Volumetric lattice Boltzmann method for pore-scale mass diffusionadvection process in geopolymer porous structures

Porous materials present significant advantages for absorbing radioactive isotopes in nuclear waste streams.To improve absorption efficiency in nuclear waste treatment,a thorough understanding of the diffusion-advection process within porous structures is essential for material design.In this study,we present advancements in the volumetric lattice Boltzmann method(VLBM)for modeling and simulating pore-scale diffusion-advection of radioactive isotopes within geopolymer porous structures.These structures are created using the phase field method(PFM)to precisely control pore architectures.In our VLBM approach,we introduce a concentration field of an isotope seamlessly coupled with the velocity field and solve it by the time evolution of its particle population function.To address the computational intensity inherent in the coupled lattice Boltzmann equations for velocity and concentration fields,we implement graphics processing unit(GPU)parallelization.Validation of the developed model involves examining the flow and diffusion fields in porous structures.Remarkably,good agreement is observed for both the velocity field from VLBM and multiphysics object-oriented simulation environment(MOOSE),and the concentration field from VLBM and the finite difference method(FDM).Furthermore,we investigate the effects of background flow,species diffusivity,and porosity on the diffusion-advection behavior by varying the background flow velocity,diffusion coefficient,and pore volume fraction,respectively.Notably,all three parameters exert an influence on the diffusion-advection process.Increased background flow and diffusivity markedly accelerate the process due to increased advection intensity and enhanced diffusion capability,respectively.Conversely,increasing the porosity has a less significant effect,causing a slight slowdown of the diffusion-advection process due to the expanded pore volume.This comprehensive parametric study provides valuable insights into the kinetics of isotope uptake in porous structures,facilitating the development of porous materials for nuclear waste treatment applications.

Random Green's Function Method for Large-Scale Electronic Structure Calculation

We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.

Efficient Preparation and Electrochemical Properties of BiOCl/Graphite by One-step Solvothermal Method

We used the surface-pretreated graphite paper(Gp)as a carrier and loaded BiOCl with high selectivity to Cl^(-)on its surface by solvothermal method to form BiOCl@Gp electrode.The morphology,structure,and composition of the materials were characterized by scanning electron microscopy and nitrogen adsorption/desorption,and the results showed that the spherical BiOCl particles were uniformly dispersed on the surface of the Gp,forming a mesoporous BiOCl@Gp composite with a specific surface area of 22.82 m^(2)/g and a pore volume of 0.043 cm3/g.Furthermore,cyclic voltammetry and electrochemical impedance spectroscopy were used to test the electrochemical properties of the composites,and the stability of BiOCl and the high conductivity of Gp were synergistic,the BiOCl@Gp exhibited a specific capacitance of 30.2 F·g^(-1) at a current density of 0.5 A·g^(-1),and the selectivity of the BiOCl@Gp materials for Cl^(-)was significantly higher than that of SO_(4)^(2-),NO_(2)^(-),and HCO_(3)^(-).Therefore,BiOCl@Gp composite electrode materials can be used for the selective adsorption of Cl^(-)in wastewater,in order to achieve efficient wastewater recycling.

Stability and Time-Step Constraints of Implicit-Explicit Runge-Kutta Methods for the Linearized Korteweg-de Vries Equation

This paper provides a study on the stability and time-step constraints of solving the linearized Korteweg-de Vries(KdV)equation,using implicit-explicit(IMEX)Runge-Kutta(RK)time integration methods combined with either finite difference(FD)or local discontinuous Galerkin(DG)spatial discretization.We analyze the stability of the fully discrete scheme,on a uniform mesh with periodic boundary conditions,using the Fourier method.For the linearized KdV equation,the IMEX schemes are stable under the standard Courant-Friedrichs-Lewy(CFL)conditionτ≤λh.Here,λis the CFL number,τis the time-step size,and h is the spatial mesh size.We study several IMEX schemes and characterize their CFL number as a function ofθ=d/h^(2)with d being the dispersion coefficient,which leads to several interesting observations.We also investigate the asymptotic behaviors of the CFL number for sufficiently refined meshes and derive the necessary conditions for the asymptotic stability of the IMEX-RK methods.Some numerical experiments are provided in the paper to illustrate the performance of IMEX methods under different time-step constraints.

Inversion method of deflection of the vertical based on SWOT wide-swath altimeter data

The deflection of the vertical(DOV)is the key information in the study of ocean gravity field.However,in most areas,the precision of the prime component of DoV is significantly lower than that of the meridian component.To obtain higher accuracy and resolution of ocean gravity information,researchers have proposed a novel altimeter called the wide-swath altimeter.This altimeter allows for the simultaneous acquisition of high-precision and high-resolution two-dimensional measurements of sea surface height(SSH).In this paper,the Surface Water and Ocean Topography(SWOT)mission with a wide-swath altimeter on board is selected for research.One cycle of swoT sea surface height data is simulated to inverse the DOV in the Arabian Sea(45°E—80°E,0°-30°N),and the inversion results are compared with those of conventional altimeter data.The results demonstrate that the difference between the meridian and prime components derived from the inversion of swoT wide-swath data is minimal,significantly outperforming the inversion results of conventional nadir altimeter data.The advantage of swoT wide-swath altimeter lies in its ability to use the multi-directional geoid slope at any sea surface measurement point to invert the components in the meridian and prime directions.To investigate the impact of this advantage on inversion precision,this paper employs a method to calculate the gradient of the geoid in multiple directions to invert DoV components.The improvement effect of calculating the gradient of the geoid in multiple directions on the precision of DoV component is analyzed.It is found that the accuracy of DoV inversion has significantly improved with the increase of geodetic gradient calculation direction.In addition,the effects of various errors and grid spacing in SwoT wide sea surface height data on the precision of Dov inversion are also analyzed.

Online identification and extraction method of regional large-scale adjustable load-aggregation characteristics

This article introduces the concept of load aggregation,which involves a comprehensive analysis of loads to acquire their external characteristics for the purpose of modeling and analyzing power systems.The online identification method is a computer-involved approach for data collection,processing,and system identification,commonly used for adaptive control and prediction.This paper proposes a method for dynamically aggregating large-scale adjustable loads to support high proportions of new energy integration,aiming to study the aggregation characteristics of regional large-scale adjustable loads using online identification techniques and feature extraction methods.The experiment selected 300 central air conditioners as the research subject and analyzed their regulation characteristics,economic efficiency,and comfort.The experimental results show that as the adjustment time of the air conditioner increases from 5 minutes to 35 minutes,the stable adjustment quantity during the adjustment period decreases from 28.46 to 3.57,indicating that air conditioning loads can be controlled over a long period and have better adjustment effects in the short term.Overall,the experimental results of this paper demonstrate that analyzing the aggregation characteristics of regional large-scale adjustable loads using online identification techniques and feature extraction algorithms is effective.

Application of excavation compensation method for enhancing stability and efficiency in shallow large-span rock tunnels

Engineering shallow,large-span rock tunnels challenges deformation control and escalates construction costs.This study investigates the excavation compensation method(ECM)and its associated technologies to address these issues.Utilizing five key technologies,the ECM effectively modulates radial stress post-excavation,redistributes stress in the surrounding rock,and eliminates tensile stress at the excavation face.Pre-tensioning measures further enhance the rock’s residual strength,establishing a new stability equilibrium.Field tests corroborate the method’s effectiveness,demonstrating a crown settlement reduction of 3–8 mm,a nearly 50%decrease compared to conventional construction approaches.Additionally,material consumption and construction duration were reduced by approximately 30%–35%and 1.75 months per 100 m,respectively.Thus,the ECM represents a significant innovation in enhancing the stability and construction efficiency of large-span rock tunnels,marking a novel contribution to the engineering field.

Lone-Star retractor perineal exposure method for laparoscopic abdominal perineal resection of rectal cancer

BACKGROUND The abdominal perineal resection(APR),historically referred to as Mile’s proce-dure,stands as a time-honored surgical intervention for rectal cancer manage-ment.Advancements in surgical techniques and the advent of neoadjuvant therapies have significantly improved the rate of sphincter preservation among patients afflicted with rectal cancer,including those with ultralow rectal cancer.Despite these improvements,APR maintains its irreplaceable role in the clinical landscape,particularly for cases involving low rectal cancer with encroachment on the external anal sphincter or levator ani muscles.Optimal perineal exposure stands as a pivotal phase in APR,given that the precision of this maneuver is directly correlated with both the safety of the surgery and the patient’s subse-quent long-term prognosis.AIM To evaluate the value of Lone-Star retractor(LSR)perineal exposure method in the treatment for laparoscopic APR of rectal cancer.METHODS We reviewed the records of 38 patients with rectal cancer at Anqing Municipal Hospital from January 2020 to December 2023,including 20 patients who underwent the APR procedure with a LSR perineal exposure method(LSR group)and 18 patients who underwent the APR procedure with a conventional perineal exposure method(control group).In the LSR group,following incision of the skin and subcutaneous tissue,the LSR was placed and dynamically adjusted according to the surgical plane to fully expose the perineal operative field.RESULTS A total of 38 patients underwent laparoscopic APR,none of whom were found to have distant metastasis upon intraoperative exploration.Perineal blood loss,the postoperative hospital stays and the wound pain scores in the LSR group were significantly lower than those in the control group.A single surgeon completed the perineal operation significantly more often in the LSR group than in the control group(P<0.05).The incidence of infection via the perineal incision in the LSR group was significantly lower than that in the control group(P<0.05).No cases of distant metastasis or local recurrence were found among the patients at the postoperative follow-up.CONCLUSION The application of the LSR technique might be helpful for performing perineal exposure during APR for rectal cancer and could reduce the incidence of perineal complications,shorten the postoperative hospital stay,improve postoperative pain,and allow one surgeon to perform the perineal operation.

基于Roe-Siegmund循环内聚力模型焊趾疲劳裂纹萌生仿真

为建立焊趾疲劳裂纹萌生行为仿真方法,基于Roe-Siegmund循环内聚力模型对ABAQUS进行二次开发,形成用于反映疲劳累积损伤的VUMAT子程序,依据文献方法及试验数据获取Q345焊接区域材料的内聚力参数,通过Voronoi图法和内聚力单元法生成具有疲劳累积损伤特性和晶粒特征的微观模型,并与宏观对接焊缝模型合并,进行多尺度疲劳裂纹萌生仿真模拟,获得裂纹萌生路径、临界循环次数及晶粒力学响应特征.结果表明,此方法能够自发地选择符合实际情况的裂纹萌生位置以及短裂纹扩展路径,完成对焊接区域材料微观断裂过程的模拟,不同仿真组获取的临界循环次数存在于一定的分布范围内,模型中的累积内聚力长度需通过试验数据进行拟合.

A comparison study on structure-function relationship of polysaccharides obtained from sea buckthorn berries using different methods:antioxidant and bile acid-binding capacity

In this study,the structural characters,antioxidant activities and bile acid-binding ability of sea buckthorn polysaccharides(HRPs)obtained by the commonly used hot water(HRP-W),pressurized hot water(HRP-H),ultrasonic(HRP-U),acid(HRP-C)and alkali(HRP-A)assisted extraction methods were investigated.The results demonstrated that extraction methods had significant effects on extraction yield,monosaccharide composition,molecular weight,particle size,triple-helical structure,and surface morphology of HRPs except for the major linkage bands.Thermogravimetric analysis showed that HRP-U with filamentous reticular microstructure exhibited better thermal stability.The HRP-A with the lowest molecular weight and highest arabinose content possessed the best antioxidant activities.Moreover,the rheological analysis indicated that HRPs with higher galacturonic acid content and molecular weight showed higher viscosity and stronger crosslinking network(HRP-C,HRP-W and HRP-U),which exhibited stronger bile acid binding capacity.The present findings provide scientific evidence in the preparation technology of sea buckthorn polysaccharides with good antioxidant and bile acid binding capacity which are related to the structure affected by the extraction methods.

Material point method simulation of hydro-mechanical behaviour in twophase porous geomaterials: A state-of-the-art review

The material point method(MPM)has been gaining increasing popularity as an appropriate approach to the solution of coupled hydro-mechanical problems involving large deformation.In this paper,we survey the current state-of-the-art in the MPM simulation of hydro-mechanical behaviour in two-phase porous geomaterials.The review covers the recent advances and developments in the MPM and their extensions to capture the coupled hydro-mechanical problems involving large deformations.The focus of this review is aiming at providing a clear picture of what has or has not been developed or implemented for simulating two-phase coupled large deformation problems,which will provide some direct reference for both practitioners and researchers.

Stability Analysis and Performance Evaluation of Additive Mixed-Precision Runge-Kutta Methods

Additive Runge-Kutta methods designed for preserving highly accurate solutions in mixed-precision computation were previously proposed and analyzed.These specially designed methods use reduced precision for the implicit computations and full precision for the explicit computations.In this work,we analyze the stability properties of these methods and their sensitivity to the low-precision rounding errors,and demonstrate their performance in terms of accuracy and efficiency.We develop codes in FORTRAN and Julia to solve nonlinear systems of ODEs and PDEs using the mixed-precision additive Runge-Kutta(MP-ARK)methods.The convergence,accuracy,and runtime of these methods are explored.We show that for a given level of accuracy,suitably chosen MP-ARK methods may provide significant reductions in runtime.

Generalized nth-Order Perturbation Method Based on Loop Subdivision Surface Boundary Element Method for Three-Dimensional Broadband Structural Acoustic Uncertainty Analysis

In this paper,a generalized nth-order perturbation method based on the isogeometric boundary element method is proposed for the uncertainty analysis of broadband structural acoustic scattering problems.The Burton-Miller method is employed to solve the problem of non-unique solutions that may be encountered in the external acoustic field,and the nth-order discretization formulation of the boundary integral equation is derived.In addition,the computation of loop subdivision surfaces and the subdivision rules are introduced.In order to confirm the effectiveness of the algorithm,the computed results are contrasted and analyzed with the results under Monte Carlo simulations(MCs)through several numerical examples.

Efficient slope reliability and sensitivity analysis using quantile-based first-order second-moment method

This paper introduces a novel approach for parameter sensitivity evaluation and efficient slope reliability analysis based on quantile-based first-order second-moment method(QFOSM).The core principles of the QFOSM are elucidated geometrically from the perspective of expanding ellipsoids.Based on this geometric interpretation,the QFOSM is further extended to estimate sensitivity indices and assess the significance of various uncertain parameters involved in the slope system.The proposed method has the advantage of computational simplicity,akin to the conventional first-order second-moment method(FOSM),while providing estimation accuracy close to that of the first-order reliability method(FORM).Its performance is demonstrated with a numerical example and three slope examples.The results show that the proposed method can efficiently estimate the slope reliability and simultaneously evaluate the sensitivity of the uncertain parameters.The proposed method does not involve complex optimization or iteration required by the FORM.It can provide a valuable complement to the existing approximate reliability analysis methods,offering rapid sensitivity evaluation and slope reliability analysis.

Trigonometric Regularization and Continuation Method Based Time-Optimal Control of Hypersonic Vehicles

Aiming at the time-optimal control problem of hypersonic vehicles(HSV)in ascending stage,a trigonometric regularization method(TRM)is introduced based on the indirect method of optimal control.This method avoids analyzing the switching function and distinguishing between singular control and bang-bang control,where the singular control problem is more complicated.While in bang-bang control,the costate variables are unsmooth due to the control jumping,resulting in difficulty in solving the two-point boundary value problem(TPBVP)induced by the indirect method.Aiming at the easy divergence when solving the TPBVP,the continuation method is introduced.This method uses the solution of the simplified problem as the initial value of the iteration.Then through solving a series of TPBVP,it approximates to the solution of the original complex problem.The calculation results show that through the above two methods,the time-optimal control problem of HSV in ascending stage under the complex model can be solved conveniently.

Implementation of a particle-in-cell method for the energy solver in 3D spherical geodynamic modeling

The thermal evolution of the Earth’s interior and its dynamic effects are the focus of Earth sciences.However,the commonly adopted grid-based temperature solver is usually prone to numerical oscillations,especially in the presence of sharp thermal gradients,such as when modeling subducting slabs and rising plumes.This phenomenon prohibits the correct representation of thermal evolution and may cause incorrect implications of geodynamic processes.After examining several approaches for removing these numerical oscillations,we show that the Lagrangian method provides an ideal way to solve this problem.In this study,we propose a particle-in-cell method as a strategy for improving the solution to the energy equation and demonstrate its effectiveness in both one-dimensional and three-dimensional thermal problems,as well as in a global spherical simulation with data assimilation.We have implemented this method in the open-source finite-element code CitcomS,which features a spherical coordinate system,distributed memory parallel computing,and data assimilation algorithms.

An Evidence-Based CoCoSo Framework with Double Hierarchy Linguistic Data for Viable Selection of Hydrogen Storage Methods

Hydrogen is the new age alternative energy source to combat energy demand and climate change.Storage of hydrogen is vital for a nation’s growth.Works of literature provide different methods for storing the produced hydrogen,and the rational selection of a viable method is crucial for promoting sustainability and green practices.Typically,hydrogen storage is associated with diverse sustainable and circular economy(SCE)criteria.As a result,the authors consider the situation a multi-criteria decision-making(MCDM)problem.Studies infer that previous models for hydrogen storage method(HSM)selection(i)do not consider preferences in the natural language form;(ii)weights of experts are not methodically determined;(iii)hesitation of experts during criteria weight assessment is not effectively explored;and(iv)three-stage solution of a suitable selection of HSM is unexplored.Driven by these gaps,in this paper,authors put forward a new integrated framework,which considers double hierarchy linguistic information for rating,criteria importance through inter-criteria correlation(CRITIC)for expert weight calculation,evidence-based Bayesian method for criteria weight estimation,and combined compromise solution(CoCoSo)for ranking HSMs.The applicability of the developed framework is testified by using a case example of HSM selection in India.Sensitivity and comparative analysis reveal the merits and limitations of the developed framework.

Numerical Investigations on the Resonance Errors of Multiscale Discontinuous Galerkin Methods for One-Dimensional Stationary Schrödinger Equation

In this paper,numerical experiments are carried out to investigate the impact of penalty parameters in the numerical traces on the resonance errors of high-order multiscale discontinuous Galerkin(DG)methods(Dong et al.in J Sci Comput 66:321–345,2016;Dong and Wang in J Comput Appl Math 380:1–11,2020)for a one-dimensional stationary Schrödinger equation.Previous work showed that penalty parameters were required to be positive in error analysis,but the methods with zero penalty parameters worked fine in numerical simulations on coarse meshes.In this work,by performing extensive numerical experiments,we discover that zero penalty parameters lead to resonance errors in the multiscale DG methods,and taking positive penalty parameters can effectively reduce resonance errors and make the matrix in the global linear system have better condition numbers.

AHermitian C^(2) Differential Reproducing Kernel Interpolation Meshless Method for the 3D Microstructure-Dependent Static Flexural Analysis of Simply Supported and Functionally Graded Microplates

This work develops a Hermitian C^(2) differential reproducing kernel interpolation meshless(DRKIM)method within the consistent couple stress theory(CCST)framework to study the three-dimensional(3D)microstructuredependent static flexural behavior of a functionally graded(FG)microplate subjected to mechanical loads and placed under full simple supports.In the formulation,we select the transverse stress and displacement components and their first-and second-order derivatives as primary variables.Then,we set up the differential reproducing conditions(DRCs)to obtain the shape functions of the Hermitian C^(2) differential reproducing kernel(DRK)interpolant’s derivatives without using direct differentiation.The interpolant’s shape function is combined with a primitive function that possesses Kronecker delta properties and an enrichment function that constituents DRCs.As a result,the primary variables and their first-and second-order derivatives satisfy the nodal interpolation properties.Subsequently,incorporating ourHermitianC^(2)DRKinterpolant intothe strong formof the3DCCST,we develop a DRKIM method to analyze the FG microplate’s 3D microstructure-dependent static flexural behavior.The Hermitian C^(2) DRKIM method is confirmed to be accurate and fast in its convergence rate by comparing the solutions it produces with the relevant 3D solutions available in the literature.Finally,the impact of essential factors on the transverse stresses,in-plane stresses,displacements,and couple stresses that are induced in the loaded microplate is examined.These factors include the length-to-thickness ratio,the material length-scale parameter,and the inhomogeneity index,which appear to be significant.

One-step green method to prepare progressive burning gun propellant through gradient denitration strategy

Gradiently denitrated gun propellant(GDGP)prepared by a“gradient denitration”strategy is obviously superior in progressive burning performance to the traditional deterred gun propellant.Currently,the preparation of GDGP employed a tedious two-step method involving organic solvents,which hinders the large-scale preparation of GDGP.In this paper,GDGP was successfully prepared via a novelty and environmentally friendly one-step method.The obtained samples were characterized by FT-IR,Raman,SEM and XPS.The results showed that the content of nitrate groups gradiently increased from the surface to the core in the surface layer of GDGP and the surface layer of GDGP exhibited a higher compaction than that of raw gun propellant,with a well-preserved nitrocellulose structure.The denitration process enabled the propellant surface with regressive energy density and good progressive burning performance,as confirmed by oxygen bomb and closed bomb test.At the same time,the effects of different solvents on the component loss of propellant were compared.The result showed that water caused the least component loss.Finally,the stability of GDGP was confirmed by methyl-violet test.This work not only provided environmentally friendly,simple and economic preparation of GDGP,but also confirmed the stability of GDGP prepared by this method.