Energy budget of cold and hot gas-solid fluidized beds through CFD-DEM simulations

Direct energy budget is carried out for both cold and hot flow in gas–solid fluidization systems.First,the energy paths are proposed from thermodynamic viewpoints.Energy consumption means total power input to the specific system,and it can be decomposed into energy retention and energy dissipation.Energy retention is the variation of accumulated mechanical energy in the system,and energy dissipation is the energy converted to heat by irreversible processes.Then based on the Computational Fluid Dynamics-Discrete Element Method(CFD-DEM)framework,different energy terms are quantified from the specific flow elements of fluid cells and particles as well as their interactions with the wall.In order to clarify the energy budget,it is important to identify which system is studied:the particle-fluid system or the particle sub-system.For the cold flow,the total energy consumption of the particle sub-system can well indicate the onset of bubbling and turbulent,while the variation of local energy consumption terms can reflect the evolution of heterogeneous structures.For the hot flow,different heat transfer mechanisms are analyzed and the solver is modified to reproduce the experimental results.The impact of the heat transfer mechanisms and heat production on energy consumption is also investigated.The proposed budget method has proven to be energy-conservative and easy to conduct,and it is hopeful to be applied to other multiphase flow systems.

Global hybrid simulations of soft X-ray emissions in the Earth’s magnetosheath

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.

Magnetopause properties at the dusk magnetospheric flank from global magnetohydrodynamic simulations,the kinetic Vlasov equilibrium,and in situ observations--Potential implications for SMILE

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.

Relative Impacts of Sea Ice Loss and Atmospheric Internal Variability on the Winter Arctic to East Asian Surface Air Temperature Based on Large-Ensemble Simulations with NorESM2

To quantify the relative contributions of Arctic sea ice and unforced atmospheric internal variability to the “warm Arctic, cold East Asia”(WACE) teleconnection, this study analyses three sets of large-ensemble simulations carried out by the Norwegian Earth System Model with a coupled atmosphere–land surface model, forced by seasonal sea ice conditions from preindustrial, present-day, and future periods. Each ensemble member within the same set uses the same forcing but with small perturbations to the atmospheric initial state. Hence, the difference between the present-day(or future) ensemble mean and the preindustrial ensemble mean provides the ice-loss-induced response, while the difference of the individual members within the present-day(or future) set is the effect of atmospheric internal variability. Results indicate that both present-day and future sea ice loss can force a negative phase of the Arctic Oscillation with a WACE pattern in winter. The magnitude of ice-induced Arctic warming is over four(ten) times larger than the ice-induced East Asian cooling in the present-day(future) experiment;the latter having a magnitude that is about 30% of the observed cooling. Sea ice loss contributes about 60%(80%) to the Arctic winter warming in the present-day(future) experiment. Atmospheric internal variability can also induce a WACE pattern with comparable magnitudes between the Arctic and East Asia. Ice-lossinduced East Asian cooling can easily be masked by atmospheric internal variability effects because random atmospheric internal variability may induce a larger magnitude warming. The observed WACE pattern occurs as a result of both Arctic sea ice loss and atmospheric internal variability, with the former dominating Arctic warming and the latter dominating East Asian cooling.

Influence of cycle time distribution on coating uniformity of particles in a spray fluidized bed by using CFD-DEM simulations

Cycle Time Distribution(CTD)plays a critical role for determining uniformity of particle coating in spray fluidized beds.However,the CTD is influenced by both geometrical structure and operating conditions of fluidized bed.In this study,a spray fluidized bed of coating process is simulated by a comprehensive Computational Fluid Dynamics-Discrete Element Model(CFD-DEM).To achieve different behaviors of CTD,some modifications are designed on a pseudo-2D internally circulating fluidized bed,which traditionally composes of a high-velocity upward bed and low-velocity downward bed.These modifi-cations include making the air distributor slope and/or laying a baffle in the downward bed.First,the CTD and evolution of particle size distribution under different bed structures are compared.The CTD directly influences the coating uniformity.By making the particles flowing along a parallel direction in the downward bed through the geometrical modifications,the CTD becomes narrower and the coating uniformity is significantly improved.Second,under the optimized bed structure,the influence of oper-ating conditions on the coating uniformity is studied.Properly increasing the fluidization gas velocity and the fluidization gas temperature and reducing the liquid spray rate can improve the coating uniformity.

Fracture sealing performance of granular lost circulation materials at elevated temperature:A theoretical and coupled CFD-DEM simulation study

Lost circulation is a common downhole problem of drilling in geothermal and high-temperature,high-pressure(HTHP)formations.Lost circulation material(LCM)is a regular preventive and remedial measure for lost circulation.However,conventional LCMs seem ineffective in high-temperature formations.This may be due to the changes in the mechanical properties of LCMs and their sealing performance under high-temperature conditions.To understand how high temperature affects the fracture sealing performance of LCMs,we developed a coupled computational fluid dynamics-discrete element method(CFD-DEM)model to simulate the behavior of granular LCMs in fractures.We summarized the literature on the effects of high temperature on the mechanical properties of LCMs and the rheological properties of drilling fluid.We conducted sensitivity analyses to investigate how changing LCM slurry properties affected the fracture sealing efficiency at increasing temperatures.The results show that high temperature reduces the size,strength,and friction coefficient of LCMs as well as the drilling fluid viscosity.Smaller,softer,and less frictional LCM particles have lower bridging probability and slower bridging initiation.Smaller particles tend to form dual-particle bridges rather than single-particle bridges.These result in a deeper,tighter,but unstable sealing zone.Reduced drilling fluid viscosity leads to faster and shallower sealing zones.

MicroMagnetic.jl:A Julia package for micromagnetic and atomistic simulations with GPU support

MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations.Using the features of the Julia programming language,MicroMagnetic.jl supports CPU and various GPU platforms,including NVIDIA,AMD,Intel,and Apple GPUs.Moreover,MicroMagnetic.jl supports Monte Carlo simulations for atomistic models and implements the nudged-elastic-band method for energy barrier computations.With built-in support for double and single precision modes and a design allowing easy extensibility to add new features,MicroMagnetic.jl provides a versatile toolset for researchers in micromagnetics and atomistic simulations.

Machine learning-enhanced Monte Carlo and subset simulations for advanced risk assessment in transportation infrastructure

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.

Mathematical modeling and simulations of stress mitigation by coating polycrystalline particles in lithium-ion batteries

A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyCo_(z)O_(2)(x≥0.8)(NMC)particles with poly(3,4-ethylenedioxythiophene)(PEDOT).The simulation results show that the coating of primary NMC particles significantly reduces the stress generation by efficiently accommodating the volume change associated with the lithium diffusion,and the coating layer plays roles both as a cushion against the volume change and a channel for the lithium transport,promoting the lithium distribution across the secondary particles more homogeneously.Besides,the lower stiffness,higher ionic conductivity,and larger thickness of the coating layer improve the stress mitigation.This paper provides a mathematical framework for calculating the chemo-mechanical responses of anisotropic electrode materials and fundamental insights into how the coating of NMC active particles mitigates stress levels.

Numerical simulations for radon migration and exhalation behavior during measuring radon exhalation rate with closed-loop method

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.

Propagation Properties of Shock Waves in Polyurethane Foam based on Atomistic Simulations

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.

Comparison of DES and URANS:Estimation of fluctuating pressure from URANS simulations in stilling basins

This study conducts a comparative analysis between detached eddy simulation(DES)and Unsteady Reynolds-averaged Navier-Stokes(URANS)models for simulating pressure fluctuations in a stilling basin,aiming to assess the URANS mode’s performance in modeling pressure fluctuation.The URANS model predicts accurately a smoother flow field and its time-average pressure,yet it underestimates the root mean square of pressure(RMSP)fluctuation,achieving approximately 70%of the results predicted by DES model on the bottom floor of the stilling basin.Compared with DES model’s results,which are in alignment with the Kolmogorov−5/3 law,the URANS model significantly overestimates low-frequency pulsations,particularly those below 0.1 Hz.We further propose a novel method for estimating the RMSP in the stilling basin using URANS model results,based on the establishment of a quantitative relationship between the RMSP,time-averaged pressure,and turbulent kinetic energy in the boundary layer.The proposed method closely aligns with DES results,showing a mere 15%error level.These findings offer vital insights for selecting appropriate turbulence models in hydraulic engineering and provide a valuable tool for engineers to estimate pressure fluctuation in stilling basins.

Numerical simulations of earthquake rupture induced by pressure perturbation

The subsurface fluid injection can cause pressure increase within faults,leading to earthquake occurrences.However,the factors controlling earthquake rupture due to pressure perturbation remain poorly understood.To resolve this problem,we simulate the physical processes of earthquake nucleation and rupture on strike-slip faults perturbated by pressure migration based on the slip-weakening law.Multiple kinds of factors,including background stress,fluid injection rates,the area of the pressurized region,fault geometry,and fault friction coefficients,are considered in our simulations.Our simulation results reveal that the ratio of shear stress to normal stress rather than their absolute values controls the rupture behavior.With the large stress ratios,high injection rates,and large pressurized areas,earthquakes are prone to propagate as runaway ruptures.Additionally,faults with large aspect ratios of length to width are also favorable for causing runaway ruptures.In contrast,the factors of fault strike,dip angles and friction coefficients have minor influence on rupture behavior.

In-situ measurement via the flow-through method and numerical simulations for radon exhalation during measurements of the radon exhalation rate

Small-scale measurements of the radon exhalation rate using the flow-through and closed-loop methods were conducted on the surface of a uranium tailing pond to better understand the differences between the two methods.An abnormal radon exhalation behavior was observed,leading to computational fluid dynamics(CFD)-based simulations in which dynamic radon migration in a porous medium and accumulation chamber was considered.Based on the in-situ experimental and numerical simulation results,variations in the radon exhalation rate subject to permeability,flow rate,and insertion depth were quantified and analyzed.The in-situ radon exhalation rates measured using the flow-through method were higher than those measured using the closed-loop method,which could be explained by the negative pressure difference between the inside and outside of the chamber during the measurements.The consistency of the variations in the radon exhalation rate between the experiments and simulations suggests the reliability of CFD-based techniques in obtaining the dynamic evolution of transient radon exhalation rates for diffusion and convection at the porous medium-air interface.The synergistic effects of the three factors(insertion depth,flow rate,and permeability)on the negative pressure difference and measured exhalation rate were quantified,and multivariate regression models were established,with positive correlations in most cases;the exhalation rate decreased with increasing insertion depth at a permeability of 1×10^(−11) m^(2).CFD-based simulations can provide theoretical guidance for improving the flow-through method and thus achieve accurate measurements.

Study of fluid cell coarsening for CFD-DEM simulations of polydisperse gas–solid flows

Particle polydispersity is ubiquitous in industrial fluidized beds,which possesses a significant impact on hydrodynamics of gas-solid flow.Computational fluid dynamics-discrete element method(CFD-DEM)is promising to adequately simulate gas-solid flows with continuous particle size distribution(PSD)while it still suffers from high computational cost.Corresponding coarsening models are thereby desired.This work extends the coarse-grid model to polydisperse systems.Well-resolved simulations with different PSDs are processed through a filtering procedure to modify the gas-particle drag force in coarse-grid simulations.We reveal that the drag correction of individual particle exhibits a dependence on filtered solid volume fraction and filtered slip velocity for both monodisperse and polydisperse systems.Subsequently,the effect of particle size and surrounding PSD is quantified by the ratio of particle size to Sauter mean diameter.Drag correction models for systems with monodisperse and continuous PSD are developed.A priori analysis demonstrates that the developed models exhibit reliable prediction accuracy.

Genetic Analysis of Structural Styles in the Makran Accretionary Wedge–Insight from Physical Simulations

The Makran accretionary wedge has the smallest subduction angle among any accretionary prism in the world. The factors controlling the spacing and morphological development of its deep thrust faults, as well as the formation mechanism of shallow normal faults, remain unclear. Meanwhile, the factors affecting the continuity of plane faults must be comprehensively discussed. Clarifying the development characteristics and deformation mechanisms of the Makran accretionary wedge is crucial to effectively guide the exploration of gas hydrate deposits in the area. This study aims to interpret seismic data to identify typical structures in the Makran accretionary wedge, including deep imbricate thrust faults, shallow and small normal faults, wedge-shaped piggyback basins, mud diapirs with fuzzy and disorderly characteristics of reflection, décollements with a northward tilt of 1° – 2°, and large seamounts. Physical simulation-based experiments are performed to comprehensively analyze the results of the plane, section, and slices of the wedge. Results reveal that the distances between and shapes of thrust faults in the deep parts of the Makran accretionary wedge are controlled by the bottom décollement. The uplift of the thrust fault-related folds and the upwelling of the mud diapirs primarily contribute to the formation of small normal faults in the shallow part of the area. The mud diapirs originate from plastic material at the bottom, while those that have developed in the area near the trench are larger. Seamounts and mud diapirs break the continuity of fault plane distribution.

Coupled CFD-DEM Numerical Simulation of the Interaction of a Flow-Transported Rag with a Solid Cylinder

A coupled Computational Fluid Dynamics-Discrete Element Method(CFD-DEM)approach is used to calculate the interaction of a flexible rag transported by a fluid current with a fixed solid cylinder.More specifically a hybrid Eulerian-Lagrangian approach is used with the rag being modeled as a set of interconnected particles.The influence of various parameters is considered,namely the inlet velocity(1.5,2.0,and 2.5 m/s,respectively),the angle formed by the initially straight rag with the flow direction(45°,60°and 90°,respectively),and the inlet position(90,100,and 110 mm,respectively).The results show that the flow rate has a significant impact on the permeability of the rag.The higher the flow rate,the higher the permeability and the rag speed difference.The angle has a minor effect on rag permeability,with 45°being the most favorable angle for permeability.The inlet position has a small impact on rag permeability,while reducing the initial distance between the rag an the cylinder makes it easier for rags to pass through.

Understanding Simulated Causes of Damaging Surface Winds in a Derecho-Producing Mesoscale Convective System near the East China Coast Based on Convection-Permitting Simulations

A mesoscale convective system(MCS) occurred over the East China coastal provinces and the East China Sea on 30April 2021, producing damaging surface winds near the coastal city Nantong with observed speeds reaching 45 m s^(–1). A simulation using the Weather Research and Forecasting model with a 1.5-km grid spacing generally reproduces the development and subsequent organization of this convective system into an MCS, with an eastward protruding bow segment over the sea. In the simulation, an east-west-oriented high wind swath is generated behind the gust front of the MCS. Descending dry rear-to-front inflows behind the bow and trailing gust front are found to feed the downdrafts in the main precipitation regions. The inflows help to establish spreading cold outflows and enhance the downdrafts through evaporative cooling. Meanwhile, front-to-rear inflows from the south are present, associated with severely rearward-tilted updrafts initially forming over the gust front. Such inflows descend behind(north of) the gust front, significantly enhancing downdrafts and near-surface winds within the cold pool. Consistently, calculated trajectories show that these parcels that contribute to the derecho originate primarily from the region ahead(south) of the east-west-oriented gust front, and dry southwesterly flows in the low-to-middle levels contribute to strong downdrafts within the MCS. Moreover, momentum budget analyses reveal that a large westward-directed horizontal pressure gradient force within the simulated cold pool produced rapid flow acceleration towards Nantong. The analyses enrich the understanding of damaging wind characteristics over coastal East China and will prove helpful to operational forecasters.

Investigation of Projectile Impact Behaviors of Graphene Aerogel Using Molecular Dynamics Simulations

Graphene aerogel(GA),as a novel solid material,has shown great potential in engineering applications due to its unique mechanical properties.In this study,the mechanical performance of GA under high-velocity projectile impacts is thoroughly investigated using full-atomic molecular dynamics(MD)simulations.The study results show that the porous structure and density are key factors determining the mechanical response of GA under impact loading.Specifically,the impact-induced penetration of the projectile leads to the collapse of the pore structure,causing stretching and subsequent rupture of covalent bonds in graphene sheets.Moreover,the effects of temperature on the mechanical performance of GA have been proven to be minimal,thereby highlighting the mechanical stability of GA over a wide range of temperatures.Finally,the energy absorption density(EAD)and energy absorption efficiency(EAE)metrics are adopted to assess the energy absorption capacity of GA during projectile penetration.The research findings of this work demonstrate the significant potential of GA for energy absorption applications.

Gyro-Landau-fluid simulations of impurity effects on ion temperature gradient driven turbulence transport

The effects of impurities on ion temperature gradient(ITG)driven turbulence transport in tokamak core plasmas are investigated numerically via global simulations of microturbulence with carbon impurities and adiabatic electrons.The simulations use an extended fluid code(ExFC)based on a four-field gyro-Landau-fluid(GLF)model.The multispecies form of the normalized GLF equations is presented,which guarantees the self-consistent evolution of both bulk ions and impurities.With parametric profiles of the cyclone base case,well-benchmarked ExFC is employed to perform simulations focusing on different impurity density profiles.For a fixed temperature profile,it is found that the turbulent heat diffusivity of bulk ions in a quasi-steady state is usually lower than that without impurities,which is contrary to the linear and quasilinear predictions.The evolutions of the temperature gradient and heat diffusivity exhibit a fast relaxation process,indicating that the destabilization of the outwardly peaked impurity profile is a transient state response.Furthermore,the impurity effects from different profiles can obviously influence the nonlinear critical temperature gradient,which is likely to be dominated by linear effects.These results suggest that the improvement in plasma confinement could be attributed to the impurities,most likely through adjusting both heat diffusivity and the critical temperature gradient.