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Mesoscale simulation of the compression and small-strain elastic shear behavior of illite nanoparticle assemblies
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2025-01-17 DOI: 10.1007/s11440-024-02440-7
Hejian Zhu, Andrew J. Whittle, Roland J.-M. Pellenq

The mechanical properties of clay minerals are largely dependent upon the chemical compositions and the mesoscale fabrics of the constituent particles. This paper describes results of a series of mesoscale molecular dynamics simulations of the hydrostatic compression and shear strain behavior for initially randomly oriented assemblies of 103 illite primary particles. The particles are simulated as rigid-body ellipsoids that interact through the single-site, Gay–Berne potential function. This corresponds to a coarse-grained model based on prior atomistic scale computation of the potential of mean force for water-mediated interactions between pairs of particles through free energy perturbation method. We investigate the mesoscale fabrics of the NPT-equilibrated assemblies for confining pressures ranging from 1.0 to 125 atm, including path dependence associated with unloading and reloading. We analyze and quantify the geometric arrangement including particle orientation, specific surface area, properties of particle stacks/aggregates, and interstack pair correlation functions. The compression of each particle assembly is associated with large irrecoverable changes in void ratio, while unloading and reloading involves much smaller, largely recoverable volumetric strains. The results are qualitatively similar to macroscopic compression behavior reported in laboratory tests. We simulate the uniaxial and shear behavior at each of the equilibrated pressure states through a series of strain-controlled steps, allowing full relaxation of the virial stresses computed at each step. The simulations investigate directional and path dependence of the shear behavior for strain deviations up to 0.2%. The results show the onset on nonlinear stiffness properties at strain levels (sim)0.01% and hysteretic behavior upon unloading and reloading. Small-strain stiffness properties of the particle assemblies are qualitatively in good agreement with quasi-static, elastic stiffness properties reported for illitic clays.

粘土矿物的机械特性在很大程度上取决于组成颗粒的化学成分和中尺度结构。本文介绍了一系列中尺度分子动力学模拟结果,模拟了 103 个伊利石原生颗粒初始随机定向组合的静水压力和剪切应变行为。这些颗粒被模拟为刚体椭圆体,通过单点盖-伯恩势函数相互作用。这相当于一个粗粒度模型,它基于事先通过自由能扰动法计算出的成对粒子间以水为介质的相互作用的平均力势的原子尺度。我们研究了封闭压力从 1.0 到 125 atm 的 NPT 平衡组装体的中尺度结构,包括与卸载和重载相关的路径依赖性。我们分析并量化了几何排列,包括颗粒取向、比表面积、颗粒堆叠/聚集的特性以及堆叠对相关函数。每个颗粒组件的压缩都会导致空隙率发生不可恢复的巨大变化,而卸载和重新加载则会产生小得多且基本可恢复的体积应变。其结果与实验室测试报告的宏观压缩行为在性质上十分相似。我们通过一系列应变控制步骤模拟了每种平衡压力状态下的单轴和剪切行为,允许每一步计算出的病毒应力完全松弛。模拟研究了应变偏差达 0.2% 时剪切行为的方向和路径依赖性。结果显示,在应变水平(sim)0.01%时,非线性刚度特性开始出现,并且在卸载和重载时出现滞后行为。颗粒组件的小应变刚度特性与所报道的伊利石粘土的准静态弹性刚度特性非常一致。
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引用次数: 0
A chemo-mechanical model of the swelling of anhydritic claystones
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2025-01-10 DOI: 10.1007/s11440-024-02447-0
Antonia Nousiou, Georgios Anagnostou

Anhydritic claystones are widely distributed in the Gypsum Keuper formation. Their swelling is associated with the chemical process of anhydrite to gypsum transformation and has caused extensive damages in tunnels. Even though this problem has attracted great scientific interest, an adequate mathematical description of the swelling of anhydritic rocks is still missing. The present paper contributes towards closing this gap by formulating a coupled chemo-mechanical constitutive model, which considers anhydritic rock as an elastoplastic porous medium according to the principle of effective stresses, with a Mohr–Coulomb yield criterion, a non-associated flow rule and an additional, chemically induced strain component. The volumetric chemical strain is equal to the sum of the changes of the volume of the solids and of the pore volume. The change of the volume of the solids depends on the stoichiometry of the chemical reaction and is proportional to the mass of the transformed anhydrite. The pore volume may increase or decrease during the anhydrite to gypsum transformation, depending on how gypsum grows. The pore volume increases if the gypsum crystals crack and expand the matrix, and decreases if the gypsum crystals precipitate within the available pore space. The proposed model considers experimental results according to which the higher the stresses and porosity, the lower the increase in pore volume. In addition, the model assumes that the chemical strains are coaxial with the principal stresses and that the volumetric chemical strain in each principal direction is inversely proportional to the corresponding principal stress. The model is calibrated with results of tests on artificial anhydrite-kaolin specimens and achieves a very high correlation degree (R2 = 0.92).

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引用次数: 0
Strength enhancement of Ca(OH)2 activated ground granulated blast furnace slag-stabilized dredged sediments using Na2CO3
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2025-01-04 DOI: 10.1007/s11440-024-02470-1
Ning Ma, Hailong Ye, Clarence Edward Choi, Jiaqi Zhang

The efficiency of alkali-activated ground granulated blast furnace slag in stabilizing dredged sediments with high water contents is suboptimal because the activators become diluted. To improve stabilization efficiency, additives such as nano-CaCO3 are proposed. However, some of the proposed additives may not be practical owing to their high costs. This study experimentally investigates the addition of Na2CO3 for the stabilization of dredged sediment with high water contents (i.e., 100%) using Ca(OH)2-activated slag. Experimental results show the optimal content of Na2CO3 to obtain the highest 28-day unconfined compressive strength of stabilized sediments is 0.2% gravimetrically. Below the optimal content, the strength increases with Na2CO3 content. Above the optimal content, a decrease in strength is observed. By examining the reaction products and microstructure of the stabilized dredged sediments, it is observed that the coupling mechanism of cation exchange and calcite precipitation promotes the development of finer capillary pores, leading to a reduction in interpore connectivity and lower structural heterogeneity of the fine capillary pores. Experimental evidence from this study broadens the practical applications of sustainable soil stabilization using additives.

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引用次数: 0
Uncertainty quantification in data-driven modelling with application to soil properties prediction 数据驱动建模中的不确定性量化,应用于土壤特性预测
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2025-01-03 DOI: 10.1007/s11440-024-02484-9
Geng-Fu He, Zhen-Yu Yin, Pin Zhang

Accurate estimation of soil properties is crucial for reliability-based design in engineering practices. Conventional empirical equations and prevalent data-driven models rarely consider uncertainty quantification in both measurement and modelling processes. This study tailors three uncertainty quantification methods including Bayesian learning, Markov chain Monte Carlo and ensemble learning into data-driven modelling, in which support vector regression is selected as the baseline algorithm. The compression index of clay is adopted as an example for model training and testing. In this context, Bayesian learning and Markov chain quantify uncertainty by considering the distribution of function and hyper-parameters, respectively, while different sampled data are employed to explore model uncertainty. These models are evaluated in terms of accuracy, reliability and cost-effectiveness and also compared with Gaussian process regression, etc. The results reveal that based on built-in structural risk minimization, sparse solution and uncertainty quantification, developed models can capture more accurate and reliable correlations from actual measured data over other methods. Their practicability and generalization ability are also verified on a new creep index database. The proposed probabilistic methods are also compiled into a user-friendly platform, showing a significant potential to enrich the data-driven modelling framework and be applied in other geotechnical properties.

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引用次数: 0
Sensitivity analysis on critical combinations of input parameters in DEM granular flow analysis DEM颗粒流分析中输入参数关键组合的敏感性分析
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2024-12-20 DOI: 10.1007/s11440-024-02499-2
Junsen Xiao, Kenta Tozato, Reika Nomura, Yu Otake, Kenjiro Terada, Shuji Moriguchi

Granular flow is a typical process that occurs in sediment disasters, including rockfalls, avalanches and landslides, etc. The runout distance in granular flow is closely associated with the ultimate impact range of these sediment disasters. However, this factor is often highly sensitive to various physical parameters and exhibits significant randomness. Hence the study of granular flow is crucial to elucidating the mechanism of such disasters and even to disaster prevention and mitigation. In recent years, a numerical simulation called discrete element method (DEM) that simulates at the particle level has been widely used in this field. Based on the above situation, this study aimed to capture the critical DEM input parameter combinations for risk assessment in a four-dimensional parameter space considering the particle size distribution. XGBoost feature importance is employed to decide the search priority, and its results indicate that the friction angle with bottom surface (FABS) and coefficient of restitution (COR) are the key parameters. The two key parameter spaces were then comprehensively explored using Gaussian process regression response surfaces. The correlation between the FABS and runout distance appeared as a convex function. The COR exhibited diverse degrees of approximately linear correlation with the runout distance throughout the granular flow. The particle size distribution indirectly led to inconsistencies between the bidisperse flow and other granular flows in the influence mechanisms of the key parameters. By clarifying this effect, we efficiently identified two critical parameter combinations for granular flow DEM simulation.

颗粒流是发生在落石、雪崩、滑坡等泥沙灾害中的典型过程。颗粒流的跳动距离与这些泥沙灾害的最终影响范围密切相关。然而,这一因素往往对各种物理参数高度敏感,并表现出显著的随机性。因此,颗粒流的研究对于阐明这类灾害的发生机理,甚至对防灾减灾具有重要意义。近年来,在颗粒水平上进行数值模拟的离散元法(DEM)在该领域得到了广泛的应用。基于上述情况,本研究旨在在考虑粒径分布的四维参数空间中获取用于风险评估的关键DEM输入参数组合。利用XGBoost特征重要度来决定搜索优先级,结果表明,底面摩擦角(FABS)和恢复系数(COR)是关键参数。然后利用高斯过程回归响应面对两个关键参数空间进行综合探索。FABS与跳动距离呈凸函数关系。在整个颗粒流过程中,COR与跳动距离呈现不同程度的近似线性相关。粒径分布间接导致了双分散流与其他颗粒流在关键参数影响机制上的不一致。通过澄清这种影响,我们有效地确定了颗粒流DEM模拟的两个关键参数组合。
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引用次数: 0
Investigations on mechanical responses of frozen soil–rock mixture under cyclic loading: experiments and binary-medium-based multiscale constitutive model 循环荷载作用下冻土-岩石混合体力学响应研究:试验与二元介质多尺度本构模型
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2024-12-18 DOI: 10.1007/s11440-024-02480-z
Dan Wang, Enlong Liu, Qihao Yu, Chengsong Yang, Yunming Yang, Bingtang Song, Jian Kang, Ling Chen, Haotian Wei, Qiong Li

In cold regions, the frozen soil–rock mixture (FSRM) is subjected to cyclic loading coupled with freeze–thaw cycles due to seismic loading and ambient temperature changes. In this study, in order to investigate the dynamic mechanical response of FSRM, a series of cyclic cryo-triaxial tests were performed at a temperature of −10 °C on FRSM with different coarse-grained contents under different loading conditions after freeze–thaw cycles. The experimental results show that the coarse-grained contents and freeze–thaw cycles have a significant influence on the deformation properties of FSRM under cyclic loading. Correspondingly, a novel binary-medium-based multiscale constitutive model is firstly proposed to describe the dynamic elastoplastic deformation of FSRM based on the coupling theoretical framework of breakage mechanics for geomaterials and homogenization theory. Considering the multiscale heterogeneities, ice-cementation differences, and the breakage process of FSRM under external loading, the relationship between the microscale compositions, the mesoscale deformation mechanism (including cementation breakage and frictional sliding), and the macroscopic mechanical response of the frozen soil is first established by two steps of homogenization on the proposed model. Meanwhile, a mixed hardening rule that combines the isotropic hardening rule and kinematic hardening is employed to properly evaluate the cyclic plastic behavior of FSRM. Finally, comparisons between the predicted results and experimental results show that the proposed multiscale model can simultaneously capture the main feature of stress–strain (nonlinearity, hysteresis, and plastic strain accumulation) and volumetric strain (contraction and dilatancy) of the studied material under cyclic loading.

在寒冷地区,由于地震荷载和环境温度的变化,冻土石混合体(FSRM)受到冻融循环的双重作用。为了研究FSRM的动态力学响应,在冻融循环后的不同加载条件下,对不同粗粒含量的FSRM在−10℃的温度下进行了一系列循环冷冻-三轴试验。试验结果表明,粗粒含量和冻融循环次数对FSRM在循环荷载作用下的变形特性有显著影响。相应地,基于岩土材料断裂力学与均质化理论的耦合理论框架,首次提出了一种新的基于二元介质的多尺度本构模型来描述FSRM的动态弹塑性变形。考虑到外荷载作用下FSRM的多尺度非均质性、冰-胶结差异和破坏过程,首先在该模型上通过两步均质化建立了冻土微观组成、中尺度变形机制(包括胶结破坏和摩擦滑动)和宏观力学响应之间的关系。同时,采用各向同性硬化和运动硬化相结合的混合硬化准则来评价FSRM的循环塑性行为。最后,将预测结果与试验结果进行对比,结果表明所建立的多尺度模型能够同时反映材料在循环荷载作用下的应力-应变(非线性、滞后和塑性应变积累)和体积应变(收缩和剪胀)的主要特征。
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引用次数: 0
Cosserat model incorporating anisotropy evolution and its application in numerical analysis of strain localization in clay 考虑各向异性演化的Cosserat模型及其在粘土应变局部化数值分析中的应用
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2024-12-16 DOI: 10.1007/s11440-024-02483-w
Wencheng Wei, Hongxiang Tang, Yang Liu, Haolong Chen

This paper deeply couples the exponential-type nonlinear strain softening with the anisotropic method of microstructure tensor combined stress invariants, proposing an effective strength formula that reflects the anisotropy evolution of soil. Furthermore, an expression for the anisotropy ratio k of strength as an equivalent plastic strain-related variable is derived. For natural clay, this evolution of strength anisotropy is incorporated into the Mohr–Coulomb-matched Drucker–Prager (MC-matched DP) yield criterion within the Cosserat continuum framework, resulting in a more refined soil constitutive model. The main strength parameters required for this model can be conveniently obtained based on conventional soil tests, and the model functionality can be degraded through parameter adjustments. The detailed procedure of stress updating algorithm and the elastoplastic tangent modulus matrix are provided for the constitutive integration. Through the finite element implementation, the superiority of the model is demonstrated compared with existing literature. Also, a biaxial compression example is systematically analyzed to prove that the model can effectively reflect the sensitivity of soil to loading direction. Moreover, the evolution of the shear band morphology, particle rotation in the shear band, and the anisotropy degree presented by the model are consistent with previous experimental studies and discrete element method (DEM)-related literature results. Furthermore, the proposed model effectively addresses numerical convergence issues and mesh size dependence usually encountered in classical models during the simulation of strain localization occurred in the soil.

本文将指数型非线性应变软化与微观结构张量组合应力不变量的各向异性方法深入耦合,提出了反映土体各向异性演化的有效强度公式。进一步推导了强度各向异性比k作为等效塑性应变相关变量的表达式。对于天然粘土,这种强度各向异性的演变被纳入coserat连续体框架内的Mohr-Coulomb-matched Drucker-Prager (MC-matched DP)屈服准则,从而得到更精细的土本构模型。该模型所需的主要强度参数可以在常规土工试验的基础上方便地获得,并且可以通过参数调整来降低模型的功能。给出了本构积分的应力更新算法和弹塑性切模矩阵的详细步骤。通过有限元实现,与现有文献进行了比较,证明了该模型的优越性。通过对一个双轴压缩算例的系统分析,证明了该模型能有效反映土体对加载方向的敏感性。此外,剪切带形态的演变、剪切带中颗粒的旋转以及模型所呈现的各向异性程度与前人的实验研究和离散元法(DEM)相关文献结果一致。此外,该模型有效地解决了传统模型在模拟土壤应变局部化过程中经常遇到的数值收敛问题和网格尺寸依赖问题。
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引用次数: 0
Final steady state of sloping capillary barriers under constant intensity rain: development and numerical validation of a simplified method of analysis 恒强雨作用下倾斜毛细屏障的最终稳态:一种简化分析方法的发展与数值验证
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2024-12-16 DOI: 10.1007/s11440-024-02492-9
Simon J. Wheeler, Paverean Mudcharoen, Riccardo Scarfone

A new simplified method of analysis is proposed for predicting the final steady state behaviour of sloping capillary barriers subjected to continuous rain of constant intensity. In contrast to an existing simplified method, the proposed new method assumes approximate final steady state suction profiles on vertical cross-sections of the finer layer that are appropriate for sloping capillary barriers, with flow parallel to the slope in the lower part of the finer layer. Numerical validation, performed by hydraulic FE modelling, shows that, in all cases studied, the final steady state profiles of suction, degree of saturation and horizontal seepage velocity predicted by the new simplified method are excellent matches to the corresponding results from FE simulations. As a consequence, values of water storage capacity and water transfer capacity are accurately predicted in all cases, together with the final steady state variation of water stored with horizontal coordinate. A parametric study shows the influence of key variables (slope angle, material of finer layer, thickness of finer layer and rainfall intensity) on water storage capacity and water transfer capacity of sloping capillary barriers.

提出了一种新的简化分析方法,用于预测在等强连续降雨作用下倾斜毛细屏障的最终稳态行为。与现有的简化方法相比,所提出的新方法假设了适用于倾斜毛管屏障的细颗粒层垂直截面上近似的最终稳态吸力分布,并且细颗粒层下部的流动平行于斜坡。通过水力有限元模拟进行的数值验证表明,在所有研究情况下,新简化方法预测的最终稳态吸力、饱和度和水平渗流速度曲线与有限元模拟结果吻合良好。因此,在所有情况下均能准确地预测储水能力和输水能力的值,并以水平坐标预测储水的最终稳态变化。参数化研究表明,坡角、细层材料、细层厚度、降雨强度等关键变量对坡面毛细屏障蓄水和输水能力的影响。
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引用次数: 0
Mechanical and deformation behavior of layered hydrate-bearing clayey-silty sediments: different effective confining pressures and clay content analyses
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2024-12-14 DOI: 10.1007/s11440-024-02496-5
Songkui Sang, Liang Kong, Zhaoyuan Zeng, Yapeng Zhao, Jiaqi Liu, Shijun Zhao

The layered distribution of hydrates significantly influences the mechanical properties of hydrate-bearing sediments (HBS). A comprehensive understanding of the mechanical and deformation behaviors of layered HBS is essential for the safe and effective exploitation of hydrates. In this study, marine clay from the South China Sea and quartz sand were used to simulate hydrate-bearing clayey-silty sediments, and layered hydrate-bearing clayey-silty sediments (LHBCSS) were prepared. A series of consolidated-drained triaxial tests were conducted, and the results were compared with those from homogeneous hydrate-bearing clayey-silty sediments (HHBCSS) to analyze the differences in mechanical properties and deformation characteristics. The shear strength and deformation behavior of LHBCSS were further investigated. The results show that the layered distribution of hydrates reduces the initial stiffness and strength of HBS, while promoting strain hardening in the specimens. The failure strength of LHBCSS is significantly influenced by the effective confining pressure, with the clay content having no obvious effect. However, the clay content is negatively correlated with the secant modulus (E50). The internal friction angle of the LHBCSS is higher than that of the HHBCSS, and the cohesion of the LHBCSS gradually increases with the clay content. The layered hydrate distribution causes the volumetric strain of HBS to favor shear contraction. The maximum shear dilatation rate of LHBCSS is notably lower than that of HHBCSS, and the clay content has a minimal effect on the critical stress ratio of LHBCSS. The layered distribution of hydrates alters the stress behavior between the upper and lower layers of the specimen, with the low hydrate saturation layer having a greater influence on the overall strength and deformation characteristics of the HBS.

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引用次数: 0
New simplified stability analysis method of structuralized cemented slopes 结构化胶结边坡稳定性简化分析新方法
IF 5.6 1区 工程技术 Q1 ENGINEERING, GEOLOGICAL Pub Date : 2024-12-12 DOI: 10.1007/s11440-024-02495-6
Sujia Liu, Fangyue Luo, Ga Zhang

In recent years, structuralized cementation method has become a novel and promising method for reinforcement of coarse-grained soil slope, which has been proved by practical application. Nevertheless, structuralized cemented slopes with gradient material properties cannot be analyzed using the current methods. The structuralized cemented slope is divided into pure soil zone, variation zone, and solidification zone. The constitutive models of cemented soil in the three zones are proposed, respectively. Slip surfaces of structuralized cemented slopes are all assumed as circular arc shape. It is proved that the displacement compatibility rule is valid for the structuralized cemented slope. A new simple approach is proposed through extension of simplified Bishop slice approach for analyzing structuralized cemented slope stability degree with different cement distribution under various conditions. Our proposed approach involves few parameters examined by element tests. Through analyzing structuralized cemented slopes based on vertical loading and excavation conditions, our proposed method is validated, showing agreement with centrifuge model test analysis. Application of this approach to an actual slope based on excavation conditions reveals that an expanded solidification zone enhances slope safety and reduces shear deformation. Stability remains relatively constant once the solidification zone reaches a certain size. This result underscores the practical value of the proposed method in predicting and optimizing the stability of structuralized cemented slopes.

近年来,结构胶结法已成为一种新型的、有发展前途的粗粒土质边坡加固方法,并得到了实际应用的证明。然而,具有梯度材料特性的结构化胶结边坡无法用现有的方法进行分析。将结构化的胶结边坡划分为纯土区、变异区和固化区。分别提出了三区水泥土的本构模型。结构化胶结边坡的滑移面均假定为圆弧形。证明了位移协调规律对结构化胶结边坡是有效的。通过对简化Bishop切片法的扩展,提出了一种新的简便方法,用于分析不同条件下不同水泥分布的结构化胶结边坡稳定性。我们提出的方法只涉及几个由元素测试检验的参数。通过对基于竖向荷载和开挖条件的结构化胶结边坡的分析,验证了本文方法的有效性,与离心模型试验分析结果一致。基于开挖条件的实际边坡分析表明,扩大凝固区可以提高边坡的安全性,减小边坡的剪切变形。一旦凝固区域达到一定尺寸,稳定性保持相对恒定。这一结果表明了该方法在结构化胶结边坡稳定性预测和优化中的实用价值。
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引用次数: 0
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