OpenIFEM:A High Performance Modular Open-Source Software of the Immersed Finite Element Method for Fluid-Structure Interactions

We present a high performance modularly-built open-source software-OpenIFEM.OpenIFEM is a C++implementation of the modified immersed finite element method(mIFEM)to solve fluid-structure interaction(FSI)problems.This software is modularly built to perform multiple tasks including fluid dynamics(incompressible and slightly compressible fluid models),linear and nonlinear solid mechanics,and fully coupled fluid-structure interactions.Most of open-source software packages are restricted to certain discretization methods;some are under-tested,under-documented,and lack modularity as well as extensibility.OpenIFEM is designed and built to include a set of generic classes for users to adapt so that any fluid and solid solvers can be coupled through the FSI algorithm.In addition,the package utilizes well-developed and tested libraries.It also comes with standard test cases that serve as software and algorithm validation.The software can be built on cross-platform,i.e.,Linux,Windows,and Mac OS,using CMake.Efficient parallelization is also implemented for high-performance computing for large-sized problems.OpenIFEM is documented using Doxygen and publicly available to download on GitHub.It is expected to benefit the future development of FSI algorithms and be applied to a variety of FSI applications.

Parallelization strategies for resolved simulations of fluid-structure-particle interactions

Fluid-structure-particle interactions in three spatial dimensions happen in many environmental and engineering flows.This paper presents the parallel algorithms for the hybrid diffuse and sharp interface immersed boundary(IB)method developed in our previous work.For the moving structure modeled using the sharp interface IB method,a recursive box method is developed for efficiently classifying the background grid nodes.For the particles modeled using the diffuse interface IB method,a‘master-slave’approach is adopted.For the particle-particle interaction(PPI)and particle-structure interaction(PSI),a fast algorithm for classifying the active and inactive Lagrangian points,which discretize the particle surface,is developed for the‘dry’contact approach.The results show that the proposed recursive box method can reduce the classifying time from 52seconds to 0.3 seconds.Acceptable parallel efficiency is obtained for cases with different particle concentrations.Furthermore,the lubrication model is utilized when a particle approaches a wall,enabling an accurate simulation of the rebounding phenomena in the benchmark particle-wall collision problem.At last,the capability of the proposed computational framework is demonstrated by simulating particle-laden turbulent channel flows with rough walls.

Blade Wrap Angle Impact on Centrifugal Pump Performance:Entropy Generation and Fluid-Structure Interaction Analysis

The centrifugal pump is a prevalent power equipment widely used in different engineering patterns,and the impeller blade wrap angle significantly impacts its performance.A numerical investigation was conducted to analyze the influence of the blade wrap angle on flow characteristics and energy distribution of a centrifugal pump evaluated as a low specific speed with a value of 69.This study investigates six impellermodels that possess varying blade wrap angles(95°,105°,115°,125°,135°,and 145°)that were created while maintaining the same volute and other geometrical characteristics.The investigation of energy loss was conducted to evaluate the values of total and entropy generation rates(TEG,EGR).The fluid-structure interaction was considered numerically using the software tools ANSYS Fluent and ANSYSWorkbench.The elastic structural dynamic equation was used to estimate the structural response,while the shear stress transport k–ωturbulence model was utilized for the fluid domain modeling.The findings suggest that the blade wrap angle has a significant influence on the efficiency of the pump.The impeller featuring a blade wrap angle of 145°exhibits higher efficiency,with a notable increase of 3.76%relative to the original model.Variations in the blade wrap angle impact the energy loss,shaft power,and pump head.The model with a 145°angle exhibited a maximum equivalent stress of 14.8MPa and a total deformation of 0.084 mm.The results provide valuable insights into the intricate flow mechanism of the centrifugal pump,particularly when considering various blade wrap angles.

An Updated Lagrangian Particle Hydrodynamics (ULPH)-NOSBPD Coupling Approach forModeling Fluid-Structure Interaction Problem

A fluid-structure interaction approach is proposed in this paper based onNon-Ordinary State-Based Peridynamics(NOSB-PD)and Updated Lagrangian Particle Hydrodynamics(ULPH)to simulate the fluid-structure interaction problem with large geometric deformation and material failure and solve the fluid-structure interaction problem of Newtonian fluid.In the coupled framework,the NOSB-PD theory describes the deformation and fracture of the solid material structure.ULPH is applied to describe the flow of Newtonian fluids due to its advantages in computational accuracy.The framework utilizes the advantages of NOSB-PD theory for solving discontinuous problems and ULPH theory for solving fluid problems,with good computational stability and robustness.A fluidstructure coupling algorithm using pressure as the transmission medium is established to deal with the fluidstructure interface.The dynamic model of solid structure and the PD-ULPH fluid-structure interaction model involving large deformation are verified by numerical simulations.The results agree with the analytical solution,the available experimental data,and other numerical results.Thus,the accuracy and effectiveness of the proposed method in solving the fluid-structure interaction problem are demonstrated.The fluid-structure interactionmodel based on ULPH and NOSB-PD established in this paper provides a new idea for the numerical solution of fluidstructure interaction and a promising approach for engineering design and experimental prediction.

An extended multiple-support response spectrum method incorporating fluid-structure interaction for seismic analysis of deep-water bridges

The effects of ground motion spatial variability(GMSV)or fluid-structure interaction(FSI)on the seismic responses of deep-water bridges have been extensively examined.However,there are few studies on the seismic performance of bridges considering GMSV and FSI effects simultaneously.In this study,the original multiple-support response spectrum(MSRS)method is extended to consider FSI effect for seismic analysis of deep-water bridges.The solution of hydrodynamic pressure on a pier is obtained using the radiation wave theory,and the FSI-MSRS formulation is derived according to the random vibration theory.The influence of FSI effect on the related coefficients is analyzed.A five-span steel-concrete continuous beam bridge is adopted to conduct the numerical simulations.Different load conditions are designed to investigate the variation of the bridge responses when considering the GMSV and FSI effects.The results indicate that the incoherence effect and wave passage effect decrease the bridge responses with a maximum percentage of 86%,while the FSI effect increases the responses with a maximum percentage of 26%.The GMSV and FSI effects should be included in the seismic design of deep-water bridges.

Ecological network analysis reveals complex responses of tree species life stage interactions to stand variables

Tree interactions are essential for the structure,dynamics,and function of forest ecosystems,but variations in the architecture of life-stage interaction networks(LSINs)across forests is unclear.Here,we constructed 16 LSINs in the mountainous forests of northwest Hebei,China based on crown overlap from four mixed forests with two dominant tree species.Our results show that LSINs decrease the complexity of stand densities and basal areas due to the interaction cluster differentiation.In addition,we found that mature trees and saplings play different roles,the first acting as“hub”life stages with high connectivity and the second,as“bridges”controlling information flow with high centrality.Across the forests,life stages with higher importance showed better parameter stability within LSINs.These results reveal that the structure of tree interactions among life stages is highly related to stand variables.Our efforts contribute to the understanding of LSIN complexity and provide a basis for further research on tree interactions in complex forest communities.

Simulation of Underground Reservoir Stability of Pumped Storage Power Station Based on Fluid-Structure Coupling

Based on global initiatives such as the clean energy transition and the development of renewable energy,the pumped storage power station has become a new and significant way of energy storage and regulation,and its construction environment is more complex than that of a traditional reservoir.In particular,the stability of the rock strata in the underground reservoirs is affected by the seepage pressure and rock stress,which presents some challenges in achieving engineering safety and stability.Using the advantages of the numerical simulation method in dealing deal with nonlinear problems in engineering stability,in this study,the stability of the underground reservoir of the Shidangshan(SDS)pumped storage power station was numerically calculated and quantitatively analyzed based on fluid-structure coupling theory,providing an important reference for the safe operation and management of the underground reservoir.First,using the COMSOL software,a suitablemechanicalmodel was created in accordance with the geological structure and project characteristics of the underground reservoir.Next,the characteristics of the stress field,displacement field,and seepage field after excavation of the underground reservoir were simulated in light of the seepage effect of groundwater on the nearby rock of the underground reservoir.Finally,based on the construction specifications and Molar-Coulomb criterion,a thorough evaluation of the stability of the underground reservoir was performed through simulation of the filling and discharge conditions and anti-seepage strengthening measures.The findings demonstrate that the numerical simulation results have a certain level of reliability and are in accordance with the stress measured in the project area.The underground reservoir excavation resulted in a maximum displacement value of the rock mass around the caverns of 3.56 mm in a typical section,and the safety coefficient of the parts,as determined using the Molar-Coulomb criterion,was higher than 1,indicating that the project as a whole is in a stable state.

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

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

Strong metal-support interactions between highly dispersed Cu^(+) species and ceria via mix-MOF pyrolysis toward promoted water-gas shift reaction

The modulation of metal-support interfacial interaction is significant but challenging in the design of high-efficiency and high-stability supported catalysts.Here,we report a synthetic strategy to upgrade Cu-CeO_(2)interfacial interaction by the pyrolysis of mixed metal-organic framework(MOF)structure.The obtained highly dispersed Cu/CeO_(2)-MOF catalyst via this strategy was used to catalyze water-gas shift reaction(WGSR),which exhibited high activity of 40.5μmolCOgcat^(-1).s^(-1)at 300℃and high stability of about 120 h.Based on comprehensive studies of electronic structure,pyrolysis strategy has significant effect on enhancing metal-support interaction and then stabilizing interfacial Cu^(+)species under reaction conditions.Abundant Cu^(+)species and generated oxygen vacancies over Cu/CeO_(2)-MOF catalyst played a key role in CO molecule activation and H2O molecule dissociation,respectively.Both collaborated closely and then promoted WGSR catalytic performance in comparison with traditio nal supported catalysts.This study shall offer a robust approach to harvest highly dispersed catalysts with finely-tuned metal-support interactions for stabilizing the most interfacial active metal species in diverse heterogeneous catalytic reactions.

Light-Material Interactions Using Laser and Flash Sources for Energy Conversion and Storage Applications

This review provides a comprehensive overview of the progress in light-material interactions(LMIs),focusing on lasers and flash lights for energy conversion and storage applications.We discuss intricate LMI parameters such as light sources,interaction time,and fluence to elucidate their importance in material processing.In addition,this study covers various light-induced photothermal and photochemical processes ranging from melting,crystallization,and ablation to doping and synthesis,which are essential for developing energy materials and devices.Finally,we present extensive energy conversion and storage applications demonstrated by LMI technologies,including energy harvesters,sensors,capacitors,and batteries.Despite the several challenges associated with LMIs,such as complex mechanisms,and high-degrees of freedom,we believe that substantial contributions and potential for the commercialization of future energy systems can be achieved by advancing optical technologies through comprehensive academic research and multidisciplinary collaborations.

Analysis of the Influence of the Blade Deformation on Wind Turbine Output Power in the Framework of a Bidirectional Fluid-Structure Interaction Model

The blades of large-scale wind turbines can obviously deform during operation,and such a deformation can affect the wind turbine’s output power to a certain extent.In order to shed some light on this phenomenon,for which limited information is available in the literature,a bidirectional fluid-structure interaction(FSI)numerical model is employed in this work.In particular,a 5 MW large-scale wind turbine designed by the National Renewable Energy Laboratory(NREL)of the United States is considered as a testbed.The research results show that blades’deformation can increase the wind turbine’s output power by 135 kW at rated working conditions.Compared with the outcomes of the simulations conducted using the model with no blade deformation,the results obtained with the FSI model are closer to the experimental data.It is concluded that the bidirectional FSI model can replicate the working conditions of wind turbines with great fidelity,thereby providing an effective method for wind turbine design and optimization.

Effects of layer interactions on instantaneous stability of finite Stokes flows

The stability analysis of a finite Stokes layer is of practical importance in flow control. In the present work, the instantaneous stability of a finite Stokes layer with layer interactions is studied via a linear stability analysis of the frozen phases of the base flow. The oscillations of two plates can have different velocity amplitudes, initial phases, and frequencies. The effects of the Stokes-layer interactions on the stability when two plates oscillate synchronously are analyzed. The growth rates of two most unstable modes when δ < 0.12 are almost equal, and δ = δ*/h*, where δ*and h*are the Stokes-layer thickness and the half height of the channel, respectively. However, their vorticities are different. The vorticity of the most unstable mode is symmetric, while the other is asymmetric. The Stokes-layer interactions have a destabilizing effect on the most unstable mode when δ < 0.68, and have a stabilizing effect when δ > 0.68. However, the interactions always have a stabilizing effect on the other unstable mode. It is explained that one of the two unstable modes has much higher dissipation than the other one when the Stokes-layer interactions are strong. We also find that the stability of the Stokes layer is closely related to the inflectional points of the base-flow velocity profile. The effects of inconsistent velocity-amplitude, initial phase, and frequency of the oscillations on the stability are analyzed. The energy of the most unstable eigenvector is mainly distributed near the plate of higher velocity amplitude or higher oscillation frequency. The effects of the initial phase difference are complicated because the base-flow velocity is extremely sensitive to the initial phase.

Analysis and Optimization of Flow-Guided Structure Based on Fluid-Structure Interaction

Gases containing sulfur oxides can cause corrosion and failure of bellows used as furnace blowers in high-temperature environments.In order to mitigate this issue,the behavior of an effective blast furnace blower has been examined in detail.Firstly,the Sereda corrosion model has been introduced to simulate the corrosion rate of the related bellows taking into account the effects of temperature and SO_(2) gas;such results have been compared with effective measurements;then,the average gas velocity in the pipeline and the von Mises stress distribution of the inner draft tube have been analyzed using a Fluid-Structure Interaction model.Finally,the semi-closed internal corrosion environment caused by a 5 mm radial gap between the inner draft tube and the bellows has been considered.The gas flow rate in the residential space has been found to be low(0.5 ms–this value leads to a stable semi-closed internal corrosion environment for exhaust gas exchange);water phase in the exhaust gas is prone to accelerate the corrosion rate.On this basis,a bellows with an optimized inner draft tube has proposed,which includes corrosion-resistant honeycomb buffer rings.

FLOCKING OF A THERMODYNAMIC CUCKER-SMALE MODEL WITH LOCAL VELOCITY INTERACTIONS

In this paper, we study the flocking behavior of a thermodynamic Cucker–Smale model with local velocity interactions. Using the spectral gap of a connected stochastic matrix, together with an elaborate estimate on perturbations of a linearized system, we provide a sufficient framework in terms of initial data and model parameters to guarantee flocking. Moreover, it is shown that the system achieves a consensus at an exponential rate.

Local coordination and electronic interactions of Pd/MXene via dual‐atom codoping with superior durability for efficient electrocatalytic ethanol oxidation

Catalyst design relies heavily on electronic metal‐support interactions,but the metal‐support interface with an uncontrollable electronic or coordination environment makes it challenging.Herein,we outline a promising approach for the rational design of catalysts involving heteroatoms as anchors for Pd nanoparticles for ethanol oxidation reaction(EOR)catalysis.The doped B and N atoms from dimethylamine borane(DB)occupy the position of the Ti_(3)C_(2) lattice to anchor the supported Pd nanoparticles.The electrons transfer from the support to B atoms,and then to the metal Pd to form a stable electronic center.A strong electronic interaction can be produced and the d‐band center can be shifted down,driving Pd into the dominant metallic state and making Pd nanoparticles deposit uniformly on the support.As‐obtained Pd/DB–Ti_(3)C_(2) exhibits superior durability to its counterpart(∼14.6% retention)with 91.1% retention after 2000 cycles,placing it among the top single metal anodic catalysts.Further,in situ Raman and density functional theory computations confirm that Pd/DB–Ti_(3)C_(2) is capable of dehydrogenating ethanol at low reaction energies.

Three-dimensional numerical analysis of plant-soil hydraulic interactions on pore water pressure of vegetated slope under different rainfall patterns

Understanding the pore water pressure distribution in unsaturated soil is crucial in predicting shallow landslides triggered by rainfall,mainly when dealing with different temporal patterns of rainfall intensity.However,the hydrological response of vegetated slopes,especially three-dimensional(3D)slopes covered with shrubs,under different rainfall patterns remains unclear and requires further investigation.To address this issue,this study adopts a novel 3D numerical model for simulating hydraulic interactions between the root system of the shrub and the surrounding soil.Three series of numerical parametric studies are conducted to investigate the influences of slope inclination,rainfall pattern and rainfall duration.Four rainfall patterns(advanced,bimodal,delayed,and uniform)and two rainfall durations(4-h intense and 168-h mild rainfall)are considered to study the hydrological response of the slope.The computed results show that 17%higher transpiration-induced suction is found for a steeper slope,which remains even after a short,intense rainfall with a 100-year return period.The extreme rainfalls with advanced(PA),bimodal(PB)and uniform(PU)rainfall patterns need to be considered for the short rainfall duration(4 h),while the delayed(PD)and uniform(PU)rainfall patterns are highly recommended for long rainfall durations(168 h).The presence of plants can improve slope stability markedly under extreme rainfall with a short duration(4 h).For the long duration(168 h),the benefit of the plant in preserving pore-water pressure(PWP)and slope stability may not be sufficient.

T cell interactions with microglia in immune-inflammatory processes of ischemic stroke

The primary mechanism of secondary injury after cerebral ischemia may be the brain inflammation that emerges after an ischemic stroke,which promotes neuronal death and inhibits nerve tissue regeneration.As the first immune cells to be activated after an ischemic stroke,microglia play an important immunomodulatory role in the progression of the condition.After an ischemic stroke,peripheral blood immune cells(mainly T cells)are recruited to the central nervous system by chemokines secreted by immune cells in the brain,where they interact with central nervous system cells(mainly microglia)to trigger a secondary neuroimmune response.This review summarizes the interactions between T cells and microglia in the immune-inflammatory processes of ischemic stroke.We found that,during ischemic stroke,T cells and microglia demonstrate a more pronounced synergistic effect.Th1,Th17,and M1 microglia can co-secrete proinflammatory factors,such as interferon-γ,tumor necrosis factor-α,and interleukin-1β,to promote neuroinflammation and exacerbate brain injury.Th2,Treg,and M2 microglia jointly secrete anti-inflammatory factors,such as interleukin-4,interleukin-10,and transforming growth factor-β,to inhibit the progression of neuroinflammation,as well as growth factors such as brain-derived neurotrophic factor to promote nerve regeneration and repair brain injury.Immune interactions between microglia and T cells influence the direction of the subsequent neuroinflammation,which in turn determines the prognosis of ischemic stroke patients.Clinical trials have been conducted on the ways to modulate the interactions between T cells and microglia toward anti-inflammatory communication using the immunosuppressant fingolimod or overdosing with Treg cells to promote neural tissue repair and reduce the damage caused by ischemic stroke.However,such studies have been relatively infrequent,and clinical experience is still insufficient.In summary,in ischemic stroke,T cell subsets and activated microglia act synergistically to regulate inflammatory progression,mainly by secreting inflammatory factors.In the future,a key research direction for ischemic stroke treatment could be rooted in the enhancement of anti-inflammatory factor secretion by promoting the generation of Th2 and Treg cells,along with the activation of M2-type microglia.These approaches may alleviate neuroinflammation and facilitate the repair of neural tissues.

Achieving asymmetric redox chemistry for oxygen evolution reaction through strong metal-support interactions

Water electrolysis poses a significant challenge for balancing catalytic activity and stability of oxygen evolution reaction(OER)electrocatalysts.In this study,we address this challenge by constructing asymmetric redox chemistry through elaborate surface OO–Ru–OH and bulk Ru–O–Ni/Fe coordination moieties within single-atom Ru-decorated defective NiFe LDH nanosheets(Ru@d-NiFe LDH)in conjunction with strong metal-support interactions(SMSI).Rigorous spectroscopic characterization and theoretical calculations indicate that single-atom Ru can delocalize the O 2p electrons on the surface and optimize d-electron configurations of metal atoms in bulk through SMSI.The^(18)O isotope labeling experiment based on operando differential electrochemical mass spectrometry(DEMS),chemical probe experiments,and theoretical calculations confirm the encouraged surface lattice oxygen,stabilized bulk lattice oxygen,and enhanced adsorption of oxygen-containing intermediates for bulk metals in Ru@d-NiFe LDH,leading to asymmetric redox chemistry for OER.The Ru@d-NiFe LDH electrocatalyst exhibits exceptional performance with an overpotential of 230 mV to achieve 10 mA cm^(−2)and maintains high robustness under industrial current density.This approach for achieving asymmetric redox chemistry through SMSI presents a new avenue for developing high-performance electrocatalysts and instills confidence in its industrial applicability.

Dietary polyphenols reduced the allergenicity ofβ-lactoglobulin via non-covalent interactions:a study on the structure-allergenicity relationship

Studies showed that complexation of polyphenols with milk allergens reduced their immunogenic potential.However,the relationship between structures of polyphenols and their hypoallergenic effects on milk allergens in association with physiological and conformational changes of the complexes remain unclear.In this study,polyphenols from eight botanical sources were extracted to prepare non-covalent complexes withβ-lactoglobulin(β-LG),a major allergen in milk.The dominant phenolic compounds bound toβ-LG with a diminished allergenicity were identified to investigate their respective role on the structural and allergenic properties ofβ-LG.Extracts from Vaccinium fruits and black soybeans were found to have great inhibitory effects on the IgE-and IgG-binding abilities ofβ-LG.Among the fourteen structure-related phenolic compounds,flavonoids and tannins with larger MWs and multi-hydroxyl substituents,notably rutin,EGCG,and ellagitannins were more potent to elicit changes on the conformational structures ofβ-LG to decrease the allergenicity of complexedβ-LG.Correlation analysis further demonstrated that a destabilized secondary structure and protein depolymerization caused by polyphenol-binding were closely related to the allergenicity property of formed complexes.This study provides insights into the understanding of structure-allergenicity relationship ofβ-LG-polyphenol interactions and would benefit the development of polyphenol-fortified matrices with hypoallergenic potential.

Drug-Drug Interactions in Patients with Breast Cancer

The research paper investigates the intricate landscape of drug-drug interactions (DDIs) within the context of breast cancer treatment, with a particular focus on the elderly population and the use of complementary and alternative medicine (CAM). The study underscores the heightened susceptibility of elderly patients to DDIs due to the prevalence of polypharmacy and the widespread utilization of CAM among breast cancer patients. The potential ramifications of DDIs, encompassing adverse drug events and diminished treatment efficacy, are elucidated. The paper accentuates the imperative for healthcare providers to comprehensively understand both conventional and CAM therapies, enabling them to provide patients with informed guidance regarding safe and efficacious treatment options, culminating in enhanced patient outcomes.