Electronic effects on radiation damage inα-iron:A molecular dynamics study

Iron(Fe)-based alloys,which have been widely used as structural materials in nuclear reactors,can significantly change their microstructure properties and macroscopic properties under high flux neutron irradiation during operation,thus,the problems associated with the safe operation of nuclear reactors have been put forward naturally.In this work,a molecular dynamics simulation approach combined with electronic effects is developed for investigating the primary radiation damage process inα-Fe.Specifically,the influence of electronic effects on the collision cascade in Fe is systematically evaluated based on two commonly used interatomic potentials for Fe.The simulation results reveal that both electronic stopping(ES)and electron-phonon coupling(EPC)can contribute to the decrease of the number of defects in the thermal spike phase.The application of ES reduces the number of residual defects after the cascade evolution,whereas EPC has a reverse effect.The introduction of electronic effects promotes the formation of the dispersive subcascade:ES significantly changes the geometry of the damaged region in the thermal spike phase,whereas EPC mainly reduces the extent of the damaged region.Furthermore,the incorporation of electronic effects effectively mitigates discrepancies in simulation outcomes when using different interatomic potentials.

Solvent transport dynamics and its effect on evolution of mechanical properties of nitrocellulose(NC)-based propellants under hot-air drying process

Appropriate drying process with optimized controlling of drying parameters plays a vital role in the improvement of the quality and performance of propellant products.However,few research on solvent transport dynamics within NC-based propellants was reported,and its effect on the evolution of mechanical properties was not interpreted yet.This study is conducted to gain a comprehensive understanding of hot-air drying for NC-based propellants and clarify the effect of temperature on solvent transport behavior and further the change of mechanical properties during drying.The drying kinetic curves show the drying time required is decreased but the steady solvent content is increased and the drying rate is obviously increased with the increase of hot-air temperatures,indicating hot-air temperatures have a significant effect on drying kinetics.A modified drying model was established,and results show it is more appropriate to describe solvent transport behavior within NC-based propellants.Moreover,two linear equations were established to exhibit the relationship between solvent content and its effect on the change of tensile properties,and the decrease of residual solvent content causes an obvious increase of tensile strength and tensile modulus of propellant products,indicating its mechanical properties can be partly improved by adjustment of residual solvent content.The outcomes can be used to clarify solvent transport mechanisms and optimize drying process parameters of double-based gun propellants.

Time-domain dynamic constitutive model suitable for mucky soil site seismic response

Soil nonlinear behavior displays noticeable effects on the site seismic response.This study proposes a new functional expression of the skeleton curve to replace the hyperbolic skeleton curve.By integrating shear modulus and combining the dynamic skeleton curve and the damping degradation coefficient,the constitutive equation of the logarithmic dynamic skeleton can be obtained,which considers the damping effect in a soil dynamics problem.Based on the finite difference method and the multi-transmitting boundary condition,a 1D site seismic response analysis program called Soilresp1D has been developed herein and used to analyze the time-domain seismic response in three types of sites.At the same time,this study also provides numerical simulation results based on the hyperbolic constitutive model and the equivalent linear method.The results verify the rationality of the new soil dynamic constitutive model.It can analyze the mucky soil site nonlinear seismic response,reflecting the deformation characteristics and damping effect of the silty soil.The hysteresis loop area is more extensive,and the residual strain is evident.

Micropillar compression using discrete dislocation dynamics and machine learning

Discrete dislocation dynamics(DDD)simulations reveal the evolution of dislocation structures and the interaction of dislocations.This study investigated the compression behavior of single-crystal copper micropillars using fewshot machine learning with data provided by DDD simulations.Two types of features are considered:external features comprising specimen size and loading orientation and internal features involving dislocation source length,Schmid factor,the orientation of the most easily activated dislocations and their distance from the free boundary.The yielding stress and stress-strain curves of single-crystal copper micropillar are predicted well by incorporating both external and internal features of the sample as separate or combined inputs.It is found that the machine learning accuracy predictions for single-crystal micropillar compression can be improved by incorporating easily activated dislocation features with external features.However,the effect of easily activated dislocation on yielding is less important compared to the effects of specimen size and Schmid factor which includes information of orientation but becomes more evident in small-sized micropillars.Overall,incorporating internal features,especially the information of most easily activated dislocations,improves predictive capabilities across diverse sample sizes and orientations.

Dynamic thermo-mechanical responses of road-soft ground system under vehicle load and daily temperature variation

A complete road-soft ground model is established in this paper to study the dynamic responses caused by vehicle loads and/or daily temperature variation.A dynamic thermo-elastic model is applied to capturing the behavior of the rigid pavement,the base course,and the subgrade,while the soft ground is characterized using a dynamic thermo-poroelastic model.Solutions to the road-soft ground system are derived in the Laplace-Hankel transform domain.The time domain solutions are obtained using an integration approach.The temperature,thermal stress,pore water pressure,and displacement responses caused by the vehicle load and the daily temperature variation are presented.Results show that obvious temperature change mainly exists within 0.3 m of the road when subjected to the daily temperature variation,whereas the stress responses can still be found in deeper places because of the thermal swelling/shrinkage deformation within the upper road structures.Moreover,it is important to consider the coupling effects of the vehicle load and the daily temperature variation when calculating the dynamic responses inside the road-soft ground system.

Experimental and theoretical study on the dynamic effective stress of loaded gassy coal during gas release

In the process of mining coalbed methane(CBM),an unsteady state often arises due to the rapid extraction,release and pressure relief of CBM.In this case,the effective stress of coal changes dynamically,affecting the stability of the gassy coal seam.In this paper,gas release tests of gassy coal under conventional triaxial compression were performed,and the dynamic effective stress(DES)during gas release was obtained indirectly based on a constitutive equation and deformation of coal.The results show that the maximum increases in DES caused by the release of free gas and adsorbed gas under the stress of 1.1 MPa were 0.811 and 5.418 MPa,respectively,which seriously affected the stress state of the coal.During the gas release,the free gas pressure and the adsorbed gas volume were the parameters that directly affected the DES and showed a positive linear relationship with the DES with an intercept of zero.The DES of the coal sample increased exponentially with time,which was determined by the contents of free and adsorbed gas.Based on the experimental results and theoretical analysis,an effective stress model was obtained for loaded gassy coal during gas release.The results of verification indicated accuracy greater than 99%.

Nonlinear coupling modeling and dynamics analysis of rotating flexible beams with stretching deformation effect

Dynamic coupling modeling and analysis of rotating beams based on the nonlinear Green-Lagrangian strain are introduced in this work.With the reservation of the axial nonlinear strain,there are more coupling terms for axial and transverse deformations.The discretized dynamic governing equations are obtained by using the finite element method and Lagrange’s equations of the second kind.Time responses are conducted to compare the proposed model with other previous models.The stretching deformation due to rotating motion is observed and calculated by special formulations under dynamic equilibrium.The stretching deformation and the change of the associated equilibrium position are taken into account to analyze the free vibration and frequency response of the rotating beams.Analytical and numerical comparisons show that the proposed model can provide reliable results,while the previous models may lead to imprecise results,especially in high-speed conditions.

Sliding behaviors of the trapezoidal roof rock block under a lateral dynamic disturbance

The surrounding rock of underground space is always affected by external dynamic disturbance from the side position,such as blasting vibration from a stope at the same level or seismic waves from adjacent strata.A series of laboratory tests,numerical simulations and theoretical analyses were carried out in this study to disclose the sliding mechanism of roof rock blocks under lateral disturbance.Firstly,the experiments on trapezoidal key block under various clamping loads and disturbance were conducted,followed by numerical simulations using the fast Lagrangian analysis of continua(FLAC3D).Then,based on the conventional wave propagation model and the classical shear-slip constitutive model,a theoretical model was proposed to capture the relative displacement between blocks and the sliding displacement of the key block.The results indicate that the sliding displacement of the key block increased linearly with the disturbance energy and decreased exponentially with the clamping load when the key block was disturbed to slide(without instability).Meanwhile,when the key block was disturbed to fall,two types of instability process may appear as immediate type or delayed type.In addition,the propagation of stress waves in the block system exhibited obvious low-velocity and lowfrequency characteristics,resulting in the friction reduction effect appearing at the contact interface,which is the essential reason for the sliding of rock blocks.The results can be applied to practical underground engineering and provide valuable guidance for the early detection and prevention of rockfalling disasters.

Numerical Study on the Aerodynamic and Fluid−Structure Interaction of An NREL-5MW Wind Turbine

A 5-MW wind turbine has been modeled and analyzed for fluid-structure interaction and aerodynamic performance.In this study, a full-scale model of a 5-MW wind turbine is first developed based on a computational fluid dynamics(CFD) approach, in which the unsteady, noncompressible Reynolds Averaged Navier-Stokes(RANS) method is used. The main focus of the study is to analyze the tower shadow effect on the aerodynamic performance of the wind turbine under different inlet flow conditions. Subsequently, the finite element model is established by considering fluid/structure interactions to study the structural stress, displacement, strain distributions and flow field information of the structure under the uniform wind speed. Finally, the fluid-structure interaction model is established by considering turbulent wind and the tower shadow effect. The variation rules of the dynamic response of the one-way and two-way fluid-structure interaction(FSI) models under different wind speeds are analyzed, and the numerical calculation results are compared with those of the centralized mass model. The results show that the tower shadow effect and structural deformation are the main factors affecting the aerodynamic load fluctuation of the wind turbine, which in turn affects the aerodynamic performance and structural stability of the blades. The structural dynamic response of the coupled model shows significant similarity, while the structural displacement response of the former exhibits less fluctuation compared with the conventional centralized mass model. The one-way fluid-structure interaction(FSI)model shows a higher frequency of stress-strain and displacement oscillations on the blade compared with the two-way FSI model.

Dynamic Modelling of a Hybrid Variable Reluctance Machine Using the 3D Finite Element Method

This paper presents the work carried out to evaluate the dynamic performance of the Hybrid Variable Reluctance Motor (HVRM). The fourth-order Runge-Kutta integration algorithm was employed to solve the equations of the dynamic model, in conjunction with the three-dimensional finite element method. The 3D numerical data was calculated using Comsol Multiphysics, which accounts for the nonlinearity of the ferromagnetic material and the 3D nature of the HVRM. The outcomes of this study are precise and accurately predict the dynamic behaviour of the HVRM in terms of rotor position response, rotational speed and torque. The distinctive contribution of this work lies in the 3D numerical modelling of the HVRM and the subsequent evaluation and analysis of its dynamic operation. Analytical and numerical 2D studies are less resource-intensive and time-consuming, and are more straightforward and rapid to analyse and interpret. However, they are constrained in their capacity to examine spatial, volumetric interactions and intricate dynamics such as flux studies where three 3D effects cannot be disregarded, winding end effects and the configuration and positioning of the interposed permanent magnet.

Strain effects on Li^(+) diffusion in solid electrolyte interphases:A molecular dynamics study

Dilithium ethylene dicarbonate(Li_(2)EDC) and dilithium butylene dicarbonate(Li_(2)BDC) are the common organic compositions of the solid electrolyte interphase(SEI) layers in rechargeable lithium-ion batteries.The Li^(+) diffusion in the amorphous and ordered phases of Li_(2) EDC and Li_(2) BDC under various strains has been investigated by using molecular dynamics simulations.It is found that different strains lead to diverse changes in Li^(+) diffusivity.The tensile strain makes the Li+diffusion coefficients increase in amorphous and ordered Li_(2)EDC or Li_(2) BDC,and the compressive strain makes the Li+diffusion coefficients decrease in them.The average Li+coordination number calculation,ion conductivity calculation and the calculation of the residence autocorrelation function in amorphous and ordered Li_(2)EDC or Li_(2)BDC are performed to further analyze the strain effects on Li^(+) transport in them.The factors influencing Li^(+) diffusion in amorphous and ordered Li_(2)EDC or Li_(2) BDC under the strain are discussed.

Theoretical study on dynamic effective electroelastic properties of random piezoelectric composites with aligned inhomogeneities

The closed-form solutions of the dynamic problem of heterogeneous piezoelectric materials are formulated by introducing polarizations into a reference medium and using the generalized reciprocity theorem.These solutions can be reduced to the ones of an elastodynamic problem.Based on the effective medium method,these closedform solutions can be used to establish the self-consistent equations about the frequencydependent effective parameters,which can be numerically solved by iteration.Theoretical predictions are compared with the experimental results,and good agreement can be found.Furthermore,the analyses on the effects of microstructure and wavelength on the effective properties,resonance frequencies,and attenuation are also presented,which may provide some guidance for the microstructure design and analysis of piezoelectric composites.

Quantum Dynamics Calculations on Isotope Effects of Hydrogen Transfer Isomerization in Formic Acid Dimer

We present a quantum dynamics study on the isotope effects of hydro-gen transfer isomerization in the formic acid dimer,and this is achieved by multidimensional dy-namics calculations with an efficient quantum mechanical theoretical scheme developed by our group,on a full-dimensional neural network ab initio potential energy surface.The ground-state and fundamental tun-neling splittings for four deuterium isotopologues of formic acid dimer are considered,and the calculated results are in very good general agreement with the avail-able experimental measurements.Strong isotope effects are revealed,the mode-specific funda-mental excitation effects on the tunneling rate are evidently influenced by the deuterium sub-stitution of H atom with the substitution on the OH bond being more effective than on the CH bond.Our studies are helpful for acquiring a better understanding of isotope effects in the double-hydrogen transfer processes.

Study on dynamic response of high speed train window glass under tunnel aerodynamic effects

Purpose-This paper aims to analyze the bearing characteristics of the high speed train window glass under aerodynamic load effects.Design/methodology/approach-In order to obtain the dynamic strain response of passenger compartment window glass during high-speed train crossing the tunnel,taking the passenger compartment window glass of the CRH3 high speed train onWuhan-Guangzhou High Speed Railway as the research object,this study tests the strain dynamic response and maximum principal stress of the high speed train passing through the tunnel entrance and exit,the tunnel and tunnel groups as well as trains meeting in the tunnel at an average speed of 300 km$h-1.Findings-The results show that while crossing the tunnel,the passenger compartment window glass of high speed train is subjected to the alternating action of positive and negative air pressures,which shows the typical mechanic characteristics of the alternating fatigue stress of positive-negative transient strain.The maximum principal stress of passenger compartment window glass for high speed train caused by tunnel aerodynamic effects does not exceed 5 MPa,and the maximum value occurs at the corresponding time of crossing the tunnel groups.The high speed train window glass bears medium and low strain rates under the action of tunnel aerodynamic effects,while the maximum strain rate occurs at the meeting moment when the window glass meets the train head approaching from the opposite side in the tunnel.The shear modulus of laminated glass PVB film that makes up high speed train window glass is sensitive to the temperature and action time.The dynamically equivalent thickness and stiffness of the laminated glass and the dynamic bearing capacity of the window glass decrease with the increase of the action time under tunnel aerodynamic pressure.Thus,the influence of the loading action time and fatigue under tunnel aerodynamic effects on the glass strength should be considered in the design for the bearing performance of high speed train window glass.Originality/value-The research results provide data support for the analysis of mechanical characteristics,damage mechanism,strength design and structural optimization of high speed train glass.

Flatness Control Based on Dynamic Effective Matrix for Cold Strip Mills

Steel strips are the main of steel products and flatness is an important quality indicator of steel strips. Flatness control is the key and highly difficult technique of strip mills. The bottle-neck restricting the improvement of flatness control techniques is that the research on flatness theories and control mathematic models is not in accordance with the requirement of technique developments. To build a simple, rapid and accurate explicit formulation control model has become an urgent need for the development of flatness control technique. This paper puts forward the conception of dynamic effective matrix based on the effective matrix method for flatness control proposed by the authors under the consideration of the influence of the change of parameters in roiling processes on the effective matrix, and the concept is validated by industrial productions. Three methods of the effective matrix generation are induced： the calculation method based on the flatness prediction model; the calculation method based on the data excavation in rolling processes and the direct calculation method based on the network model. A fuzzy neural network effective matrix model is built based on the clusters, and then the network structure is optimized and the high-speed-calculation problem of the dynamic effective matrix is solved. The flatness control scheme for cold strip mills is proposed based on the dynamic effective matrix. On stand 5 of the 1 220 mm five-stand 4-high cold strip tandem mill, the industrial experiment with the control methods of tilting roll and bending roll is done by the control scheme of the static effective matrix and the dynamic effective matrix, respectively. The experiment result proves that the control effect of the dynamic effective matrix is much better than that of the static effective matrix. This paper proposes a new idea and method for the dynamic flatness control in the rolling processes of cold strip mills and develops the theory and model of the flatness control effective matrix method.

Effects of topography on dynamic responses of single piles under vertical cyclic loading

This paper describes model tests of single piles subjected to vertical cyclic compressive loading for three kinds of topography: sloping ground, level ground, and inclined bedrock. Comprehensive dynamic responses involving cyclic effects and vibration behaviours are studied under various load combinations of dynamic amplitude, mean load,frequency and number of cycles. Test results show that permanent settlement can generally be predicted with a quadratic function or power function of cycles.Sloping ground topography produces more pronounced settlement than level ground under the same load condition. For vibration behaviour,displacement amplitude is weakly affected by the number of cycles, while load amplitude significantly influences dynamic responses. Test results also reveal that increasing load amplitude intensifies nonlinearity and topography effects. The strain distribution in a pile and soil stress at the pile tip are displayed to investigate the vibration mechanism accounting for sloping ground effects. Furthermore, the dynamic characteristics among three kinds of topography in the elastic stage are studied using a three-dimensional finite method. Numerical results are validated by comparing with experimental results for base inclination topography. An inclined soil profile boundary causes non-axisymmetric resultant deformation, though a small difference in vertical displacement is observed.

Sample size effect on the dynamic torsional behaviour of the 2A12 aluminium alloy

In order to investigate the effect of sample size on the dynamic torsional behaviour of the 2A12 aluminium alloy. In this paper, torsional split Hopkinson bar tests are conducted on this alloy with different sample dimensions. It is found that with the decreasing gauge length and thickness, the tested yield strength increases. However, the sample innerlouter diameter has little effect on the dynamic torsional behaviour. Based on the finite element method, the stress states in the alloy with different sample sizes are analysed. Due to the effect of stress concentration zone （SCZ）, the shorter sample has a higher yield stress. Furthermore, the stress distributes more uniformly in the thinner sample, which leads to the higher tested yield stress. According to the experimental and simulation analysis, some suggestions on choosing the sample size are given as well.

Experimental investigation of rigid confinement effects of radial strain on dynamic mechanical properties and failure modes of concrete

In this study,to confirm the effect of confining pressure on dynamic mechanical behavior and failure modes of concrete,a split Hopkinson pressure bar dynamic loading device was utilized to perform dynamic compressive experiments under confined and unconfined conditions.The confining pressure was achieved by applying a lateral metal sleeve on the testing specimen which was loaded in the axial direction.The experimental results prove that dynamic peak axial stress,dynamic peak lateral stress,and peak axial strain of concrete are strongly sensitive to the strain rate under confined conditions.Moreover,the failure patterns are significantly affected by the stress-loading rate and confining pressure.Concrete shows stronger strain rate effects under an unconfined condition than that under a confined condition.More cracks are created in concrete subjected to uniaxial dynamic compression at a higher strain rate,which can be explained by a thermal-activated mechanism.By contrast,crack generation is prevented by confinement.Fitting formulas of the dynamic peak stress and dynamic peak axial strain are established by considering strain rate effects(50–250 s-1)as well as the dynamic confining increase factor(DIFc).

Molecular dynamics study on the dependence of thermal conductivity on size and strain in GaN nanofilms

The thermal conductivity of GaN nanofilm is simulated by using the molecular dynamics(MD)method to explore the influence of the nanofilm thickness and the pre-strain field under different temperatures.It is demonstrated that the thermal conductivity of GaN nanofilm increases with the increase of nanofilm thickness,while decreases with the increase of temperature.Meanwhile,the thermal conductivity of strained GaN nanofilms is weakened with increasing the tensile strain.The film thickness and environment temperature can affect the strain effect on the thermal conductivity of GaN nanofilms.In addition,the analysis of phonon properties of GaN nanofilm shows that the phonon dispersion and density of states of GaN nanofilms can be significantly modified by the film thickness and strain.The results in this work can provide the theoretical supports for regulating the thermal properties of GaN nanofilm through tailoring the geometric size and strain engineering.