Earth’s magnetopause is a thin boundary separating the shocked solar wind plasma from the magnetospheric plasmas,and it is also the boundary of the solar wind energy transport to the magnetosphere.Soft X-ray imaging ...Earth’s magnetopause is a thin boundary separating the shocked solar wind plasma from the magnetospheric plasmas,and it is also the boundary of the solar wind energy transport to the magnetosphere.Soft X-ray imaging allows investigation of the large-scale magnetopause by providing a two-dimensional(2-D)global view from a satellite.By performing 3-D global hybrid-particle-in-cell(hybrid-PIC)simulations,we obtain soft X-ray images of Earth’s magnetopause under different solar wind conditions,such as different plasma densities and directions of the southward interplanetary magnetic field.In all cases,magnetic reconnection occurs at low latitude magnetopause.The soft X-ray images observed by a hypothetical satellite are shown,with all of the following identified:the boundary of the magnetopause,the cusps,and the magnetosheath.Local X-ray emissivity in the magnetosheath is characterized by large amplitude fluctuations(up to 160%);however,the maximum line-of-sight-integrated X-ray intensity matches the tangent directions of the magnetopause well,indicating that these fluctuations have limited impact on identifying the magnetopause boundary in the X-ray images.Moreover,the magnetopause boundary can be identified using multiple viewing geometries.We also find that solar wind conditions have little effect on the magnetopause identification.The Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)mission will provide X-ray images of the magnetopause for the first time,and our global hybrid-PIC simulation results can help better understand the 2-D X-ray images of the magnetopause from a 3-D perspective,with particle kinetic effects considered.展开更多
We derived the properties of the terrestrial magnetopause(MP)from two modeling approaches,one global–fluid,the other local–kinetic,and compared the results with data collected in situ by the Magnetospheric Multiscal...We derived the properties of the terrestrial magnetopause(MP)from two modeling approaches,one global–fluid,the other local–kinetic,and compared the results with data collected in situ by the Magnetospheric Multiscale 2(MMS2)spacecraft.We used global magnetohydrodynamic(MHD)simulations of the Earth’s magnetosphere(publicly available from the NASA-CCMC[National Aeronautics and Space Administration–Community Coordinated Modeling Center])and local Vlasov equilibrium models(based on kinetic models for tangential discontinuities)to extract spatial profiles of the plasma and field variables at the Earth’s MP.The global MHD simulations used initial solar wind conditions extracted from the OMNI database at the time epoch when the MMS2 observes the MP.The kinetic Vlasov model used asymptotic boundary conditions derived from the same in situ MMS measurements upstream or downstream of the MP.The global MHD simulations provide a three-dimensional image of the magnetosphere at the time when the MMS2 crosses the MP.The Vlasov model provides a one-dimensional local view of the MP derived from first principles of kinetic theory.The MMS2 experimental data also serve as a reference for comparing and validating the numerical simulations and modeling.We found that the MP transition layer formed in global MHD simulations was generally localized closer to the Earth(roughly by one Earth radius)from the position of the real MP observed by the MMS.We also found that the global MHD simulations overestimated the thickness of the MP transition by one order of magnitude for three analyzed variables:magnetic field,density,and tangential speed.The MP thickness derived from the local Vlasov equilibrium was consistent with observations for all three of these variables.The overestimation of density in the Vlasov equilibrium was reduced compared with the global MHD solutions.We discuss our results in the context of future SMILE(Solar wind Magnetosphere Ionosphere Link Explorer)campaigns for observing the Earth’s MP.展开更多
Solar wind charge exchange produces emissions in the soft X-ray energy range which can enable the study of near-Earth space regions such as the magnetopause,the magnetosheath and the polar cusps by remote sensing tech...Solar wind charge exchange produces emissions in the soft X-ray energy range which can enable the study of near-Earth space regions such as the magnetopause,the magnetosheath and the polar cusps by remote sensing techniques.The Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)and Lunar Environment heliospheric X-ray Imager(LEXI)missions aim to obtain soft Xray images of near-Earth space thanks to their Soft X-ray Imager(SXI)instruments.While earlier modeling works have already simulated soft X-ray images as might be obtained by SMILE SXI during its mission,the numerical models used so far are all based on the magnetohydrodynamics description of the space plasma.To investigate the possible signatures of ion-kinetic-scale processes in soft Xray images,we use for the first time a global hybrid-Vlasov simulation of the geospace from the Vlasiator model.The simulation is driven by fast and tenuous solar wind conditions and purely southward interplanetary magnetic field.We first produce global X-ray images of the dayside near-Earth space by placing a virtual imaging satellite at two different locations,providing meridional and equatorial views.We then analyze regional features present in the images and show that they correspond to signatures in soft X-ray emissions of mirrormode wave structures in the magnetosheath and flux transfer events(FTEs)at the magnetopause.Our results suggest that,although the time scales associated with the motion of those transient phenomena will likely be significantly smaller than the integration time of the SMILE and LEXI imagers,mirror-mode structures and FTEs can cumulatively produce detectable signatures in the soft X-ray images.For instance,a local increase by 30%in the proton density at the dayside magnetopause resulting from the transit of multiple FTEs leads to a 12%enhancement in the line-of-sight-and time-integrated soft X-ray emissivity originating from this region.Likewise,a proton density increase by 14%in the magnetosheath associated with mirror-mode structures can result in an enhancement in the soft X-ray signal by 4%.These are likely conservative estimates,given that the solar wind conditions used in the Vlasiator run can be expected to generate weaker soft X-ray emissions than the more common denser solar wind.These results will contribute to the preparatory work for the SMILE and LEXI missions by providing the community with quantitative estimates of the effects of small-scale,transient phenomena occurring on the dayside.展开更多
Vehicle-to-Everything(V2X) communications will be an essential part of the technology in future autonomous drive decision systems.A fundamental procedure is to establish a robust communication channel between end-to-e...Vehicle-to-Everything(V2X) communications will be an essential part of the technology in future autonomous drive decision systems.A fundamental procedure is to establish a robust communication channel between end-to-end devices.Due to the antenna placed at different positions on vehicles,the existing cellular electro-magnetic(EM) wave propagation modelling does not fit properly for V2X direct communication application.In order to figure out a feasible understanding of this problem,this paper focuses on the propagation channel analysis in a rural Vehicle-to-Vehicle(V2V) scenario for vehicular communication with antenna position experiments at different heights.By adopting the ray-tracing algorithm,a rural scenario simulation model is built up via the use of a commercial-off-the-shelf(COTS) EM modelling software package,that computes the path loss received power and delay spread for a given propagation channel.Next,a real-world vehicle measurement campaign was performed to verify the simulation results.The simulated and measured receiver power was in good agreement with each other,and the results of this study considered two antenna types located at three different relative heights between the two vehicles.This research provides constructive guidance for the V2V antenna characteristics,antenna placement and vehicle communication channel analysis.展开更多
The maintenance of safety and dependability in rail and road embankments is of utmost importance in order to facilitate the smooth operation of transportation networks.This study introduces a comprehensive methodology...The maintenance of safety and dependability in rail and road embankments is of utmost importance in order to facilitate the smooth operation of transportation networks.This study introduces a comprehensive methodology for soil slope stability evaluation,employing Monte Carlo Simulation(MCS)and Subset Simulation(SS)with the"UPSS 3.0 Add-in"in MS-Excel.Focused on an 11.693-meter embankment with a soil slope(inclination ratio of 2H:1V),the investigation considers earthquake coefficients(kh)and pore water pressure ratios(ru)following Indian zoning requirements.The chance of slope failure showed a considerable increase as the Coefficient of Variation(COV),seismic coefficients(kh),and pore water pressure ratios(ru)experienced an escalation.The SS approach showed exceptional efficacy in calculating odds of failure that are notably low.Within computational modeling,the study optimized the worst-case scenario using ANFIS-GA,ANFIS-GWO,ANFIS-PSO,and ANFIS-BBO models.The ANFIS-PSO model exhibits exceptional accuracy(training R2=0.9011,RMSE=0.0549;testing R2=0.8968,RMSE=0.0615),emerging as the most promising.This study highlights the significance of conducting thorough risk assessments and offers practical insights into evaluating and improving the stability of soil slopes in transportation infrastructure.These findings contribute to the enhancement of safety and reliability in real-world situations.展开更多
Dear Editor,This letter presents a biocompatible cross-shaped magnetic soft robot and investigates its deformation mode control strategy through COMSOL modeling and simulation.Magnetic soft robots offer novel avenues ...Dear Editor,This letter presents a biocompatible cross-shaped magnetic soft robot and investigates its deformation mode control strategy through COMSOL modeling and simulation.Magnetic soft robots offer novel avenues for precise treatment within intricate regions of the human body.展开更多
This study investigates the single-pass absorption(SPA) of ion cyclotron range of frequency(ICRF) heating in hydrogen plasma of the EXL-50U spherical tokamak,which is an upgraded EXL-50 device with a central solenoid ...This study investigates the single-pass absorption(SPA) of ion cyclotron range of frequency(ICRF) heating in hydrogen plasma of the EXL-50U spherical tokamak,which is an upgraded EXL-50 device with a central solenoid and a stronger magnetic field.The reliability of the kinetic dispersion equation is confirmed by the one-dimensional full-wave code,and the applicability of Porkolab's simplified theoretical SPA model is discussed based on the kinetic dispersion equation.Simulations are conducted to investigate the heating effects of the fundamental and second harmonic frequencies.The results indicate that with the design parameters of the EXL-50U device,the SPA for second harmonic heating is 63%,while the SPA for fundamental heating is 13%.Additionally,the optimal injection frequencies are 23 MHz at 0.9 T and 31 MHz at 1.2 T.The wave vector of the antenna parallel to the magnetic field,with a value of k_‖=7.5 m^(-1),falls within the optimal heating region.Simulations reveal that the ICRF heating system can play an important role in the ion heating of the EXL-50U.展开更多
Alpine treeline ecotones are highly sensitive to climate warming.The low temperature-determined alpine treeline is expected to shift upwards in response to global warming.However,little is known about how temperature ...Alpine treeline ecotones are highly sensitive to climate warming.The low temperature-determined alpine treeline is expected to shift upwards in response to global warming.However,little is known about how temperature interacts with other important factors to influence the distribution range of tree species within and beyond the alpine treeline ecotone.Hence,we used a GF-2 satellite image,along with bioclimatic and topographic variables,to develop an ensemble suitable habitat model based on the species distribution modeling algorithms in Biomod2.We investigated the distribution of suitable habitats for B.ermanii under three climate change scenarios(i.e.,low(SSP126),moderate(SSP370)and extreme(SSP585)future emission trajectories)between two consecutive time periods(i.e.,current-2055,and 2055-2085).By 2055,the potential distribution range of B.ermanii will expand under all three climate scenarios.The medium and high suitable areas will decline under SSP370 and SSP585scenarios from 2055 to 2085.Moreover,under the three climate scenarios,the uppermost altitudes of low suitable habitat will rise to 2,329 m a.s.l.,while the altitudes of medium and high suitable habitats will fall to 2,201 and2,051 m a.s.l.by 2085,respectively.Warming promotes the expansion of B.ermanii distribution range in Changbai Mountain,and this expansion will be modified by precipitation as climate warming continues.This interaction between temperature and precipitation plays a significant role in shaping the potential distribution range of B.ermanii in the alpine treeline ecotone.This study reveals the link between environmental factors,habitat distribution,and species distribution in the alpine treeline ecotone,providing valuable insights into the impacts of climate change on high-elevation vegetation,and contributing to mountain biodiversity conservation and sustainable development.展开更多
Traditional single-satellite passive localization algorithms are influenced by frequency and angle measurement accuracies,resulting in error estimation of emitter position on the order of kilometers.Subsequently,a sin...Traditional single-satellite passive localization algorithms are influenced by frequency and angle measurement accuracies,resulting in error estimation of emitter position on the order of kilometers.Subsequently,a single-satellite localization algorithm based on passive synthetic aper-ture(PSA)was introduced,enabling high-precision positioning.However,its estimation of azimuth and range distance is considerably affected by the residual frequency offset(RFO)of uncoopera-tive system transceivers.Furthermore,it requires data containing a satellite flying over the radia-tion source for RFO search.After estimating the RFO,an accurate estimation of azimuth and range distance can be carried out,which is difficult to achieve in practical situations.An LFM radar source passive localization algorithm based on range migration is proposed to address the dif-ficulty in estimating frequency offset.The algorithm first provides a rough estimate of the pulse repetition time(PRT).It processes intercepted signals through range compression,range interpola-tion,and polynomial fitting to obtain range migration observations.Subsequently,it uses the changing information of range migration and an accurate PRT to formulate a system of nonlinear equations,obtaining the emitter position and a more accurate PRT through a two-step localization algorithm.Frequency offset only induces a fixed offset in range migration,which does not affect the changing information.This algorithm can also achieve high-precision localization in squint scenar-ios.Finally,the effectiveness of this algorithm is verified through simulations.展开更多
The variations of the frontogenetic trend of a cold filament induced by the cross-filament wind and wave fields are studied by a non-hydrostatic large eddy simulation. Five cases with different strengths of wind and w...The variations of the frontogenetic trend of a cold filament induced by the cross-filament wind and wave fields are studied by a non-hydrostatic large eddy simulation. Five cases with different strengths of wind and wave fields are studied.The results show that the intense wind and wave fields further break the symmetries of submesoscale flow fields and suppress the levels of filament frontogenesis. The changes of secondary circulation directions—that is, the conversion between the convergence and divergence of the surface cross-filament currents with the downwelling and upwelling jets in the filament center—are associated with the inertial oscillation. The filament frontogenesis and frontolysis caused by the changes of secondary circulation directions may periodically sharpen and smooth the gradient of submesoscale flow fields.The lifecycle of the cold filament may include multiple stages of filament frontogenesis and frontolysis.展开更多
Objective: To explore the effectiveness of applying patient simulators combined with Internet Plus scenario simulation teaching models on intravenous (IV) infusion nursing education, and to provide scientific evidence...Objective: To explore the effectiveness of applying patient simulators combined with Internet Plus scenario simulation teaching models on intravenous (IV) infusion nursing education, and to provide scientific evidence for the implementation of advanced teaching models in future nursing education. Methods: Enrolled 60 nurses who took the IV infusion therapy training program in our hospital from January 2022 to December 2023 for research. 30 nurses who were trained in traditional teaching models from January to December 2022 were selected as the control group, and 30 nurses who were trained with simulation-based teaching models with methods including simulated patients, internet, online meetings which can be replayed and scenario simulation, etc. from January to December 2023 were selected as the experimental group. Evaluated the learning outcomes based on the Competency Inventory for Nursing Students (CINS), Problem-Solving Inventory (PSI), comprehensive learning ability, scientific research ability, and proficiency in the theoretical knowledge and practical skills of IV infusion therapy. Nursing quality, the incidence of IV infusion therapy complications and nurse satisfaction with different teaching models were also measured. Results: The scientific research ability, PSI scores, CINS scores, and comprehensive learning ability of the experimental group were better than those of the control group (P 0.05), and their assessment results of practical skills, nursing quality of IV infusion therapy during training, and satisfaction with teaching models were all better than those of the control group with statistical significance (P < 0.05). The incidence of IV infusion therapy complications in the experimental group was lower than that in the control group, indicating statistical significance (P < 0.05). Conclusions: Teaching models based on patient simulators combined with Internet Plus scenario simulation enable nursing students to learn more directly and practice at any time and in any place, and can improve their proficiency in IV infusion theoretical knowledge and skills (e.g. PICC catheterization), core competencies, problem-solving ability, comprehensive learning ability, scientific research ability and the ability to deal with complicated cases. Also, it helps provide high-quality nursing education, improve the nursing quality of IV therapy, reduce the incidence of related complications, and ensure the safety of patients with IV therapy.展开更多
The rotor is the most important component of rotating machinery,and the vibration produced by its mass unbalance has a serious influence on the secure and steady operation of the machine,so an effective online suppres...The rotor is the most important component of rotating machinery,and the vibration produced by its mass unbalance has a serious influence on the secure and steady operation of the machine,so an effective online suppression technology is urgently needed.A new hydraulic unbalanced bionic self-recovery system is introduced,imitating the way of manually repairing faulty equipment.To accomplish the effect of actuator mass redistribution,the technology employs pressurized air to drive the quantitative transfer of liquid in the reservoir cavity at opposite positions.It can complete the online adjustment of the equipment's balancing state and suppress the unbalanced vibration of equipment in real time,which gives the equipment the ability to maintain an autonomous health state and improve equipment performance.The composition and working principle of the system are introduced in detail,and the key performance parameters,such as the minimum running speed and the balancing liquid transfer speed,are analyzed theoretically.The fluid-solid coupling model of the actuator was established,and the two-phase flow from inside the hydraulic unbalanced bionic self-recovery actuator was simulated under multiple working conditions and the performance parameters were quantitatively analyzed.A balancing simulation test bed was built,and its effectiveness was verified by performance parameter tests and unbalanced bionic self-recovery experiments.The experimental results show that the mass distribution adjustment of the balancing disk can be achieved using different viscosity balancing liquid,and the response of liquid viscosity 10 cSt is faster than that of liquid viscosity 100 cSt in the process of balancing liquid transfer,and the time is reduced by more than 75%;the system can reduce the simulated rotor amplitude from 18.3μm to 10.6μm online in real time,which provides technical support for the subsequent development of a new generation of bionic intelligent equipment.展开更多
Accurate measurements of the radon exhalation rate help identify and evaluate radon risk regions in the environment.Among these measurement methods,the closed-loop method is frequently used.However,traditional experim...Accurate measurements of the radon exhalation rate help identify and evaluate radon risk regions in the environment.Among these measurement methods,the closed-loop method is frequently used.However,traditional experiments are insufficient or cannot analyze the radon migration and exhalation patterns at the gas–solid interface in the accumulation chamber.The CFD-based technique was applied to predict the radon concentration distribution in a limited space,allowing radon accumulation and exhalation inside the chamber intuitively and visually.In this study,three radon exhalation rates were defined,and two structural ventilation tubes were designed for the chamber.The consistency of the simulated results with the variation in the radon exhalation rate in a previous experiment or analytical solution was verified.The effects of the vent tube structure and flow rate on the radon uniformity in the chamber;permeability,insertion depth,and flow rate on the radon exhalation rate and the effective diffusion coefficient on back-diffusion were investigated.Based on the results,increasing the inser-tion depth from 1 to 5 cm decreased the effective decay constant by 19.55%,whereas the curve-fitted radon exhalation rate decreased(lower than the initial value)as the deviation from the initial value increased by approximately 7%.Increasing the effective diffusion coefficient from 2.77×10^(-7) to 7.77×10^(-6) m^(2) s^(-1) made the deviation expand from 2.14 to 15.96%.The conclusion is that an increased insertion depth helps reduce leakage in the chamber,subject to notable back-diffusion,and that the closed-loop method is reasonably used for porous media with a low effective diffusion coefficient in view of the back-diffusion effect.The CFD-based simulation is expected to provide guidance for the optimization of the radon exhalation rate measurement method and,thus,the accurate measurement of the radon exhalation rate.展开更多
Shear-thinning fluids have been widely used in microfluidic systems,but their internal flow mechanism is still unclear.Therefore,in this paper,molecular dynamics simulations are used to study the laminar flow of shear...Shear-thinning fluids have been widely used in microfluidic systems,but their internal flow mechanism is still unclear.Therefore,in this paper,molecular dynamics simulations are used to study the laminar flow of shear-thinning fluid in a microchannel.We validated the feasibility of our simulation method by evaluating the mean square displacement and Reynolds number of the solution layers.The results show that the change rule of the fluid system's velocity profile and interaction energy can reflect the shear-thinning characteristics of the fluids.The velocity profile resembles a top-hat shape,intensifying as the fluid's power law index decreases.The interaction energy between the wall and the fluid decreases gradually with increasing velocity,and a high concentration of non-Newtonian fluid reaches a plateau sooner.Moreover,the velocity profile of the fluid is related to the molecule number density distribution and their values are inversely proportional.By analyzing the radial distribution function,we found that the hydrogen bonds between solute and water molecules weaken with the increase in velocity.This observation offers an explanation for the shear-thinning phenomenon of the non-Newtonian flow from a micro perspective.展开更多
Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of poros...Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics simulations.Firstly,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental data.The pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock wave.The microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete compaction.Finally,it leads to stress relaxation and velocity homogenization.The shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of density.Besides,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the system.The energy is dissipated mainly through the multiple interactions of the waves under shock.The energy is dissipated mainly by the friction between atoms under non-shock.展开更多
Electromagnetic stirring is one of the widely applied techniques to modify the quality of casting billets.Different from conventional rotate stirring,the helical stirring is more professional in assisting multi-dimens...Electromagnetic stirring is one of the widely applied techniques to modify the quality of casting billets.Different from conventional rotate stirring,the helical stirring is more professional in assisting multi-dimensional flow of molten metal and eliminating solidification defects.In this study,the single-winding helical stirring(SWHS)was introduced,offering advantages such as smaller volume and lower electromagnetic shielding compared to traditional helical stirring methods.Following a comprehensive numerical simulation,the stirring parameters of SWHS were adjusted to yoke inclination angle of 43°and frequency of 12 Hz.The higher electromagnetic force and flow velocity in drawing direction,as well as the lower temperature gradient induced by the SWHS,are positive factors for homogeneous solidification of billet.The experimental results on Al-8%Si alloy and 0.4%C-1.1%Mn steel demonstrate that compared to rotate stirring,the SWHS process can induce better billet quality and is more effective in accelerating the equiaxed expansion and reducing element segregation.The SWHS process can enhance the equiaxed ratio of the billet by 58.3%and reduce segregation degree of carbon element by 10.97%.Consequently,SWHS holds great promise as a potential approach for improving the quality of continuous casting billets.展开更多
Temperature effect on atomic deformation of nanotwinned Ni (nt-Ni) under localized nanoindentation is investigated in comparison with nanocrystalline Ni (nc-Ni) through molecular simulation.The nt-Ni exhibits enhanced...Temperature effect on atomic deformation of nanotwinned Ni (nt-Ni) under localized nanoindentation is investigated in comparison with nanocrystalline Ni (nc-Ni) through molecular simulation.The nt-Ni exhibits enhanced critical load and hardness compared to nc-Ni,where perfect,stair-rod and Shockley dislocations are activated at (111),(111) and (111) slip planes in nt-Ni compared to only SSockley dislocation nucleation at (111) and (111) slip planes of nc-Ni.The nt-Ni exhibits a less significant indentation size effect in comparison with nc-Ni due to the dislocation slips hindrance of the twin boundary.The atomic deformation associated with the indentation size effect is investigated during dislocation transmission.Different from the decreasing partial slips parallel to the indenter surface in nc-Ni with increasing temperature,the temperaturedependent atomic deformation of nt-Ni is closely related to the twin boundary:from the partial slips parallel to the twin boundary (~10 K),to increased confined layer slips and decreased twin migration(300 K–600 K),to decreased confined layer slips and increased dislocation interaction of dislocation pinning and dissociation (900 K–1200 K).Dislocation density and atomic structure types through quantitative analysis are implemented to further reveal the above-mentioned dislocation motion and atomic structure alteration.Our study is helpful for understanding the temperature-dependent plasticity of twin boundary in nanotwinned materials.展开更多
The rapid advancement and broad application of machine learning(ML)have driven a groundbreaking revolution in computational biology.One of the most cutting-edge and important applications of ML is its integration with...The rapid advancement and broad application of machine learning(ML)have driven a groundbreaking revolution in computational biology.One of the most cutting-edge and important applications of ML is its integration with molecular simulations to improve the sampling efficiency of the vast conformational space of large biomolecules.This review focuses on recent studies that utilize ML-based techniques in the exploration of protein conformational landscape.We first highlight the recent development of ML-aided enhanced sampling methods,including heuristic algorithms and neural networks that are designed to refine the selection of reaction coordinates for the construction of bias potential,or facilitate the exploration of the unsampled region of the energy landscape.Further,we review the development of autoencoder based methods that combine molecular simulations and deep learning to expand the search for protein conformations.Lastly,we discuss the cutting-edge methodologies for the one-shot generation of protein conformations with precise Boltzmann weights.Collectively,this review demonstrates the promising potential of machine learning in revolutionizing our insight into the complex conformational ensembles of proteins.展开更多
Recently,researchers have proposed an emitter localization method based on passive synthetic aperture.However,the unknown residual frequency offset(RFO)between the transmit-ter and the receiver causes the received Dop...Recently,researchers have proposed an emitter localization method based on passive synthetic aperture.However,the unknown residual frequency offset(RFO)between the transmit-ter and the receiver causes the received Doppler signal to shift,which affects the localization accu-racy.To solve this issue,this paper proposes a RFO estimation method based on range migration fitting.Due to the high frequency modulation slope of the linear frequency modulation(LFM)-mod-ulation radar signal,it is not affected by RFO in range compression.Therefore,the azimuth time can be estimated by fitting the peak value position of the pulse compression in range direction.Then,the matched filters are designed under different RFOs.When the zero-Doppler time obtained by the matched filters is consistent with the estimated azimuth time,the given RFO is the real RFO between the transceivers.The simulation results show that the estimation error of azimuth distance does not exceed 20 m when the received signal duration is not less than 3 s,the pulse repe-tition frequency(PRF)of the transmitter radar signal is not less than 1 kHz,the range detection is not larger than 1000 km,and the signal noise ratio(SNR)is not less than-5 dB.展开更多
基金supported by the National Natural Science Foundation of China(NNSFC)grants 42074202,42274196Strategic Priority Research Program of Chinese Academy of Sciences grant XDB41000000ISSI-BJ International Team Interaction between magnetic reconnection and turbulence:From the Sun to the Earth。
文摘Earth’s magnetopause is a thin boundary separating the shocked solar wind plasma from the magnetospheric plasmas,and it is also the boundary of the solar wind energy transport to the magnetosphere.Soft X-ray imaging allows investigation of the large-scale magnetopause by providing a two-dimensional(2-D)global view from a satellite.By performing 3-D global hybrid-particle-in-cell(hybrid-PIC)simulations,we obtain soft X-ray images of Earth’s magnetopause under different solar wind conditions,such as different plasma densities and directions of the southward interplanetary magnetic field.In all cases,magnetic reconnection occurs at low latitude magnetopause.The soft X-ray images observed by a hypothetical satellite are shown,with all of the following identified:the boundary of the magnetopause,the cusps,and the magnetosheath.Local X-ray emissivity in the magnetosheath is characterized by large amplitude fluctuations(up to 160%);however,the maximum line-of-sight-integrated X-ray intensity matches the tangent directions of the magnetopause well,indicating that these fluctuations have limited impact on identifying the magnetopause boundary in the X-ray images.Moreover,the magnetopause boundary can be identified using multiple viewing geometries.We also find that solar wind conditions have little effect on the magnetopause identification.The Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)mission will provide X-ray images of the magnetopause for the first time,and our global hybrid-PIC simulation results can help better understand the 2-D X-ray images of the magnetopause from a 3-D perspective,with particle kinetic effects considered.
基金support from the European Space Agency(ESA)PRODEX(PROgramme de Développement d’Expériences scientifiques)Project mission(No.PEA4000134960)Partial funding was provided by the Romanian Ministry of Research,Innovation and Digitalization under Romanian National Core Program LAPLAS VII(Contract No.30N/2023)+2 种基金the Belgian Solar-Terrestrial Centre of Excellencesupported by the project Belgian Research Action through Interdisciplinary Networks(BRAIN-BE)2.0(Grant No.B2/223/P1/PLATINUM)funded by the Belgian Office for Research(BELSPO)partially supported by a grant from the Romanian Ministry of Education and Research(CNCS-UEFISCDI,Project No.PN-III-P1-1.1TE-2021-0102)。
文摘We derived the properties of the terrestrial magnetopause(MP)from two modeling approaches,one global–fluid,the other local–kinetic,and compared the results with data collected in situ by the Magnetospheric Multiscale 2(MMS2)spacecraft.We used global magnetohydrodynamic(MHD)simulations of the Earth’s magnetosphere(publicly available from the NASA-CCMC[National Aeronautics and Space Administration–Community Coordinated Modeling Center])and local Vlasov equilibrium models(based on kinetic models for tangential discontinuities)to extract spatial profiles of the plasma and field variables at the Earth’s MP.The global MHD simulations used initial solar wind conditions extracted from the OMNI database at the time epoch when the MMS2 observes the MP.The kinetic Vlasov model used asymptotic boundary conditions derived from the same in situ MMS measurements upstream or downstream of the MP.The global MHD simulations provide a three-dimensional image of the magnetosphere at the time when the MMS2 crosses the MP.The Vlasov model provides a one-dimensional local view of the MP derived from first principles of kinetic theory.The MMS2 experimental data also serve as a reference for comparing and validating the numerical simulations and modeling.We found that the MP transition layer formed in global MHD simulations was generally localized closer to the Earth(roughly by one Earth radius)from the position of the real MP observed by the MMS.We also found that the global MHD simulations overestimated the thickness of the MP transition by one order of magnitude for three analyzed variables:magnetic field,density,and tangential speed.The MP thickness derived from the local Vlasov equilibrium was consistent with observations for all three of these variables.The overestimation of density in the Vlasov equilibrium was reduced compared with the global MHD solutions.We discuss our results in the context of future SMILE(Solar wind Magnetosphere Ionosphere Link Explorer)campaigns for observing the Earth’s MP.
基金the European Research Council for starting grant 200141-QuESpace,with which the Vlasiator model was developedconsolidator grant 682068-PRESTISSIMO awarded for further development of Vlasiator and its use in scientific investigations+4 种基金Academy of Finland grant numbers 338629-AERGELC’H,339756-KIMCHI,336805-FORESAIL,and 335554-ICT-SUNVACThe Academy of Finland also supported this work through the PROFI4 grant(grant number 3189131)support from the NASA grants,80NSSC20K1670 and 80MSFC20C0019the NASA GSFC FY23 IRADHIF funds。
文摘Solar wind charge exchange produces emissions in the soft X-ray energy range which can enable the study of near-Earth space regions such as the magnetopause,the magnetosheath and the polar cusps by remote sensing techniques.The Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)and Lunar Environment heliospheric X-ray Imager(LEXI)missions aim to obtain soft Xray images of near-Earth space thanks to their Soft X-ray Imager(SXI)instruments.While earlier modeling works have already simulated soft X-ray images as might be obtained by SMILE SXI during its mission,the numerical models used so far are all based on the magnetohydrodynamics description of the space plasma.To investigate the possible signatures of ion-kinetic-scale processes in soft Xray images,we use for the first time a global hybrid-Vlasov simulation of the geospace from the Vlasiator model.The simulation is driven by fast and tenuous solar wind conditions and purely southward interplanetary magnetic field.We first produce global X-ray images of the dayside near-Earth space by placing a virtual imaging satellite at two different locations,providing meridional and equatorial views.We then analyze regional features present in the images and show that they correspond to signatures in soft X-ray emissions of mirrormode wave structures in the magnetosheath and flux transfer events(FTEs)at the magnetopause.Our results suggest that,although the time scales associated with the motion of those transient phenomena will likely be significantly smaller than the integration time of the SMILE and LEXI imagers,mirror-mode structures and FTEs can cumulatively produce detectable signatures in the soft X-ray images.For instance,a local increase by 30%in the proton density at the dayside magnetopause resulting from the transit of multiple FTEs leads to a 12%enhancement in the line-of-sight-and time-integrated soft X-ray emissivity originating from this region.Likewise,a proton density increase by 14%in the magnetosheath associated with mirror-mode structures can result in an enhancement in the soft X-ray signal by 4%.These are likely conservative estimates,given that the solar wind conditions used in the Vlasiator run can be expected to generate weaker soft X-ray emissions than the more common denser solar wind.These results will contribute to the preparatory work for the SMILE and LEXI missions by providing the community with quantitative estimates of the effects of small-scale,transient phenomena occurring on the dayside.
文摘Vehicle-to-Everything(V2X) communications will be an essential part of the technology in future autonomous drive decision systems.A fundamental procedure is to establish a robust communication channel between end-to-end devices.Due to the antenna placed at different positions on vehicles,the existing cellular electro-magnetic(EM) wave propagation modelling does not fit properly for V2X direct communication application.In order to figure out a feasible understanding of this problem,this paper focuses on the propagation channel analysis in a rural Vehicle-to-Vehicle(V2V) scenario for vehicular communication with antenna position experiments at different heights.By adopting the ray-tracing algorithm,a rural scenario simulation model is built up via the use of a commercial-off-the-shelf(COTS) EM modelling software package,that computes the path loss received power and delay spread for a given propagation channel.Next,a real-world vehicle measurement campaign was performed to verify the simulation results.The simulated and measured receiver power was in good agreement with each other,and the results of this study considered two antenna types located at three different relative heights between the two vehicles.This research provides constructive guidance for the V2V antenna characteristics,antenna placement and vehicle communication channel analysis.
文摘The maintenance of safety and dependability in rail and road embankments is of utmost importance in order to facilitate the smooth operation of transportation networks.This study introduces a comprehensive methodology for soil slope stability evaluation,employing Monte Carlo Simulation(MCS)and Subset Simulation(SS)with the"UPSS 3.0 Add-in"in MS-Excel.Focused on an 11.693-meter embankment with a soil slope(inclination ratio of 2H:1V),the investigation considers earthquake coefficients(kh)and pore water pressure ratios(ru)following Indian zoning requirements.The chance of slope failure showed a considerable increase as the Coefficient of Variation(COV),seismic coefficients(kh),and pore water pressure ratios(ru)experienced an escalation.The SS approach showed exceptional efficacy in calculating odds of failure that are notably low.Within computational modeling,the study optimized the worst-case scenario using ANFIS-GA,ANFIS-GWO,ANFIS-PSO,and ANFIS-BBO models.The ANFIS-PSO model exhibits exceptional accuracy(training R2=0.9011,RMSE=0.0549;testing R2=0.8968,RMSE=0.0615),emerging as the most promising.This study highlights the significance of conducting thorough risk assessments and offers practical insights into evaluating and improving the stability of soil slopes in transportation infrastructure.These findings contribute to the enhancement of safety and reliability in real-world situations.
基金supported by NSFC(62273019,52072015,12332019,U20A20390)the 111 Project(B13003)。
文摘Dear Editor,This letter presents a biocompatible cross-shaped magnetic soft robot and investigates its deformation mode control strategy through COMSOL modeling and simulation.Magnetic soft robots offer novel avenues for precise treatment within intricate regions of the human body.
基金supported by the National Magnetic Confinement Fusion Energy Program of China (No.2018 YFE0311300)the High-End Talents Program of Hebei Province, Innovative Approaches Towards Development of Carbon-Free Clean Fusion Energy (No.2021HBQZYCSB 006)the Compact Fusion Project of the ENN Group。
文摘This study investigates the single-pass absorption(SPA) of ion cyclotron range of frequency(ICRF) heating in hydrogen plasma of the EXL-50U spherical tokamak,which is an upgraded EXL-50 device with a central solenoid and a stronger magnetic field.The reliability of the kinetic dispersion equation is confirmed by the one-dimensional full-wave code,and the applicability of Porkolab's simplified theoretical SPA model is discussed based on the kinetic dispersion equation.Simulations are conducted to investigate the heating effects of the fundamental and second harmonic frequencies.The results indicate that with the design parameters of the EXL-50U device,the SPA for second harmonic heating is 63%,while the SPA for fundamental heating is 13%.Additionally,the optimal injection frequencies are 23 MHz at 0.9 T and 31 MHz at 1.2 T.The wave vector of the antenna parallel to the magnetic field,with a value of k_‖=7.5 m^(-1),falls within the optimal heating region.Simulations reveal that the ICRF heating system can play an important role in the ion heating of the EXL-50U.
基金the National Key R&D Program of China(Grant NO.2022YFF1300904)the National Natural Science Foundation of China(Grant NO.42001106,42371075,42271119)+2 种基金the Joint Fund of National Natural Science Foundation of China(Grant NO.U19A2042,U19A2023,U20A2083)the Natural Science Foundation of Jilin Province,China(YDZJ202201ZYTS483)Youth Innovation Promotion Association,Chinese Academy of Sciences(2023238)。
文摘Alpine treeline ecotones are highly sensitive to climate warming.The low temperature-determined alpine treeline is expected to shift upwards in response to global warming.However,little is known about how temperature interacts with other important factors to influence the distribution range of tree species within and beyond the alpine treeline ecotone.Hence,we used a GF-2 satellite image,along with bioclimatic and topographic variables,to develop an ensemble suitable habitat model based on the species distribution modeling algorithms in Biomod2.We investigated the distribution of suitable habitats for B.ermanii under three climate change scenarios(i.e.,low(SSP126),moderate(SSP370)and extreme(SSP585)future emission trajectories)between two consecutive time periods(i.e.,current-2055,and 2055-2085).By 2055,the potential distribution range of B.ermanii will expand under all three climate scenarios.The medium and high suitable areas will decline under SSP370 and SSP585scenarios from 2055 to 2085.Moreover,under the three climate scenarios,the uppermost altitudes of low suitable habitat will rise to 2,329 m a.s.l.,while the altitudes of medium and high suitable habitats will fall to 2,201 and2,051 m a.s.l.by 2085,respectively.Warming promotes the expansion of B.ermanii distribution range in Changbai Mountain,and this expansion will be modified by precipitation as climate warming continues.This interaction between temperature and precipitation plays a significant role in shaping the potential distribution range of B.ermanii in the alpine treeline ecotone.This study reveals the link between environmental factors,habitat distribution,and species distribution in the alpine treeline ecotone,providing valuable insights into the impacts of climate change on high-elevation vegetation,and contributing to mountain biodiversity conservation and sustainable development.
基金supported by the National Natural Science Foun-dation of China(No.62027801)。
文摘Traditional single-satellite passive localization algorithms are influenced by frequency and angle measurement accuracies,resulting in error estimation of emitter position on the order of kilometers.Subsequently,a single-satellite localization algorithm based on passive synthetic aper-ture(PSA)was introduced,enabling high-precision positioning.However,its estimation of azimuth and range distance is considerably affected by the residual frequency offset(RFO)of uncoopera-tive system transceivers.Furthermore,it requires data containing a satellite flying over the radia-tion source for RFO search.After estimating the RFO,an accurate estimation of azimuth and range distance can be carried out,which is difficult to achieve in practical situations.An LFM radar source passive localization algorithm based on range migration is proposed to address the dif-ficulty in estimating frequency offset.The algorithm first provides a rough estimate of the pulse repetition time(PRT).It processes intercepted signals through range compression,range interpola-tion,and polynomial fitting to obtain range migration observations.Subsequently,it uses the changing information of range migration and an accurate PRT to formulate a system of nonlinear equations,obtaining the emitter position and a more accurate PRT through a two-step localization algorithm.Frequency offset only induces a fixed offset in range migration,which does not affect the changing information.This algorithm can also achieve high-precision localization in squint scenar-ios.Finally,the effectiveness of this algorithm is verified through simulations.
基金supported by the National Natural Science Foundation of China (Grant Nos. 92158204, 41506001 and 42076019)a Project supported by the Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (Grant No. 311021005)。
文摘The variations of the frontogenetic trend of a cold filament induced by the cross-filament wind and wave fields are studied by a non-hydrostatic large eddy simulation. Five cases with different strengths of wind and wave fields are studied.The results show that the intense wind and wave fields further break the symmetries of submesoscale flow fields and suppress the levels of filament frontogenesis. The changes of secondary circulation directions—that is, the conversion between the convergence and divergence of the surface cross-filament currents with the downwelling and upwelling jets in the filament center—are associated with the inertial oscillation. The filament frontogenesis and frontolysis caused by the changes of secondary circulation directions may periodically sharpen and smooth the gradient of submesoscale flow fields.The lifecycle of the cold filament may include multiple stages of filament frontogenesis and frontolysis.
文摘Objective: To explore the effectiveness of applying patient simulators combined with Internet Plus scenario simulation teaching models on intravenous (IV) infusion nursing education, and to provide scientific evidence for the implementation of advanced teaching models in future nursing education. Methods: Enrolled 60 nurses who took the IV infusion therapy training program in our hospital from January 2022 to December 2023 for research. 30 nurses who were trained in traditional teaching models from January to December 2022 were selected as the control group, and 30 nurses who were trained with simulation-based teaching models with methods including simulated patients, internet, online meetings which can be replayed and scenario simulation, etc. from January to December 2023 were selected as the experimental group. Evaluated the learning outcomes based on the Competency Inventory for Nursing Students (CINS), Problem-Solving Inventory (PSI), comprehensive learning ability, scientific research ability, and proficiency in the theoretical knowledge and practical skills of IV infusion therapy. Nursing quality, the incidence of IV infusion therapy complications and nurse satisfaction with different teaching models were also measured. Results: The scientific research ability, PSI scores, CINS scores, and comprehensive learning ability of the experimental group were better than those of the control group (P 0.05), and their assessment results of practical skills, nursing quality of IV infusion therapy during training, and satisfaction with teaching models were all better than those of the control group with statistical significance (P < 0.05). The incidence of IV infusion therapy complications in the experimental group was lower than that in the control group, indicating statistical significance (P < 0.05). Conclusions: Teaching models based on patient simulators combined with Internet Plus scenario simulation enable nursing students to learn more directly and practice at any time and in any place, and can improve their proficiency in IV infusion theoretical knowledge and skills (e.g. PICC catheterization), core competencies, problem-solving ability, comprehensive learning ability, scientific research ability and the ability to deal with complicated cases. Also, it helps provide high-quality nursing education, improve the nursing quality of IV therapy, reduce the incidence of related complications, and ensure the safety of patients with IV therapy.
基金the financial support through Beijing Natural Science Foundation(Grant No.3212010)National Natural Science Foundation of China(Grant No.51875031).
文摘The rotor is the most important component of rotating machinery,and the vibration produced by its mass unbalance has a serious influence on the secure and steady operation of the machine,so an effective online suppression technology is urgently needed.A new hydraulic unbalanced bionic self-recovery system is introduced,imitating the way of manually repairing faulty equipment.To accomplish the effect of actuator mass redistribution,the technology employs pressurized air to drive the quantitative transfer of liquid in the reservoir cavity at opposite positions.It can complete the online adjustment of the equipment's balancing state and suppress the unbalanced vibration of equipment in real time,which gives the equipment the ability to maintain an autonomous health state and improve equipment performance.The composition and working principle of the system are introduced in detail,and the key performance parameters,such as the minimum running speed and the balancing liquid transfer speed,are analyzed theoretically.The fluid-solid coupling model of the actuator was established,and the two-phase flow from inside the hydraulic unbalanced bionic self-recovery actuator was simulated under multiple working conditions and the performance parameters were quantitatively analyzed.A balancing simulation test bed was built,and its effectiveness was verified by performance parameter tests and unbalanced bionic self-recovery experiments.The experimental results show that the mass distribution adjustment of the balancing disk can be achieved using different viscosity balancing liquid,and the response of liquid viscosity 10 cSt is faster than that of liquid viscosity 100 cSt in the process of balancing liquid transfer,and the time is reduced by more than 75%;the system can reduce the simulated rotor amplitude from 18.3μm to 10.6μm online in real time,which provides technical support for the subsequent development of a new generation of bionic intelligent equipment.
基金This work was supported by the National Natural Science Foundation of China(No.11575080)the National Natural Science Foundation of Hunan Province,China(No.2022JJ30482)the Hunan Provincial Innovation Foundation for Postgraduates(No.QL20220206).
文摘Accurate measurements of the radon exhalation rate help identify and evaluate radon risk regions in the environment.Among these measurement methods,the closed-loop method is frequently used.However,traditional experiments are insufficient or cannot analyze the radon migration and exhalation patterns at the gas–solid interface in the accumulation chamber.The CFD-based technique was applied to predict the radon concentration distribution in a limited space,allowing radon accumulation and exhalation inside the chamber intuitively and visually.In this study,three radon exhalation rates were defined,and two structural ventilation tubes were designed for the chamber.The consistency of the simulated results with the variation in the radon exhalation rate in a previous experiment or analytical solution was verified.The effects of the vent tube structure and flow rate on the radon uniformity in the chamber;permeability,insertion depth,and flow rate on the radon exhalation rate and the effective diffusion coefficient on back-diffusion were investigated.Based on the results,increasing the inser-tion depth from 1 to 5 cm decreased the effective decay constant by 19.55%,whereas the curve-fitted radon exhalation rate decreased(lower than the initial value)as the deviation from the initial value increased by approximately 7%.Increasing the effective diffusion coefficient from 2.77×10^(-7) to 7.77×10^(-6) m^(2) s^(-1) made the deviation expand from 2.14 to 15.96%.The conclusion is that an increased insertion depth helps reduce leakage in the chamber,subject to notable back-diffusion,and that the closed-loop method is reasonably used for porous media with a low effective diffusion coefficient in view of the back-diffusion effect.The CFD-based simulation is expected to provide guidance for the optimization of the radon exhalation rate measurement method and,thus,the accurate measurement of the radon exhalation rate.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.51775077 and 51909023)。
文摘Shear-thinning fluids have been widely used in microfluidic systems,but their internal flow mechanism is still unclear.Therefore,in this paper,molecular dynamics simulations are used to study the laminar flow of shear-thinning fluid in a microchannel.We validated the feasibility of our simulation method by evaluating the mean square displacement and Reynolds number of the solution layers.The results show that the change rule of the fluid system's velocity profile and interaction energy can reflect the shear-thinning characteristics of the fluids.The velocity profile resembles a top-hat shape,intensifying as the fluid's power law index decreases.The interaction energy between the wall and the fluid decreases gradually with increasing velocity,and a high concentration of non-Newtonian fluid reaches a plateau sooner.Moreover,the velocity profile of the fluid is related to the molecule number density distribution and their values are inversely proportional.By analyzing the radial distribution function,we found that the hydrogen bonds between solute and water molecules weaken with the increase in velocity.This observation offers an explanation for the shear-thinning phenomenon of the non-Newtonian flow from a micro perspective.
基金financial support from National Natural Science Foundation of China(Grant No.12172325)。
文摘Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics simulations.Firstly,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental data.The pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock wave.The microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete compaction.Finally,it leads to stress relaxation and velocity homogenization.The shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of density.Besides,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the system.The energy is dissipated mainly through the multiple interactions of the waves under shock.The energy is dissipated mainly by the friction between atoms under non-shock.
基金financially supported by the National Key R&D Projects(No.2021YFB3702000)the Regional Company Projects in Ansteel Beijing Research Institute(No.2022BJB07GF&No.2022BJB-13GF)。
文摘Electromagnetic stirring is one of the widely applied techniques to modify the quality of casting billets.Different from conventional rotate stirring,the helical stirring is more professional in assisting multi-dimensional flow of molten metal and eliminating solidification defects.In this study,the single-winding helical stirring(SWHS)was introduced,offering advantages such as smaller volume and lower electromagnetic shielding compared to traditional helical stirring methods.Following a comprehensive numerical simulation,the stirring parameters of SWHS were adjusted to yoke inclination angle of 43°and frequency of 12 Hz.The higher electromagnetic force and flow velocity in drawing direction,as well as the lower temperature gradient induced by the SWHS,are positive factors for homogeneous solidification of billet.The experimental results on Al-8%Si alloy and 0.4%C-1.1%Mn steel demonstrate that compared to rotate stirring,the SWHS process can induce better billet quality and is more effective in accelerating the equiaxed expansion and reducing element segregation.The SWHS process can enhance the equiaxed ratio of the billet by 58.3%and reduce segregation degree of carbon element by 10.97%.Consequently,SWHS holds great promise as a potential approach for improving the quality of continuous casting billets.
基金supported by the National Natural Science Foundation of China (Grant No.11572090)。
文摘Temperature effect on atomic deformation of nanotwinned Ni (nt-Ni) under localized nanoindentation is investigated in comparison with nanocrystalline Ni (nc-Ni) through molecular simulation.The nt-Ni exhibits enhanced critical load and hardness compared to nc-Ni,where perfect,stair-rod and Shockley dislocations are activated at (111),(111) and (111) slip planes in nt-Ni compared to only SSockley dislocation nucleation at (111) and (111) slip planes of nc-Ni.The nt-Ni exhibits a less significant indentation size effect in comparison with nc-Ni due to the dislocation slips hindrance of the twin boundary.The atomic deformation associated with the indentation size effect is investigated during dislocation transmission.Different from the decreasing partial slips parallel to the indenter surface in nc-Ni with increasing temperature,the temperaturedependent atomic deformation of nt-Ni is closely related to the twin boundary:from the partial slips parallel to the twin boundary (~10 K),to increased confined layer slips and decreased twin migration(300 K–600 K),to decreased confined layer slips and increased dislocation interaction of dislocation pinning and dissociation (900 K–1200 K).Dislocation density and atomic structure types through quantitative analysis are implemented to further reveal the above-mentioned dislocation motion and atomic structure alteration.Our study is helpful for understanding the temperature-dependent plasticity of twin boundary in nanotwinned materials.
基金Project supported by the National Key Research and Development Program of China(Grant No.2023YFF1204402)the National Natural Science Foundation of China(Grant Nos.12074079 and 12374208)+1 种基金the Natural Science Foundation of Shanghai(Grant No.22ZR1406800)the China Postdoctoral Science Foundation(Grant No.2022M720815).
文摘The rapid advancement and broad application of machine learning(ML)have driven a groundbreaking revolution in computational biology.One of the most cutting-edge and important applications of ML is its integration with molecular simulations to improve the sampling efficiency of the vast conformational space of large biomolecules.This review focuses on recent studies that utilize ML-based techniques in the exploration of protein conformational landscape.We first highlight the recent development of ML-aided enhanced sampling methods,including heuristic algorithms and neural networks that are designed to refine the selection of reaction coordinates for the construction of bias potential,or facilitate the exploration of the unsampled region of the energy landscape.Further,we review the development of autoencoder based methods that combine molecular simulations and deep learning to expand the search for protein conformations.Lastly,we discuss the cutting-edge methodologies for the one-shot generation of protein conformations with precise Boltzmann weights.Collectively,this review demonstrates the promising potential of machine learning in revolutionizing our insight into the complex conformational ensembles of proteins.
基金supported in part by the National Natural Foundation of China(No.62027801).
文摘Recently,researchers have proposed an emitter localization method based on passive synthetic aperture.However,the unknown residual frequency offset(RFO)between the transmit-ter and the receiver causes the received Doppler signal to shift,which affects the localization accu-racy.To solve this issue,this paper proposes a RFO estimation method based on range migration fitting.Due to the high frequency modulation slope of the linear frequency modulation(LFM)-mod-ulation radar signal,it is not affected by RFO in range compression.Therefore,the azimuth time can be estimated by fitting the peak value position of the pulse compression in range direction.Then,the matched filters are designed under different RFOs.When the zero-Doppler time obtained by the matched filters is consistent with the estimated azimuth time,the given RFO is the real RFO between the transceivers.The simulation results show that the estimation error of azimuth distance does not exceed 20 m when the received signal duration is not less than 3 s,the pulse repe-tition frequency(PRF)of the transmitter radar signal is not less than 1 kHz,the range detection is not larger than 1000 km,and the signal noise ratio(SNR)is not less than-5 dB.
