Qiao Wang, Rui Xu, Fusheng Zha, Long Xu, Bo Kang, Heming Han
{"title":"Molecular insights into the adsorption behavior of PFAS on montmorillonite, polyethylene, and polypropylene: A molecular dynamics study","authors":"Qiao Wang, Rui Xu, Fusheng Zha, Long Xu, Bo Kang, Heming Han","doi":"10.1016/j.compgeo.2025.107461","DOIUrl":"10.1016/j.compgeo.2025.107461","url":null,"abstract":"<div><div>Per- and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants that pose significant challenges for subsurface containment and remediation. In this study, molecular dynamics simulations were employed to investigate the adsorption behavior of three representative PFAS compounds, including fluorotelomer alcohol (FTOH), perfluorooctane sulfonate (PFOS), and perfluorooctanoic acid (PFOA), on montmorillonite, polyethylene (PE), and polypropylene (PP), which are commonly encountered in geotechnical and barrier system materials. Simulation results indicate that FTOH exhibits the highest adsorption density on the polymeric matrices (PP and PE), whereas PFOS and PFOA preferentially adsorb onto montmorillonite. The strong adsorption of PFOS and PFOA on montmorillonite is primarily governed by electrostatic interactions between their oxygenated and sulfonate functional groups and the negatively charged clay surfaces. In contrast, adsorption on PE and PP is dominated by van der Waals interactions with the PFAS fluorocarbon tails. The overall adsorption affinity follows the trend: montmorillonite > PP > PE, consistent with calculated interaction energies and mean squared displacement analyses. Additionally, the molecular structure of PFAS, specifically chain length and functional group composition, was found to significantly influence adsorption dynamics. These insights enhance the mechanistic understanding of PFAS retention and mobility in geomaterials, providing a foundation for improved modeling and risk assessment of contaminant transport in geotechnical systems.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107461"},"PeriodicalIF":5.3,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557603","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"SANICLAY-RD: A model for rate-dependent effects under complex loading paths","authors":"Pengjia Song, Giuseppe Buscarnera","doi":"10.1016/j.compgeo.2025.107457","DOIUrl":"10.1016/j.compgeo.2025.107457","url":null,"abstract":"<div><div>The rate-dependent behaviours of clay, including creep, stress relaxation, and strain-rate dependency, play a critical role in predicting soil behaviour. However, existing constitutive models exhibit limitations in capturing these effects under complex stress paths, such as those resulting from loading-unloading cycles. Moreover, existing soil models are not yet equipped to reproduce transitions from stable creep to delayed failure. This study addresses these shortcomings by proposing four enhancements of the SANICLAY constitutive framework, here referred to as SANICLAY-RD. First, the projection center is allowed to evolve with the viscoplastic strain in a way that reflects the available evidence for delayed deformation. Second, an evolution law for the static loading surface quantifying the overstress at the core of the viscoplastic deformation kinetics is proposed. Third, a hybrid flow rule is used to adjust the viscoplastic flow during complex loading cycles by considering contributions from both the actual and the image stress states. Finally, the viscous constants are allowed to evolve dynamically with the stress state to capture accelerating creep. Validation against existing experimental results demonstrates the capability of the model to replicate the rate-dependent behaviour of clays subjected to a wide range of past stress histories and complex loading cycles. Additionally, the model is shown to effectively captures the transition from stable (i.e., primary) creep to unstable (i.e., tertiary) creep. This model provides a robust tool for predicting the long-term behaviour of soils in geotechnical applications, such as the stability of slow-moving landslides, as well as the long-term settlement of earthen infrastructures.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107457"},"PeriodicalIF":5.3,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Microscopic modeling of particle suffusion in dam filter layers using CFD-DEM","authors":"Meiting Xian, Bin Chen, Yuan Wang, Qi Dong","doi":"10.1016/j.compgeo.2025.107448","DOIUrl":"10.1016/j.compgeo.2025.107448","url":null,"abstract":"<div><div>The filter layer is a crucial component in preventing internal erosion in earth-rockfill dams. Its design typically replies on the particle size distribution of the filter material and base soil, with the ratio between them (i.e., interlayer coefficient) playing a critical role in controlling the blockage and interception process of eroding particles. To better understand how the interlayer coefficients affect subsoil erosion and the retention capacity of filter material, we simulate a reverse filtration system under varying interlayer coefficients using a novel 3D coupled computational fluid dynamics-discrete element method (CFD-DEM) that incorporates irregularly shaped particles. The numerical results indicate that: (1) A smaller interlayer coefficient more effectively inhibits base soil erosion, with the erosion process progressing through three stages: rapid erosion, slow erosion, and stability; (2) The interlayer coefficient significantly influences the transport behavior of soil particles. Interlayer coefficients above 6 weaken the retention capacity of the filter material, causing noticeable subsurface suffusion and damage to the base soil. In contrast, Coefficients below 4 result in the accumulation of fine soil particles at the interface, forming a weakly permeable layer resembling a “filter cake”. A new filter layer design criterion is proposed based on the numerical tests above and is validated through experimental results from the literature. This study provides valuable insights into the microscopic characteristics and suffusion mechanisms of the base soil-filter system, offering practical guidance for the design of filtration systems.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107448"},"PeriodicalIF":5.3,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144548921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhengding Deng, Shunyuan Liu, Junhao Wei, Zhaoqin Jiang, Qiang Hu
{"title":"Deformation characteristics and fracture damage model of freezing weakly cemented jointed rock masses","authors":"Zhengding Deng, Shunyuan Liu, Junhao Wei, Zhaoqin Jiang, Qiang Hu","doi":"10.1016/j.compgeo.2025.107463","DOIUrl":"10.1016/j.compgeo.2025.107463","url":null,"abstract":"<div><div>In the frozen state, rock masses characterized by weak cementation and nodular joints exhibit the effects of ice infill, frost-heave reinforcement, and frost-heave-induced damage. Consequently, the deformation modulus and fracture toughness of these rock masses are influenced by the frozen temperature, ultimately modifying the propagation process of fractures within structural planes. Considering the unfrozen rock mass as a composite consisting of soft material arising from compressible pores and hard material constituted by the rock skeleton, the entire deformation process of the frozen rock mass is categorized into a compaction stage and a post-compaction stage. Constitutive relationship equations are formulated separately for the compaction component and the skeletal component. Taking into account the reinforcing effect of low-temperature environments on the mechanical properties of rock mass, as well as the frost-heave damage effect, methods for calculating frozen negative damage, frost-heave damage, and wing crack damage variables have been developed. Based on these methodologies, a macro–micro damage model for the skeletal part of the rock mass has been established. The rationality of this model has been verified through loading tests on frozen jointed rock mass. Furthermore, the model has been employed to explore the influence rules of frozen temperature, rock mass properties, and joint inclination angles on the mechanical properties of rock mass. The research findings indicate that the freezing temperature significantly affects both the compaction and elastic phases of the rock mass, and the compressive strength increases correspondingly as the freezing temperature decreases. The total mesoscopic damage due to loading diminishes with decreasing frozen temperature, indicating that the rock mass becomes more brittle at lower temperatures. A higher initial tensile strength is associated with greater overall rock mass strength, accompanied by lesser wing crack damage and frost heave damage. The influence of joint inclination on the mechanical properties of frozen rock is more pronounced.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107463"},"PeriodicalIF":5.3,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Numerical assessment of negative skin friction on pile groups in soft ground","authors":"Rui Liang , Zhen-Yu Yin , Pei-Chen Wu , Ze-Jian Chen , Jian-Hua Yin","doi":"10.1016/j.compgeo.2025.107450","DOIUrl":"10.1016/j.compgeo.2025.107450","url":null,"abstract":"<div><div>The mobilization of negative skin friction (NSF) imposes a detrimental load, known as dragload, on piles by reducing their axial bearing capacity and inducing additional settlement. The adoption of sacrificial piles arranged in a group configuration can reduce this dragload. However, the understanding of NSF mobilization in pile groups, particularly in the context of soft soil creep, remains limited. This paper successfully implements an elastic viscoplastic model with a cutting plane algorithm into a finite element package. Numerical investigations, validated through centrifuge tests, are conducted to examine the effect of sacrificial piles on the dragload reduction in the center pile (termed as group effect) at varying pile spacings. A parametric investigation is conducted to quantify the group effect under different variables, including pile spacing, end-bearing soil stiffness and creep coefficient. Results reveal that beyond the spacing of 7 <em>d</em>, where <em>d</em> is the diameter of sacrificial piles, the group effect can be neglected. Furthermore, the group effect is highly dependent on the site-specific creep behavior, becoming less significant under high creep conditions. The reduction in effective stress of soil within a pile group is identified as the primary cause of the NSF pile group effect.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107450"},"PeriodicalIF":5.3,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhengzheng Wang , Qingfei Luo , Jingru An , Bingda Wang
{"title":"Stochastic seismic responses and seismic reliability assessment of the immersed tunnel considering the coupling effect of water-soil","authors":"Zhengzheng Wang , Qingfei Luo , Jingru An , Bingda Wang","doi":"10.1016/j.compgeo.2025.107466","DOIUrl":"10.1016/j.compgeo.2025.107466","url":null,"abstract":"<div><div>The seismic response of the immersed tunnel is very complex and involves the coupling effect of water-soil. However, the existing research predominantly employs one or a few typical ground motions as loading inputs, disregarding the non-stationary nature of earthquakes. Moreover, the influence of the water is commonly overlooked. To address these gaps, this study proposes a stochastic seismic response analysis framework by integrating the probability density evolution method (PDEM) with the coupled acoustic-structural method (CASM). Firstly, non-stationary ground motions are generated based on the evolutionary power spectrum and random function theory to reflect realistic site conditions. Then, the CASM is employed to simulate the seismic response of immersed tunnels considering the coupling effect of water-soil, validated by model tests. Subsequently, Python-based secondary development enables efficient data processing, and the PDEM is used to obtain the structural stochastic seismic response considering the coupling effect of water-soil. Finally, the seismic reliability of immersed tunnels is assessed using the equivalent extreme-value events theory. The findings indicate that under 0.2 g non-stationary ground motions, water exhibits certain damping effects, which help reduce the structural seismic response. Additionally, the plastic strain of the immersed tunnel experienced three stages: the elastic stage, the elastic–plastic stage, and the plastic stage. Moreover, the structure experiences brittle damage under ground motion. This framework provides a practical and robust tool for evaluating the probabilistic seismic behavior of immersed tunnels, offering more comprehensive and representative insights for seismic design and risk assessment.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107466"},"PeriodicalIF":5.3,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144548438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Toward more-robust, AI-enabled subsurface seismic imaging for geotechnical applications","authors":"Joseph P. Vantassel, Sanish Bhochhibhoya","doi":"10.1016/j.compgeo.2025.107443","DOIUrl":"10.1016/j.compgeo.2025.107443","url":null,"abstract":"<div><div>Non-invasive seismic imaging has the potential to cost-effectively evaluate large volumes of subsurface material to inform geotechnical site investigation. However, seismic imaging using full waveform inversion (FWI) requires significant computational time and is dependent on an initial starting model. As a result, FWI has not yet been widely adopted into geotechnical practice. Previous efforts, on relatively simple two-layered models, indicate that data-driven artificial intelligence (AI) models may be as effective as FWI at predicting 2D images of shear wave velocity (<span><math><msub><mi>V</mi><mi>s</mi></msub></math></span>). Furthermore, the AI model predictions can be made almost instantaneously after data acquisition and do not require an initial starting model. We examine the generality of these findings by developing a new AI model for subsurface seismic imaging, whereby we make several notable contributions. First, we architect a multimodal AI model that combines time- and frequency-domain representations of the seismic wavefield to predict a 50 m by 20 m subsurface image of <span><math><msub><mi>V</mi><mi>s</mi></msub></math></span>. Second, we developed a new diverse dataset of 100,000 <span><math><msub><mi>V</mi><mi>s</mi></msub></math></span> images with their corresponding seismic wavefields to train the AI model. Third, we propose four physics-informed data augmentations for data-driven seismic imaging. Fourth, we develop two prediction consistency tests to evaluate the model’s performance when the true subsurface is unknown. Our final model, which has been made publicly available, is capable of predicting a subsurface <span><math><msub><mi>V</mi><mi>s</mi></msub></math></span> image from a single seismic wavefield with an average, mean absolute percent error (MAPE) of 24 %. The predictive model is applied to a field dataset and shown to be consistent with local geology and shear-wave refraction measurements from the same location.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107443"},"PeriodicalIF":5.3,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144518419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Numerical modeling of gas flow and solid deformation in unconventional anisotropic shale","authors":"Qi Zhang , Xia Yan , Xinyu Wang","doi":"10.1016/j.compgeo.2025.107441","DOIUrl":"10.1016/j.compgeo.2025.107441","url":null,"abstract":"<div><div>Since coupled flow and solid deformation were introduced into shale gas reservoir simulations, the geomechanical effects on gas production have become a frequently studied topic. While numerous studies suggest that geomechanical effects tend to reduce cumulative gas production, an apparent contradiction arises when considering that elastoplastic deformation could cause additional pore compaction during production, compared to a rigid porous matrix. Specifically, assuming identical initial and final gas pressures, an isothermal process, and ideal gas behavior, such additional compaction should theoretically enhance ultimate gas production. Furthermore, widely used shale gas reservoir simulation approaches have limitations in simultaneously modeling mechanical anisotropy and elastoplastic deformation. To address these contradictions and challenges, this work develops an in-house simulator based on a rigorous mixed <span><math><mrow><mi>u</mi><mo>/</mo><mi>p</mi></mrow></math></span> formulation coupled with a one-dimensional finite element discretization of the fracture gas flow equation, which has been validated rigorously and demonstrates satisfactory performance. A main improvement lies in the incorporation of a compressible gas in the pores rather than a slightly compressible fluid such as water, together with the associated numerical ramifications. Numerical simulations performed on intact shale samples and field-scale fractured shale reservoirs not only address the contradictions mentioned above but also uncover an unreported trend in the plastic strain distribution during gas production associated with different bedding plane orientations. The impact of the fluid type is also highlighted.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107441"},"PeriodicalIF":5.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144514417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Physics-informed deep learning and analytical patterns for predicting deformations of existing tunnels induced by new tunnelling","authors":"Qipeng Cai , Khalid Elbaz , Xiangyu Guo , Xuanming Ding","doi":"10.1016/j.compgeo.2025.107451","DOIUrl":"10.1016/j.compgeo.2025.107451","url":null,"abstract":"<div><div>Investigating the response of soil and existing tunnels to new undercrossing tunnelling is important for ensuring the serviceability of existing structures. Existing methods, such as analytical models or data-driven approaches, struggle to accurately simulate tunnel mechanisms and predict soil deformations. Integrating these two methods provides a promising solution for practical applications. This study proposes an analytical-physics-informed neural network (API-NN) enhanced with transfer learning and uncertainty quantification for a real-time prediction of existing tunnel deformations induced by new tunnelling. The proposed approach leverages analytical patterns by exploiting physical perspectives into data-driven networks and merging them with transfer learning to solve the forward and inverse problems of soil-tunnel interactions, particularly with sparse datasets. Two scenarios, a practical project in Xiamen City and a 3D finite element method, were applied to validate the proposed approach. Results revealed that the API-NN approach successfully incorporates both physical patterns and data-driven networks, achieving real-time forecasting of existing tunnel deformation. The proposed approach maintains its computational precision even when dealing with noisy data. Compared to the existing physics-informed method, the proposed approach realized a 13.9% reduction in mean absolute error, demonstrating higher forecasting precision that is essential for tunnel applications.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107451"},"PeriodicalIF":5.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144514416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wenyu Zhuang , Qingchao Lyu , Yaoru Liu , Zhiyong Pang , Kai Zhang , Shaokang Hou , Qiang Yang
{"title":"Multi-slip surfaces extraction method for slopes based on energy dissipation rate index","authors":"Wenyu Zhuang , Qingchao Lyu , Yaoru Liu , Zhiyong Pang , Kai Zhang , Shaokang Hou , Qiang Yang","doi":"10.1016/j.compgeo.2025.107460","DOIUrl":"10.1016/j.compgeo.2025.107460","url":null,"abstract":"<div><div>Accurate identification of multi-slip surfaces in complex slope failure modes is essential for risk assessment and reinforcement design. In this study, a multi-slip surfaces extraction method based on energy dissipation rate (EDR) index is proposed. Firstly, the elasto-viscoplastic damage model is employed to simulate slope failure procedure. Then, a ridge-finding technique is applied to the EDR field to generate a feature point set, which is subsequently denoised through convex hull check and statistical threshold. Additionally, density-based spatial clustering of applications with noise (DBSCAN) is adopted for the initial clustering of feature points, followed by multi-model fitting via random sample consensus (RANSAC). The proposed method is validated based on a homogeneous slope and an undrained clay slope with a thin weak layer. Moreover, it is applied to a practical reservoir bank slope to analyze the spatial distribution of multi-slip surfaces and stability evolution during impoundment. The results indicate that, under complex stress conditions, EDR offers distinct advantages over traditional indices such as displacement and shear strain increment. The analyzed reservoir bank slope exhibits a potential risk of overall instability along the inherent surface of rupture, alongside several local instability modes. The developed approach provides a novel strategy for automated identification of multi-slip surfaces, significantly reducing manual intervention.</div></div>","PeriodicalId":55217,"journal":{"name":"Computers and Geotechnics","volume":"187 ","pages":"Article 107460"},"PeriodicalIF":5.3,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144514418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}