogenously truncated mooring system and simplified truncated mooring system. A catenary moored semi-submersible operating at 1000 m water depth is presented. In addition, truncated mooring systems are proposed at the truncated water depth of 200 m. In order to explore the applicability of these truncated mooring systems, numerical simulations of the platform’s surge free decay interacting with three different styles of truncated mooring systems are studied in calm water. Furthermore, the mooring-induced damping of the truncated mooring systems is simulated in the regular wave. Finally, the platform motion responses and mooring line dynamics are simulated in irregular wave. All these simulations are implemented by employing full time domain coupled dynamic analysis, and the results are compared with those of the full depth simulations in the same cases. The results show that the mooring-induced damping plays a significant role in platform motion responses, and all truncated mooring systems are suitable for model tests with appropriate truncated mooring line diameters. However, a large diameter is needed for simplified truncated mooring lines. The suggestions are given to the selection of truncated mooring system for different situations as well as to the truncated mooring design criteria.

Lateral Stability Analysis of Heavy-Haul Vehicle on Curved Track Based on Wheel/Rail Coupled Dynamics

Being viewed from the standpoint of whole system, the hunting stability of a heavy-haul railway vehicle on a curved track is investigated in this paper. First, a model to simulate dynamic performance of the heavy-haul vehicle on the elastic track is developed. Secondly, the reason of the hunting motion is analyzed, and a bifurcation diagram for the vehicle on the curved track is put forward to simulate the nonlinear critical speed. Results show that the hunting motion of the heavy-haul vehicle will appear due to the larger conicity, the initial lateral shift and the wheelset angle of attack. With the hunting motion appearing, the lateral shift and force of the wheelset are changed sharply and periodically with a wave of circa 3.6 m. There is obvious difference in the bifurcation diagram between on a curved track and on a tangent track. Relative to the centerline of the track, each vehicle body on the curved track has two stable cycles. As for the curved track with a radius of 600 m and a superelevation of 55 mm, the nonlinear critical speed of the heavy-haul vehicle is 76.4 km/h.

Nonlinear coupled dynamics of liquid-filled spherical container in microgravity

Nonlinear coupled dynamics of a liquid-filled spherical container in microgravity are investigated. The governing equations of the low-gravity liquid sloshing in a convex axisymmetrical container subjected to lateral excitation is obtained by the variational principle and solved with a modal analysis method. The variational formulas are transformed into a frequency equation in the form of a standard eigenvalue problem by the Galerkin method, in which admissible functions for the velocity potential and the liquid flee surface displacement are determined analytically in terms of the Gaussian hypergeometric series. The coupled dynamic equations of the liquid-filled container are derived using the Lagrange＇s method and are numerically solved. The time histories of the modal solutions are obtained in numerical simulations.

Analysis of convergence for initial condition estimation of coupled map lattices based on symbolic dynamics

A novel approach to the inverse problem of diffusively coupled map lattices is systematically investigated by utilizing the symbolic vector dynamics. The relationship between the performance of initial condition estimation and the structural feature of dynamical system is proved theoretically. It is found that any point in a spatiotemporal coupled system is not necessary to converge to its initial value with respect to sufficient backward iteration, which is directly relevant to the coupling strength and local mapping function. When the convergence is met, the error bound in estimating the initial condition is proposed in a noiseless environment, which is determined by the dimension of attractors and metric entropy of the system. Simulation results further confirm the theoretic analysis, and prove that the presented method provides the important theory and experimental results for better analysing and characterizing the spatiotemporal complex behaviours in an actual system.

A method of recovering the initial vectors of globally coupled map lattices based on symbolic dynamics

Based on symbolic dynamics, a novel computationally efficient algorithm is proposed to estimate the unknown initial vectors of globally coupled map lattices （CMLs）. It is proved that not all inverse chaotic mapping functions are satisfied for contraction mapping. It is found that the values in phase space do not always converge on their initial values with respect to sufficient backward iteration of the symbolic vectors in terms of global convergence or divergence （CD）. Both CD property and the coupling strength are directly related to the mapping function of the existing CML. Furthermore, the CD properties of Logistic, Bernoulli, and Tent chaotic mapping functions are investigated and compared. Various simulation results and the performances of the initial vector estimation with different signal-to- noise ratios （SNRs） are also provided to confirm the proposed algorithm. Finally, based on the spatiotemporal chaotic characteristics of the CML, the conditions of estimating the initial vectors usiug symbolic dynamics are discussed. The presented method provides both theoretical and experimental results for better understanding and characterizing the behaviours of spatiotemporal chaotic systems.

A method of estimating initial conditions of coupled map lattices based on time-varying symbolic dynamics

A novel computationally efficient algorithm in terms of the time-varying symbolic dynamic method is proposed to estimate the unknown initial conditions of coupled map lattices （CMLs）. The presented method combines symbolic dynamics with time-varying control parameters to develop a time-varying scheme for estimating the initial condition of multi-dimensional spatiotemporal chaotic signals. The performances of the presented time-varying estimator in both noiseless and noisy environments are analysed and compared with the common time-invariant estimator. Simulations are carried out and the obtained results show that the proposed method provides an efficient estimation of the initial condition of each lattice in the coupled system. The algorithm cannot yield an asymptotically unbiased estimation due to the effect of the coupling term, but the estimation with the time-varying algorithm is closer to the Cramer-Rao lower bound （CRLB） than that with the time-invariant estimation method, especially at high signal-to-noise ratios （SNRs）.

Entanglement Dynamics of Two Qubits Coupled Independently to Cavities in the Ultrastrong Coupling Regime:Analytical Results

Dynamics of quantum entanglement of two qubits in two identical quantum Rabi models is studied analytically in the framework of corrections to the rotating-wave approximations. A closed-form expression for the entanglement dynamics initiated from the well-known Bell states is derived, which is very close to the numerical exact results up to the ultrastrong coupling regime. It is found that the vanishing entanglement can be purely induced by the counter-rotating terms, and can be enhanced with the atom-cavity coupling.

Coupled Vibration Analysis of Vehicle-Bridge System Based on Multi-Boby Dynamics

For establishing the refined numerical simulation model for coupled vibration between vehicle and bridge, the refined three-dimensional vehicle model is setup by multi-body system dynamics method, and finite element method of dynamic model is adopted to model the bridge. Taking Yujiang River Bridge on Nanning-Guangzhou railway line in China as study background, the?refined numerical simulation model of whole vehicle and whole bridge system for coupled vibration analysis is set up. The dynamic analysis model of the cable-stayed bridge is established by finite element method, and the natural vibration properties of the bridge are analyzed. The German ICE Electric Multiple Unit (EMU) train refined three-dimensional space vehicle model is set up by multi-system dynamics software SIMPACK, and the multiple non-linear properties are considered. The space vibration responses are calculated by co-simulation based on multi-body system dynamics and finite element method when the ICE EMU train passes the long span cable-stayed bridge at different speeds. In order to test if the bridge has the sufficient lateral or vertical rigidity and the operation stability is fine. The calculation results show: The operation safety can be guaranteed, and comfort?index is “excellent”. The bridge has sufficient rigidity, and vibration is in good condition.

Molecular dynamics study of coupled layer thickness and strain rate effect on tensile behaviors of Ti/Ni multilayered nanowires

Novel properties and applications of multilayered nanowires(MNWs)urge researchers to understand their mechanical behaviors comprehensively.Using the molecular dynamic simulation,tensile behaviors of Ti/Ni MNWs are investigated under a series of layer thickness values(1.31,2.34,and 7.17 nm)and strain rates(1.0×10^(8)s^(-1)≤ε≤5.0×10^(10)s^(-1)).The results demonstrate that deformation mechanisms of isopachous Ti/Ni MNWs are determined by the layer thickness and strain rate.Four distinct strain rate regions in the tensile process can be discovered,which are small,intermediate,critical,and large strain rate regions.As the strain rate increases,the initial plastic behaviors transform from interface shear(the shortest sample)and grain reorientation(the longest sample)in small strain rate region to amorphization of crystalline structures(all samples)in large strain rate region.Microstructure evolutions reveal that the disparate tensile behaviors are ascribed to the atomic fractions of different structures in small strain rate region,and only related to collapse of crystalline atoms in high strain rate region.A layer thickness-strain rate-dependent mechanism diagram is given to illustrate the couple effect on the plastic deformation mechanisms of the isopachous nanowires.The results also indicate that the modulation ratio significantly affects the tensile properties of unequal Ti/Ni MNWs,but barely affect the plastic deformation mechanisms of the materials.The observations from this work will promote theoretical researches and practical applications of Ti/Ni MNWs.