堆石料三维边界面模型在FLAC3D中的开发与验证

堆石料三维边界面模型结合了统一非线性强度准则,可以反映三维应力空间堆石料的应变硬化、软化以及体积收缩和剪胀等传统本构模型难以反映的力学特性。基于三维边界面模型的基本理论,通过FLAC3D提供的二次开发平台,在VC++环境下实现了三维边界面本构模型的二次开发,并给出基于FLAC3D程序的边界面本构模型开发的关键步骤、编程要点和调试方法。利用开发的本构模型,开展了三轴压缩试验的数值模拟计算,并与理论值进行了对比分析。结果表明,嵌入在FLAC3D中的三维边界面本构模型能够较好地反映设定试验条件下的材料性能,而且三维边界面本构模型模型参数简单,都可从常规三轴试验获得,从而验证了三维边界面模型二次开发程序的优越性与合理性。     

边界面模型在FLAC3D中的开发及验证

利用FLAC3D程序提供的二次开发平台UDM在VC++编译环境下实现了一基于修正剑桥模型的简化边界面模型的开发。介绍了边界面模型的基本原理,并给出了开发关键技术和具体实施方法。通过三轴加卸载试验、不排水静三轴试验、不排水动三轴试验等几种数值试验与修正剑桥模型进行了对比研究。计算结果验证了所开发的边界面模型的正确性及相对修正剑桥模型的优越性。     

考虑颗粒破碎引起级配演变的道砟边界面本构模型

道砟即使在低围压下也会产生颗粒破碎,从而改变其原始级配。级配作为道砟的一个重要物理特性,显著地影响着道砟本身物理、力学特性。建立可以反映颗粒破碎引起级配演变的本构模型至关重要。基于Einav的分形破碎指标和土体边界面塑性理论,通过分析道砟三轴试验结果,尝试建立了低围压下可以反映颗粒破碎引起级配演变的道砟边界面本构模型。与试验结果对比发现:模型可以较好地反映道砟在低围压下的应力-应变特性;同时,可以对加载过程中颗粒破碎引起的级配演变进行合理的预测。     

基于分数阶微积分的粗粒料静动力边界面本构模型

分数阶微分理论在土体静力黏弹性本构模型中得到了广泛应用,然而,其在动力弹塑性模型中的应用尚不多见。为此,基于分数阶微积分理论分析了粗粒料在循环荷载下的变形特性,提出了粗粒料在循环荷载下的分数阶应变率;并以此为基础,进一步建立了粗粒料受静动力荷载作用下的边界面塑性力学本构模型。所提出模型包含10个参数,均可以运用常规三轴试验获得。为了验证所提出模型,选取了几种已有不同文献中的不同粗粒料试验数据进行了模拟,发现,所提出的模型可以较好地模拟粗粒料在静动力加载下的应力-应变行为,对于循环荷载下的长期变形也能较好地预测。     

土体小应变特性研究中的边界面模型

研究表明，土体小应变特性对准确预测土体的变形起着十分重要的作用，而这一特性很难用传统的本构模型对它加以描述。边界面模型能描述一些经典塑性理论所不能描述的土的真实特性，如何将之进一步加以改进，并有效地应用于土体小应变特性的模拟中是一个有待深入研究的课题。     

土的边界面本构模型研究进展

简述了土的边界面本构模型国内外研究状况，阐述了其基本思想。对边界面模型作了简要评述，提出了边界面模型研究的发展趋向。     

循环荷载作用下黏土改进边界面模型

为克服边界面模型应用不便、不能反映卸载过程中土体的弹塑性性质的缺陷,提出了一个循环荷载作用下可考虑弹塑性加、卸载过程的重塑黏土改进边界面模型。模型采用了简单的边界面形式,可大大简化该模型理论的推导与计算;采取了不预先定义边界面大小的方式,有效地降低了改进边界面模型在应用过程中的经验性;加入边界面胀缩规则,使模型可考虑土样卸载过程中的弹塑性性质,进而可反映土样的滞回特性。通过对重塑黏土进行循环三轴数值模拟试验,并与真实试验结果进行对比分析,验证了改进边界面模型的合理性和有效性。数值验证结果表明,改进边界面模型具有物理意义明确、参数易于确定、形式相对简单的特点,且该模型计算精度较高,计算结果与试验结果吻合得较好。     

砂土液化大变形模型在FLAC3D中的开发与应用

通过FLAC3D二次开发平台,在VC++环境下实现了基于砂土液化大变形机制的变动映射中心边界面弹塑性模型的二次开发。基于饱和砂土液化大变形本构理论,该模型符合三维应力空间边界面映射规则,并引入临界状态变量,可实现对不同密度和围压状态下砂土液化大变形分析。针对FLAC3D程序混合离散技术与数据调用模式和模型的体积相容性条件,测试分析了将模型采用不同植入方案的计算稳定性,开发了在FLAC3D混合离散技术下不同子区共享映射中心,进入与离开液化状态保持同步的开发方案,并给出模型开发的关键技术与实施方法。利用开发的模型,对饱和砂土开展了不排水/排水/循环三轴试验与不排水循环扭剪试验模拟,及三维地基的动力反应分析。计算结果表明,模型及所开发程序具有很好的模拟与分析砂土液化后大变形的能力。     

地下工程锚固界面力学模型及其时效性研究

地下工程锚固体接触界面的流变力学特性是锚固体产生时效性的重要因素。针对地下工程长期稳定性分析中常采用的锚固界面法向硬接触和切向黏结滑移突变常导致计算不收敛的困惑,建立了锚固界面法向刚度服从指数分布的软接触型式,并提出剪切面的非线性流变本构模型,解决了计算难以收敛的问题。该模型考虑了法向应力对剪切流变的影响,可以更真实地反映锚固界面流变的力学过程。将建立的锚固界面力学模型植入ABAQUS软件,并应用于地下工程的锚固时效性分析。研究成果表明：地下工程锚固界面产生的剪切流变导致锚杆应力增大,并使得预应力锚杆峰值的位置随着时间发生变化,且有向锚根转移的趋势。研究成果可为地下工程锚固的可靠性分析提供理论依据。     

土体各向异性边界面模型隐式算法在ABAQUS软件中的实现

基于Wheeler土体各向异性旋转硬化法则,结合边界面理论,构造一个能够反映土体初始各向异性及加载后应力诱发各向异性的边界面本构模型,并借助ABAQUS软件提供的UMAT子程序接口,采用隐式积分算法--图形返回算法实现。通过对正常固结状态下（OCR=1）高岭土试样三轴不排水剪切试验进行模拟,并将模拟结果与ABAQUS自带的修正剑桥模型模拟结果进行了比较分析,表明本模型的模拟结果能够反映土体在偏压加载过程中产生的各向异性现象。在此基础上,采用本模型对中等超固结（OCR=4）高岭土试样三轴不排水剪切试验进行模拟,并再次与ABAQUS自带的修正剑桥模型模拟结果进行比较,表明本模型能够较好地反映中等超固结土在小应变情况下的非线性特性。相比于经典弹塑性模型,如修正剑桥模型,本模型的模拟结果更符合中等超固结土的变形特性。     

边界面模型在MARC中的开发实现及应用

介绍了一个简化的边界面动本构模型及其在通用有限元软件MARC中开发实现的技术。通过对循环单剪试验的模拟验证了程序的可靠性和模型的表现。基于所添加的边界面模型,对一均质场地进行了非线性动力反应分析,并和等效线性动力反应分析的结果进行了对比,表明了模型和分析方法的有效性。最后以一理想土坝为例说明了用所添加的本构模型进行土石坝非线性动力反应分析的方法,并给出了相应的结果。     

Implementation of a general constitutive model for geological materials

A generalized constitutive model is described with particular attention to determination of material constants, and its implementation. The model involves use of only a single function to characterize the complete range of plastic yielding, and employs a special function to describe plastic hardening. Laboratory behaviour of an artificial soil is used to iliustrate the determination of the constants and verification of the model.     

分级单屈服面模型在ABAQUS中的实现及验证

基于ABAQUS软件提供的二次开发平台,开发了土体分级单屈服面弹塑性本构模型的子程序,并完成了2个典型的算例。计算结果与Desai计算结果及模型试验实测结果进行了对比,检验了模型的正确性。给出了在ABAQUS中开发弹塑性本构模型的基本步骤和编程要点,可为其他用户进行本构模型的修改提供借鉴与参考。模型的成功开发可为建筑结构的地基基础有限元分析提供一种适用的本构模型     

基于数字表面模型的岩体结构面产状获取

针对传统现场接触式测量获取岩体结构面参数效率低、工作量大、结果精确性受人为因素影响等问题,本文结合数字摄影测量技术与运动法（structure from motion,SFM）进行岩体三维数字表面模型重建,并在此基础上建立了岩体结构面自动识别方法。岩体数字表面模型重建步骤主要为岩体影像资料采集,基于尺度不变特征变换（Scale-Invariant Feature Transform,SIFT）算法进行图像特征匹配、稀疏点云构建、点云稠密化以及岩体曲面模型重构。结构面识别方法流程主要为:首先平滑岩体数字表面模型;通过改变搜索半径和角度阈值实现模型平面分割;基于区域生长原理进行结构面搜索;最后基于随机采样一致性拟合结构面得到结构面产状。将该方法应用于甘肃北山地下实验巷道,实现了巷道三维数字表面模型的重建与结构面产状数据获取,最后将识别到的结构面分组表征在模型表面。与人工实地测量方法以及现有的结构面识别软件相比,本文提出的方法具有良好的准确性,可为工程应用提供一定的参考。     

面向边界面模型的切面算法扩展

保持经典弹塑性本构模型切面算法简单高效的框架,并将其进行扩展,使之适用于边界面类模型的隐式数值计算;通过在算法中引入了确定最大容许步长概念,提出了基于自适应子步迭代的改进切面算法。以一个新改进的结构性黏土边界面模型为例,应用切面算法对其进行了数值实现,并对上海黏土室内试验进行了模拟,验证了切面算法的有效性。然后,通过应用上海黏土参数对在不同固结度下的不排水三轴剪切试验、不排水单剪试验以及不排水三轴循环加载试验和一维压缩试验进行数值计算,初步确定了切面算法的最大容许步长。最后,应用改进切面算法模拟了大步长情况下的不排水单剪试验,验证了所提出的改进算法的计算精度和稳定性。     

The variogram method for a fractal model of a rock joint surface

The variogram method can be used to make a fractal model of a rock joint surface. However, it has been found that the range of lag satisfying the power law is very small, that is, less than about 10% of the profile length. The cause of this has been investigated mathematically. The main cause of this problem is due to the fact that the profile length is assumed infinite for the theory, but it is finite for the actual calculation. This discrepancy between the actual calculation and the theory yields a significant error and causes the problem when the lag is large. To confirm the validity of this conclusion, it has been demonstrated that the range of lag satisfying the power law increases with an increase in the profile length by applying the variogram method to profiles cut from a long profile. In addition, the range of lag was investigated mathematically and it has been clarified that the range of lag increases with an increase in the fractal dimension. These results suggest that the profile length, the sampling interval and the removal of the linear trend are items to which we must pay attention when we use the variogram method.     

Toward a conceptual model of the calcite surface: hydration,hydrolysis, and surface potential

Because of a recent increase in interest in the properties of the calcite surface, there has also been an increase in activity toward development of mathematical models to describe calcite’s surface behaviour, particularly with respect to adsorption and precipitation. For a mathematical model to be realistic, it must be based on a sound conceptual model of atomic structure at the interface. New observations from high resolution techniques have been combined with previously published data to resolve the apparent conflict with results from electrokinetic studies and to present a picture of what the calcite surface probably looks like at the atomic scale.In ultra-high vacuum (10⁻¹⁰ mbar), a cleaved surface remains unreacted for at least an hour, but the unreacted surface does not remain as a termination of the bulk structure. X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED), and atomic force microscopy (AFM) show that the outer-most atomic layer relaxes and the surface slightly restructures. In air, dangling bonds are satisfied by hydrolysed water. XPS and time-of-flight secondary ion mass spectrometry (TOF-SIMS) reveal the presence of adsorbed OH and H. In AFM images, the features so typical of calcite, namely, alternate-row offset, pairing and height difference, as well as the consistent dependence of these features on the force and direction of tip scanning, are best explained by OH filling of the vacant O sites created during cleavage on the Ca octahedra. Thus there is solid evidence to indicate the presence of OH and H chemi-sorbed at the termination of the bulk calcite structure.Wet chemical studies, however, show that calcite’s pH_pzc (zero point of charge) varies with sample history and solution composition. Electrophoretic mobility measurements indicate that the potential-determining ions are not H⁺ and OH⁻, but rather Ca²⁺ and CO₃²⁻ (or HCO₃⁻ or H₂CO₃⁰). This apparent conflict is resolved by a slight modification of the electrical double layer (EDL) model. At the bulk termination, hydrolysis species are chemi-bonded. At the Stern layer, adsorption attaches Ca²⁺ and CO₃²⁻ (or other carbonate species), but the hydrolysis layer keeps them in outer-sphere coordination to the surface. With dehydration, loss of the hydrolysis species results in direct contact between adsorbed ions and the bulk termination, therefore, inner-sphere sorption is equivalent to extension of the three dimensional bulk network, which is precipitation. Attachment of ions with size and charge compatible with Ca and CO₃ likewise results in coprecipitation and solid–solution formation.     

Implementation algorithm for a single hardening constitutive model for frictional materials

An advanced elasto‐plastic constitutive model for frictional materials, whose incremental version is presented in a companion paper (Int. J. Numer. Anal. Meth. Geomech., 2002; 26 :647), is implemented in a user‐defined material module. The general calculation strategy inside this module is presented and discussed, including the initial intersection of the yield surface and the techniques for updating of stresses and hardening modulus. Several integration schemes are implemented in the module and their capabilities in relation to the advanced, three‐dimensional constitutive model are evaluated. The forward Euler, modified Euler, and Runge–Kutta–Dormand–Prince integration schemes are explained in detail, compared, and evaluated in view of error tolerances and computational efficiency. Copyright © 2002 John Wiley & Sons, Ltd.     

Acid-base properties of a goethite surface model: A theoretical view

Density functional theory is used to compute the effect of protonation, deprotonation, and dehydroxylation of different reactive sites of a goethite surface modeled as a cluster containing six iron atoms constructed from a slab model of the (1 1 0) goethite surface. Solvent effects were treated at two different levels: (i) by inclusion of up to six water molecules explicitly into the quantum chemical calculation and (ii) by using additionally a continuum solvation model for the long-range interactions. Systematic studies were made in order to test the limit of the fully hydrated cluster surfaces by a monomolecular water layer. The main finding is that from the three different types of surface hydroxyl groups (hydroxo, μ-hydroxo, and μ₃-hydroxo), the hydroxo group is most active for protonation whereas μ- and μ₃-hydroxo sites undergo deprotonation more easily. Proton affinity constants (pK_a values) were computed from appropriate protonation/deprotonation reactions for all sites investigated and compared to results obtained from the multisite complexation model (MUSIC). The approach used was validated for the consecutive deprotonation reactions of the [Fe(H₂O)₆]³⁺ complex in solution and good agreement between calculated and experimental pK_a values was found. The computed pK_a for all sites of the modeled goethite surface were used in the prediction of the pristine point of zero charge, pH_PPZN. The obtained value of 9.1 fits well with published experimental values of 7.0-9.5.     

COMSOL平台在城市地下多种资源相互影响分析中的应用

针对系统动力学方法在地下资源相互影响问题分析中存在的不足,引入了多孔介质多场耦合理论,以地下水源热泵形式浅层地热能资源开发的假想模型为例,运用COMSOL平台建立了温度场-渗流场-应力场耦合的数值模型,对比了地下水源热泵运行前后和对调抽/回灌井前后区域地下渗流场、地温场和应力场的变化情况。结果表明：地下水源热泵运行前后抽水井和回灌井周边的渗流场发生了显著改变,10 a之后抽水井的水温由初始的约21℃下降至约17℃,并呈现出继续下降的趋势,区域地面沉降量达2 m左右;对调抽/回灌井后,抽水井温度的下降幅度由之前的4.0℃变为不到0.5℃。COMSOL平台在地下多种资源相互影响分析及其优化利用方面展示出良好的应用潜力。