Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation

Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.

Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer

Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and scalability.However,the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs remains elusive.In this study,we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid bilayer.Our findings revealed that hydrophilic bases,specifically G in single-stranded RNA(ssRNA)and single-stranded DNA(ssDNA),displayed a higher propensity to form hydrogen bonds with phospholipid head groups.Notably,ssRNA exhibited stronger binding energy than ssDNA.Furthermore,divalent ions,particularly Ca2+,facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from phospholipids.Overall,our study provides valuable insights into the molecular mechanisms underlying nucleic acidphospholipid interactions,with potential implications for the nucleic acids in biotherapies,particularly in the context of lipid carriers.

Dynamic modeling of cavitation bubble clusters:Effects of evaporation,condensation,and bubble-bubble interaction

We present a dynamic model of cavitation bubbles in a cluster,in which the effects of evaporation,condensation,and bubble-bubble interactions are taken into consideration.Under different ultrasound conditions,we examine how the dynamics of cavitation bubbles are affected by several factors,such as the locations of the bubbles,the ambient radius,and the number of bubbles.Herein the variations of bubble radius,energy,temperature,pressure,and the quantity of vapor molecules are analyzed.Our findings reveal that bubble-bubble interactions can restrict the expansion of bubbles,reduce the exchange of energy among vapor molecules,and diminish the maximum internal temperature and pressure when bursting.The ambient radius of bubbles can influence the intensities of their oscillations,with clusters comprised of smaller bubbles creating optimal conditions for generating high-temperature and high-pressure regions.Moreover,an increase in the number of bubbles can further inhibit cavitation activities.The frequency,pressure and waveform of the driving wave can also exert a significant influence on cavitation activities,with rectangular waves enhancing and triangular waves weakening the cavitation of bubbles in the cluster.These results provide a theoretical basis for understanding the dynamics of cavitation bubbles in a bubble cluster,and the factors that affect their behaviors.

An efficient method for train-track-substructure dynamic interaction analysis by implicit-explicit integration and multi-time-step solution

In this work,a method is put forward to obtain the dynamic solution efficiently and accurately for a large-scale train-track-substructure(TTS)system.It is called implicit-explicit integration and multi-time-step solution method(abbreviated as mI-nE-MTS method).The TTS system is divided into train-track subsystem and substruc-ture subsystem.Considering that the root cause of low effi-ciency of obtaining TTS solution lies in solving the alge-braic equation of the substructures,the high-efficient Zhai method,an explicit integration scheme,can be introduced to avoid matrix inversion process.The train-track system is solved by implicitly Park method.Moreover,it is known that the requirement of time step size differs for different sub-systems,integration methods and structural frequency response characteristics.A multi-time-step solution is pro-posed,in which time step size for the train-track subsystem and the substructure subsystem can be arbitrarily chosen once satisfying stability and precision demand,namely the time spent for m implicit integral steps is equal to n explicit integral steps,i.e.,mI=nE as mentioned above.The numeri-cal examples show the accuracy,efficiency,and engineering practicality of the proposed method.

Influence of Soil-Structure Interaction Models on the Dynamic Responses of An Offshore Wind Turbine Under Environmental Loads

Offshore wind turbines(OWTs) suffer wind, wave and earthquake loads. The investigation of OWTs' dynamic response under environmental loads is essential for structural safety assessment. The soil-structure interaction(SSI)significantly affects the responses of OWT under environmental loads. However, there is few systematic research about the difference in the dynamic response of different SSI models under environmental loads. In order to solve the problem, the OWT is modeled by shell element, and several SSI models are built. The wind, wave and earthquake loads are taken into account. Moreover, the dynamic response, fatigue and buckling analysis are performed by ANSYS. The results indicate that SSI cannot be ignored in the dynamic response of the OWT under wind and wave loads. The SSI can decrease the displacement response of the OWT by 19% under wind and wave loads and reduce the fatigue damage of the pile. Multi-layer SSI can strongly influence the OWT's dynamic response under wind and wave loads or earthquake-only load. The vertical earthquake load increases the dynamic response in three directions.Besides, in order to simulate real environment, multi-layer SSI, soil damping and vertical SSI must be considered to evaluate the displacement response of the OWT under wind, wave and earthquake loads. The earthquake and gravity loads can cause more obvious response of the OWT than that of only wind and wave loads. The top and bottom of the tower are prone to occur buckling.

Modelling dynamic pantograph loads with combined numerical analysis

Appropriate interaction between pantograph and catenary is imperative for smooth operation of electric trains.Changing heights of overhead lines to accommodate level crossings,overbridges,and tunnels pose significant challenges in maintaining consistent current collection performance as the pantograph aerodynamic profile,and thus aerodynamic load changes significantly with operational height.This research aims to analyse the global flow characteristics and aerodynamic forces acting on individual components of an HSX pantograph operating in different configurations and orientations,such that the results can be combined with multibody simulations to obtain accurate dynamic insight into contact forces.Specifically,computational fluid dynamics simulations are used to investigate the pantograph component loads in a representative setting,such as that of the recessed cavity on a Class 800 train.From an aerodynamic perspective,this study indicates that the total drag force acting on non-fixed components of the pantograph is larger for the knuckle-leading orientation rather than the knuckle-trailing,although the difference between the two is found to reduce with increasing pantograph extension.Combining the aerodynamic loads acting on individual components with multibody tools allows for realistic dynamic insight into the pantograph behaviour.The results obtained show how considering aerodynamic forces enhance the realism of the models,leading to behaviour of the pantograph-catenary contact forces closely matching that seen in experimental tests.

Dynamic Response of A Group of Cylindrical Storage Tanks with Baffles Considering the Effect of Soil Foundation

The sloshing in a group of rigid cylindrical tanks with baffles and on soil foundation under horizontal excitation is studied analytically.The solutions for the velocity potential are derived out by the liquid subdomain method.Equivalent models with mass-spring oscillators are established to replace continuous fluid.Combined with the least square technique,Chebyshev polynomials are employed to fit horizontal,rocking and horizontal-rocking coupling impedances of soil,respectively.A lumped parameter model for impedance is presented to describe the effects of soil on tank structures.A mechanical model for the soil-foundation-tank-liquid-baffle system with small amount of calculation and high accuracy is proposed using the substructure technique.The analytical solutions are in comparison with data from reported literature and numerical codes to validate the effectiveness and correctness of the model.Detailed dynamic properties and seismic responses of the soil-tank system are given for the baffle number,size and location as well as soil parameter.

Capturing the non-equilibrium state in light–matter–free-electron interactions through ultrafast transmission electron microscopy

Ultrafast transmission electron microscope(UTEM) with the multimodality of time-resolved diffraction, imaging,and spectroscopy provides a unique platform to reveal the fundamental features associated with the interaction between free electrons and matter. In this review, we summarize the principles, instrumentation, and recent developments of the UTEM and its applications in capturing dynamic processes and non-equilibrium transient states. The combination of the transmission electron microscope with a femtosecond laser via the pump–probe method guarantees the high spatiotemporal resolution, allowing the investigation of the transient process in real, reciprocal and energy spaces. Ultrafast structural dynamics can be studied by diffraction and imaging methods, revealing the coherent acoustic phonon generation and photoinduced phase transition process. In the energy dimension, time-resolved electron energy-loss spectroscopy enables the examination of the intrinsic electronic dynamics of materials, while the photon-induced near-field electron microscopy extends the application of the UTEM to the imaging of optical near fields with high real-space resolution. It is noted that light–free-electron interactions have the ability to shape electron wave packets in both longitudinal and transverse directions, showing the potential application in the generation of attosecond electron pulses and vortex electron beams.

Seismic response of tall building considering soil-pile-structure interaction

The seismic behavior of tall buildings can be greatly affected by non-linear soil-pile interaction during strongearthquakes. In this study a 20-storey building is examined as a typical structure supported on a pile foundation for differentconditions: (1) rigid base, i.e. no deformation in the foundation: (2) linear soil-pile system; and (3) nonlinear soil-pile system.The effects of pile foundation displacements on the behavior of tall building are investigated, and compared with the behavior ofbuildings supported on shallow foundation. With a model of non-reflective boundary between the near field and far field,Novak's method of soil-pile interaction is improved. The computation method for vibration of pile foundations and DYNANcomputer program are introduced comprehensively. A series of dynamic experiments have been done on full-scale piles,including single pile and group, linear vibration and nonlinear vibration, to verify the validity of boundary zone model.

Seismic wave input method for three-dimensional soil-structure dynamic interaction analysis based on the substructure of artificial boundaries

The method of inputting the seismic wave determines the accuracy of the simulation of soil-structure dynamic interaction. The wave method is a commonly used approach for seismic wave input, which converts the incident wave into equivalent loads on the cutoff boundaries. The wave method has high precision, but the implementation is complicated, especially for three-dimensional models. By deducing another form of equivalent input seismic loads in the fi nite element model, a new seismic wave input method is proposed. In the new method, by imposing the displacements of the free wave fi eld on the nodes of the substructure composed of elements that contain artifi cial boundaries, the equivalent input seismic loads are obtained through dynamic analysis of the substructure. Subsequently, the equivalent input seismic loads are imposed on the artifi cial boundary nodes to complete the seismic wave input and perform seismic analysis of the soil-structure dynamic interaction model. Compared with the wave method, the new method is simplifi ed by avoiding the complex processes of calculating the equivalent input seismic loads. The validity of the new method is verifi ed by the dynamic analysis numerical examples of the homogeneous and layered half space under vertical and oblique incident seismic waves.

Human Interaction Dynamics for Its Use in Mobile Robotics:Impedance Control for Leader-follower Formation

A complete characterization of the behavior in human-robot interactions(HRI) includes both: the behavioral dynamics and the control laws that characterize how the behavior is regulated with the perception data. In this way, this work proposes a leader-follower coordinate control based on an impedance control that allows to establish a dynamic relation between social forces and motion error. For this, a scheme is presented to identify the impedance based on fictitious social forces, which are described by distance-based potential fields.As part of the validation procedure, we present an experimental comparison to select the better of two different fictitious force structures. The criteria are determined by two qualities: least impedance errors during the validation procedure and least parameter variance during the recursive estimation procedure.Finally, with the best fictitious force and its identified impedance,an impedance control is designed for a mobile robot Pioneer 3AT,which is programmed to follow a human in a structured scenario.According to results, and under the hypothesis that moving like humans will be acceptable by humans, it is believed that the proposed control improves the social acceptance of the robot for this kind of interaction.

Torsional Characteristics of Single Walled Carbon Nanotube with Water Interactions by Using Molecular Dynamics Simulation

The torsional characteristics of single walled carbon nanotube(SWCNT) with water interactions are studied in this work using molecular dynamics simulation method. The torsional properties of carbon nanotubes(CNTs) in a hydrodynamic environment such as water are critical for its key role in determining the lifetime and stability of CNT based nano-fluidic devices. The effect of chirality, defects and the density of water encapsulation is studied by subjecting the SWCNT to torsion. The findings show that the torsional strength of SWCNT decreases due to interaction of water molecules and presence of defects in the SWCNT. Additionally,for the case of water molecules encapsulated inside SWCNT, the torsional response depends on the density of packing of water molecules. Our findings and conclusions obtained from this paper is expected to further compliment the potential applications of CNTs as promising candidates for applications in nano-biological and nano-fluidic devices.

CFD Analysis of Ship-to-Ship Hydrodynamic Interaction

A numerical study of ship-to-ship interaction forces is performed using a commercial CFD code,and the results are compared with experimental data and with the results of a panel method analysis.Two ship models have been used in the interaction forces analysis:a tug and a tanker,advancing parallel to each other with different lateral distances and two different values of the fluid depth.Computations are carried out with four different flow models:inviscid and viscous flow with the free surface modeled as a rigid wall and inviscid and viscous flow with the deformable free surface.A fair agreement was obtained with available experimental data and results obtained by panel method.The influence of viscosity in the computations is found to be comparatively weak,while the wavemaking effects may be important,at small magnitude of the horizontal clearance.

Dynamic interaction nursing intervention on functional rehabilitation and self-care ability of patients after aneurysm surgery

BACKGROUND Nursing practices based on the dynamic interaction model have been shown to be superior to generic nursing practices.However,whether this model is effective in patients recovering from intracranial aneurysm surgery is not well studied.AIM To investigate the effect of nursing based on a dynamic interaction model on functional rehabilitation of patients after aneurysm surgery.METHODS A total of 86 cases in our hospital with intracranial aneurysm from April 2019 to April 2021,were selected and divided into the study group and the control group,with 43 patients in each group.The control group received routine nursing,and the research group received nursing intervention based on a dynamic interaction model.The daily living ability(activities of daily living,ADL),cognitive function(Simple Intelligent Mental State Scale,MMSE),quality of life(Generic Quality of Life Inventory-74,GQOL-74),self-care ability(Exercise of Self-Care Agency scale),incidence of complications,and nursing satisfaction were recorded before and after intervention.RESULTS Before intervention,ADL(52.09±6.44),MMSE(18.03±4.11),and GQOL-74(53.68±4.34)scores in the study group were not significantly different from those in the control group(ADL:50.97±7.32,MMSE:17.59±3.82,GQOL-74:55.06±3.98)(P>0.05).After intervention,ADL(86.12±5.07),MMSE(26.64±2.66),and GQOL-74(83.13±5.67)scores in the study group were higher than those in the control group(ADL:79.81±6.35,MMSE:24.51±3.00,and GQOL-74:77.96±6.27)(P<0.05).Before intervention,self-concept(17.46±4.44),self-care skills(25.22±4.20),self-care knowledge(22.35±4.74),and self-care responsibility(15.06±3.29)scores in the study group was similar to those in the control group(self-concept:16.89±5.53,self-care skills:24.59±4.46,self-care knowledge:21.80±3.61,and self-care responsibility:14.83±3.11)(P>0.05).After the intervention,self-concept(26.01±3.18),self-care skills(37.68±6.05),self-care knowledge(45.56±5.83),and self-care responsibility(22.01±3.77)scores in the study group were higher than those in the control group(self-concept:22.97±3.46,self-care skills:33.02±5.65,selfcare skills knowledge:36.81±5.54,and self-care responsibility:17.97±3.56 points)(P<0.05).The incidence of complications in the study group(4.65%)was lower than that in the control group(18.60%)(P<0.05).Nursing satisfaction in the study group(95.35%)was higher than that in the control group(81.40%)(P<0.05).CONCLUSION Nursing intervention based on a dynamic interaction model can improve postoperative cognitive function,daily living ability,self-care ability,quality of life,and patient satisfaction,while reducing the risk of complications.

Dynamic Response of Fluid-Single Leg Gravity Platform-Soil Interaction System

- An approximate method is presented to investigate the earthquake response of the fluid-single leg (shortened for S. L.) gravity platform-soil interaction system. By assuming a suitable form of the velocity potential of the radiation waves and by using the motion equation and the boundary conditions, the unknown coefficients can be obtained. Thereafter the function of frequency for the interaction system may also be obtained. In this paper, the difference of the system dynamic response between rigid foundation is analyzed and the influences of the various foundation geometric dimension and the various water-depth on the hydrodynamic loading and dynamic response of the system is illustrated.

Protist Interactions and Seasonal Dynamics in the Coast of Yantai, Northern Yellow Sea of China as Revealed by Metabarcoding

Facilitated by the high-throughput sequencing(HTS)technique,the importance of protists to aquatic systems has been widely acknowledged in the last decade.However,information of protistan biotic interactions and seasonal dynamics is much less known in the coast ecosystem with intensive anthropic disturbance.In this study,year-round changes of protist community composition and diversity in the coastal water of Yantai,a city along the northern Yellow Sea in China,were investigated using HTS for the V4 region of 18S rDNA.The interactions among protist groups were also analyzed using the co-occurrence network.Data analyses showed that Alveolata,Chlorophyta,and Stramenopiles are the most dominant phytoplanktonic protists in the investigated coastal area.The community composition displayed strong seasonal variation.The abundant families Dino-Group-I-Clade-1 and Ulotrichales_X had higher proportions in spring and summer,while Bathycoccaceae exhibited higher ratios in autumn and winter.Alpha diversities(Shannon and Simpson)were the highest in autumn and the lowest in spring(ANOVA test,P<0.05).Nutrients(SiO42−,PO43−),total organic carbon(TOC),and pH seemed to drive the variation of alpha diversity,while temperature,PO43−and TON were the most significant factors influencing the whole protist community.Co-variance network analyses reveal frequent co-occurrence events among ciliates,chlorophytes and dinoflagellate,suggesting biotic interactions have been induced by predation,parasitism and mixotrophy.

DYNAMIC PRINCIPLE FOR INTERACTION BETWEEN HEART AND ARTERIAL SYSTEM

Various steady models for interaction between heart and arterial system have been given in liter-ature,In our recent study,a dynamic principle,i.e.the principle of least cardiac work is proposed,and a dy-namic model for interaction of heart and arterial system is established.Preliminary results of our experiments showthat both the principle and the model are consistent with the physiological phenomena.It reveals that the pres-ent analysis may offer a new measure for the study of dynamic process of interaction between heart andarterial system.

On dynamic analysis method for large-scale train-track-substructure interaction

Train–track–substructure dynamic interaction is an extension of the vehicle–track coupled dynamics.It contributes to evaluate dynamic interaction and performance between train–track system and its substructures.For the first time,this work devotes to presenting engineering practical methods for modeling and solving such large-scale train–track–substructure interaction systems from a unified viewpoint.In this study,a train consists of several multi-rigid-body vehicles,and the track is modeled by various finite elements.The track length needs only satisfy the length of a train plus boundary length at two sides,despite how long the train moves on the track.The substructures and their interaction matrices to the upper track are established as independent modules,with no need for additionally building the track structures above substructures,and accordingly saving computational cost.Track–substructure local coordinates are defined to assist the confirming of the overlapped portions between the train–track system and the substructural system to effectively combine the cyclic calculation and iterative solution procedures.The advancement of this model lies in its convenience,efficiency and accuracy in continuously considering the vibration participation of multi-types of substructures against the moving of a train on the track.Numerical examples have shown the effectiveness of this method;besides,influence of substructures on train–track dynamic behaviors is illustrated accompanied by clarifying excitation difference of different track irregularity spectrums.

Ground substrates classification and adaptive walking through interaction dynamics for legged robots

Adaptive locomotion in different types of surfaces is of critical importance for legged robots.The knowledge of various ground substrates,especially some geological properties,plays an essential role in ensuring the legged robots'safety.In this paper,the interaction between the robots and the environments is investigated through interaction dynamics with the closed-loop system model,the compliant contact model,and the friction model,which unveil the influence of environment's geological characteristics for legged robots'locomotion.The proposed method to classify substrates is based on the interaction dynamics and the sensory-motor coordination.The foot contact forces,joint position errors,and joint motor currents,which reflect body dynamics,are measured as the sensing variables.We train and classify the features extracted from the raw data with a multilevel weighted k-Nearest Neighbor(kNN) algorithm.According to the interaction dynamics,the strategy of adaptive walking is developed by adjusting the touchdown angles and foot trajectories while lifting up and dropping down the foot.Experiments are conducted on five different substrates with quadruped robot FROG-I.The comparison with other classification methods and adaptive walking between different substrates demonstrate the effectiveness of our approach.

Evaluation of Dynamic Soil-Structure Interaction and Dynamic Seismic Soil Pressures Acting on It Subjected to Strong Earthquake Motions

In order to clarify the damage mechanism of the subway structure, the dynamic soil-structure interaction and the dynamic forces acting on the structure, a series of shaking table tests and simulation analyses were performed. The seismic response of the structure and the dynamic forces acting on the structure due to sinusoidal and random waves were investigated with special attention to the dynamic soil-structure interaction. The result shows that the compression seismic soil pressures and extension seismic soil pressures simultaneously act on the sidewalls, and big shear stress also acts on the ceiling slab due to horizontal excitation. The seismic soil pressure could be approximated to hyperbola curve, and reached a peak value with increase of the shear strain of the model ground. In addition, a slide and exfoliation phenomenon between the structure and the surrounding ground was simulated, using the nonlinear analyses. The foundation is provided for amending the calculation method of seismic soil pressure and improving the anti-earthquake designing level of underground structure.