Academic literature on the topic 'Clay modelling'

Several aspects of the ground response to tunnel excavation in deep clay formations have been studied. Such strata may be only lightly overconsolidated and an unsupported tunnel could have a high stability ratio. Consequently, at large depths there may be construcz ion difficulties similar to those encountered in soft ground at shallow depths. Problems which may be encountered are squeezing ground, i.e. a continually increasing volume loss with time, and possible collapse after a 'stand-up' time. A range of parameters likely to influence the time dependent deformation behaviour at an unsupported tunnel face was investigated in a number of small scale model tunnel tests. The tests were performed in large cylindrical samples of kaolin clay under axisymmetric conditions, with measurement of tunnel face displacement and pore pressure changes in the clay. After removal of the tunnel face support, soil intruded into the tunnel at a rate which gradually increased with time until a constant rate was reached. The steadily increasing deformation was frequently associated with increasing pore pressures close to the tunnel face as water flow occurred towards the tunnel face due to the changed boundary conditions. Two parameters, the initial pore pressure in the soil and the initial load factor, were shown to have a major influence on the time dependent behaviour, and were incorporated into a new deformation time factor. Initial undrained pore pressure changes caused by the removal of tunnel face support have been compared with simplified closed form solutions for the thick cylinder and thick sphere analogue. As a result two zones were identified at the tunnel face, in which either approximately cylindrical or spherical behaviour was observed. The small scale tests were modelled numerically using the finite element program CRISP. Elasto-plastic soil behaviour and consolidation were included in the analyses. Although the predictions were affected by the complex geometry and boundary conditions of the model tests, the mechanics of the time dependent deformations were demonstrated. Deformations at the tunnel face were poorly predicted and pore pressure changes were confined to smaller zones than in the model tests. However, comparisons of the finite element predictions and the closed form solutions for the plastic zone were more favourable. Longe term pore pressure predictions showed only limited agreement with the experimental behaviour. For both the model tunnel and thick cylinder, CRISP predicted localized zones of softened soil close to the unsupported boundary which developed over a very short time period. The rapid local drainage implies that time dependent movements will be observed which are governed by changes in pore pressure and water flow.

In this thesis, bio-nanocomposites made from two alternative biopolymers and montmorillonite (Mnt) clay have been investigated by molecular modelling. These biopolymers are xyloglucan (XG) and chitosan (CHS), both of which are abundant, renewable, and cost-effective. After being reinforced by Mnt clay nanoparticles, the polymer nanocomposites gains in multifunctionality and in the possibility to register unique combinations of properties, like mechanical, biodegradable, electrical, thermal and gas barrier properties. I apply molecular dynamics (MD) simulations to study the interfacial mechanisms of the adhesion of these biopolymers to the Mnt nanoplatelets at an atomic level. For the XG-Mnt system, a strong binding affinity of XG to a fully hydrated Mnt interface was demonstrated. It was concluded that the dominant driving force for the interfacing is the enthalpy, i.e. the potential energy of the XG-Mnt interacting system. The adsorbed XG favors a flat conformation with a galactose residue in its side chain that facilitates the adsorption of the polymer to the nanoclay.  The XG adsorption was found do depend strongly on the hydration ability of counterions. The binding affinity of XG to Mnt was found to be strongest in the K-Mnt/XG system, followed by, in decreasing order, Na-Mnt/XG, Li-Mnt/XG, and Ca-Mnt/XG. The competing mechanism between ions, water and the XG in the interlayer region was shown to play an important role. The dimensional stability upon moisture exposure, i.e. the ability of a material to resist swelling, is an important parameter for biopolymer-clay nanocomposites. While pure clay swells significantly even at low hydration levels, it is here shown that for the XG-Mnt system, at a hydration level below 50%, the inter-lamellar spacing is well preserved, suggesting a stable material performance. However, at higher hydration levels, the XG-Mnt composite was found to exhibit swelling at the same rate as the pure hydrated Mnt clay. For the CHS-Mnt system, the significant electrostatic interactions from the direct charge-charge attraction between the polymer and the Mnt clay play a key role in the composite formation. Varying the degree of acetylation (DA) and the degree of protonation (DPr) resulted in different effects on the polymer-clay interaction. For the heavily acetylated CHS (DA &gt; 50%, also known as chitin), the strong adhesion of the neutral chitin to the Mnt clay was attributed to strong correlation between the acetyl functional groups and the counterions which act as an electrostatic “glue”. Similarly, the poor adhesion of the fully deprotonated (DPr = 0%) neutral CHS to the clay is attributed to a weak correlation between the amino functional group and the counterions. The stress-strain behavior of the CHS-Mnt composite shows that the mechanical properties are highly affected by the volume fraction of the Mnt clay and the degree of exfoliation of the composite. The material structure has a close relationship to the material properties. Biopolymer-clay nanocomposites hold a bright future to replace petroleum-derived polymer plastics and will become widely used in common life. The theme of the thesis is that further critical improvements of these materials can be accomplished by development of the experimental methods in conjunction with increased understanding of the interactions between polymer, clay, water, ions, solutions in the polymer-clay mixtures provided by molecular modelling.<br>I denna avhandling har molekylär modellering och molekyldynamisk (MD) simulering använts för att studera modellsystem för bio-nanokompositer bestående av montmorillonit-lera samt två olika sorters biopolymerer – xyloglukan (XG) och kitosan (CHS). Båda dessa polymerer är naturligt förekommande och mycket vanliga. De är dessutom förnyelsebara och kostnadseffektiva. Då polymererna förstärkts med nanopartiklar av montmorillonit får det resulterande kompositmaterialet en unik kombination av egenskaper såsom mekaniska, elektriska, termiska och barriär egenskaper etc. Genom att använda molekyldynamiska (MD) simuleringar, studeras här växelverkan mellan dessa biopolymerer och lernanopartiklar (Mnt) på grundläggande atomistisk detaljnivå. Mellan XG och Mnt i ett fullt hydrerat system kunde stark bindningsaffinitet påvisas. Den dominerande drivkraften för affiniteten var entalpi, d.v.s. potentiell växelverkansenergi. Den adsorberade XG-kedjan antar en platt konformation på ytan. Ett förslag utifrån simuleringsresultaten var att galaktosresidyn i xyloglukanets sidokedja underlättar adsorptionen till lerytan. Simuleringarna kunde också visa att adsorption av XG till Mnt beror starkt på motjonernas hydreringsförmåga. Bindningsaffiniteten mellan XG och Mnt var som starkast i K-Mnt/XG- systemet. Därefter följde, i minskande ordning, Na-Mnt/XG, Li-Mnt/XG och Ca-Mnt/XG. Det kunde visas att strukturen vid gränsytan styrs av konkurrerande mekanismer mellan joner, vatten och XG. Dimensionsstabilitet vid fuktexponering, d.v.s. förmågan hos ett material att motverka svällning, är en viktig egenskap för biopolymer-lernanokompositer. Ren lera sväller signifikant även vid låga fukthalter. Dock kunde MD simuleringar visa att ett modellsystem av XG-Mnt behåller sitt ursprungliga interlamellära avstånd vid hydreringsnivåer under 50%, vilket indikerar ett stabilare material. Vid högre hydrering uppmättes dock svällningen vara densamma som för ren lera. I CHS-Mnt-systemet visade det sig att direkt elektrostatisk växelverkan med signifikant styrka mellan laddningar på polymer och Mnt-yta spelar störst roll för kompositformeringen. Olika effekt på polymer-lerväxelverkan uppnåddes genom att variera acetyleringsgraden (DA) respektive protoneringsgraden (DPr). För den tungt acetylerade CHS-polymeren (DA &gt; 50%, även kallad kitin) visade sig den starka vidhäftningen bero på korrelation mellan acetylgrupperna och motjonerna som i sin tur verkade som ett elektrostatiskt “lim”. På liknande sätt kunde den svaga vidhäftningen mellan fullt deprotonerad (DPr = 0%) neutral CHS och lera förklaras med en betydligt svagare korrelation mellan aminogrupperna och motjonerna. Spänning-töjningsbeteendet hos CHS-Mnt modellen visar att dess mekaniska egenskaper beror kraftigt på volymsandelen Mnt och graden av exfoliering i kompositen. Materialets struktur är nära relaterat till materialegenskaperna. Framtiden för nanokompositer av biopolymerer och lera är ljus då de kan komma att ersätta oljebaserade plaster och användas frekvent i våra dagliga liv. Materialen kommer successivt förbättras genom utveckling av experimentella metoder i kombination med molekylmodellering för ökad förståelse för växelverkan mellan polymer, lera, vatten, joner och lösningsmedel.<br>本论文利用分子动力学模拟技术研究了两种备选生物大分子与蒙脱土(Montmorillonite, Mnt)（一种粘土）组成的生物纳米复合材料，分别是木葡聚糖（Xyloglucan, XG）/蒙脱土和壳聚糖(Chitosan, CHS)/蒙脱土。木葡聚糖与壳聚糖都是自然界广泛存在的生物大分子，资源丰富且取材面宽，提取及加工成本低廉，加之可以生物降解并可再生，是优秀的生物复合材料备选原料。经过蒙脱土纳米颗粒加固后，这些基于生物大分子的复合材料将获得多功能且有多种独特特性相结合的优点，比如，更好的力学性能，生物可降解，良好的导电性能，传热性能和屏蔽气体与液体侵扰的能力等等。论文中，我们采用分子动力学模拟的方法着重对生物大分子与蒙脱土在界面上的粘附相互作用机理进行了深入探讨。  首先，对于木葡聚糖/蒙脱土纳米复合材料，我们发现糖分子与土分子间有着很强的天然亲和力。研究证明它们之间的这种相互作用，热焓是主要的推动力，也就是糖和土分子间的相互作用势能。含有半乳糖残基的木葡聚糖分子（本文中亦称天然木葡聚糖分子）吸附到粘土表面后，分子构型呈现扁平状，半乳糖残基似有辅助木葡聚糖大分子吸附到粘土颗粒上的作用。  进一步研究发现，木葡聚糖分子在粘土表面上的吸附与溶液中抗衡离子的水和作用密切相关。在钾离子平衡的糖/粘土系统中，糖分子与土分子的相互作用最强，钠离子平衡的糖/粘土系统次之，紧接着是锂离子平衡的糖/粘土系统，最弱的是钙离子平衡的糖/粘土系统。研究发现，离子，水分子，以及糖分子在粘土层间的竞争机制在糖分子的粘附过程中起着重要的作用。  材料暴露于潮湿环境中的尺寸稳定性，也就是材料抗肿胀的能力是生物大分子/蒙脱土所构成的复合材料的重要参数。蒙脱土自身即使在很低的潮湿环境下就会有明显地膨胀现象，然而，对木葡聚糖/蒙脱土复合材料来说，尺寸稳定性可以在水和值低于50%以下有效保存。其夹层尺寸的稳定保持暗示了材料在这个程度的潮湿环境下的稳定性。然而，当水和值高于50%时，木葡聚糖/蒙脱土复合材料将出现明显的肿胀现象，表现在夹层尺寸的明显增大，且其膨胀速率与粘土自身的膨胀速率逐渐趋于相当水平。  其次，对于壳聚糖/蒙脱土复合材料，我们发现由电荷-电荷间直接产生地强烈的静电吸引作用是壳聚糖分子与蒙脱土分子相互粘附并构成复合材料的关键因素。通过改变壳聚糖分子的乙酰化程度（Degree of acetylation, DA）和质子化程度(Degree of protonation, DPr)，糖分子与土分子的相互作用有着显著地不同。对于乙酰化程度（DA）高于50%的壳聚糖分子（亦成为甲壳素分子chitin, CHT），电中性的甲壳素分子与土分子间的强吸附作用源于乙酰基功能团与抗衡离子的强相关性。抗衡离子此时扮演着类似于“电子胶”的作用，可以有效地将电中性的甲壳素分子与土分子粘结在一起。类似地，当质子化程度最低时，亦即壳聚糖分子完全非质子化，即呈现电中性时，较差的糖/土吸附作用源于氨基功能团与抗衡离子的较弱的相关性。  进一步对壳聚糖/蒙脱土复合材料的分子系统进行应力应变计算发现，复合材料的力学性能直接受蒙脱土体积分数和其剥离程度的影响，通常，粘土的体积分数越大体系的力学性能越高，且剥离程度对材料的整体性能也有直接影响。因此，材料的结构与其性能的表征有着密切联系。  我们相信生物大分子与蒙脱土构成的生物复合材料有着光明的前景，可以取代石油提取物制成的塑料材料，并将能够广泛应用在日常生活中。通过实验技术的改善和应用分子模拟技术对复合材料体系中生物大分子，蒙脱土分子，水分子，离子，溶液环境等混合物质相互作用的理解增加，这种可再生的新材料将会得到重要改进，这也是整本论文的主旋律。<br><p>QC 20150520</p><br>Bio-nanocomposites

Children in their final years of primary schooling tend to emphasize the use of detail and the production of naturalistic representations, when modelling the human figure with clay. Children of this age rarely construct clay figures which are noted for their dynamic quality in terms of finish, proportion, or pose. This study examined the effect of using a "formative" modelling technique on the clay models made by 11 year old children. Involved in the study were two groups of 11 year old children. Both groups of children undertook a pre-test, a post-test, and a series of clay modelling activities similar to other activities described in most primary school art curricula. The experimental group of children were instructed in the use of a "formative" modelling technique in which children develop their clay figures from a single mass of clay and refrain from constructing the figures by a combination of separate parts. The control group received no instruction. Brown's Modified "Secondary" Characteristics Rating Scale was used to identify differences between pre- and post-test clay figures. Results suggest that the "formative" modelling technique did not induce a different approach to the modelling of finish, proportion, and pose in the clay figures made by boys and girls 11 years of age. However, there was evidence of a gender difference.

The research described in this thesis focussed on the bond resistance of grouted soil nails in clay. Physical modelling took the form of large scale element tests in the laboratory of drilled and grouted nails in a stiff clay. Nails were installed under different boundary stresses; testing was conducted at different constant rates of pull-out and also under sustained load conditions. Observed behaviour was compared with that predicted by measurements of interface shear resistance obtained in a conventional shear box. Numerical modelling was carried out in an attempt to improve understanding of the effects of installation processes on nail performance, and to investigate the trends in behaviour observed during laboratory tests. For this purpose, a one-dimensional finite element computer program was developed to include the effects of consolidation and the out-of-plane soil displacements associated with nail axial loading. The physical modelling showed that the loading rate has a significant effect on bond resistance. This has consequences for the interpretation of data from constant rate of displacement pull-out testing, the conventional method of verifying bond resistance in the field. It is suggested that this type of testing is inappropriate in low permeability soils, because capillary suctions develop which lead to increased bond resistance. Results from laboratory sustained load tests show that lower values of bond resistance are mobilised under the static load conditions more likely to exist in a real soil nailed structure. The numerical modelling confirms the behaviour observed during the laboratory tests, and shows that the mechanisms by which bond is mobilised are complex, depending critically on the dilation and consolidation characteristics of the soil. Nail installation procedures are modelled, and grout pressures are shown to strongly influence bond resistance. Interface tests show trends in behaviour similar to those observed during pull-out testing. However, difficulties exist in the qualitative use of interface test data to predict nail bond resistance.

Flow slides in sensitive clay deposits are common phenomena in Scandinavia and Canada. These flow slides have caused catastrophes to infrastructure and human life. The post-failure movements of such flow slides usually are characterized by their retrogression distances and or by the run-out distance of the slide debris. There are empirical and numerical methods used to assess the retrogression distance of slide debris. On contrary, convincing and accurate modeling techniques for run-out of sensitive clay slide debris, which is a very complex and challenging process, is yet to be developed Keeping this in view, this work presents a preliminary study to understand the run-out process in sensitive clay slide debris. An available numerical tool called DAN3D has been used to simulate the run-out process of three large flow slides occurred in Norway. In addition, back-calculation of a laboratory scale model test has been performed. A standardized calibration and adjustments on the models based on back analysis of real cases has to be done to use such models on sensitive clay debris analysis extensively. The Study shows that a very simple plastic model in DAN3D is able to estimate the run-out distance and the process.

The present work used ab initio density functional theory (DFT) to study two different physical phenomena crystallization fouling and clay-based polymer nanocomposites. In the first part, two foulant materials were studied including calcium carbonate, and calcium sulfate. The lattice energy and enthalpy of formations of each crystal system were predicted using DFT methods. The most stable forms of calcium carbonate foul ant, calcite and aragonite, were investigated. For calcium sulfate, both gypsum and anhydrite crystals were investigated. The thermodynamic solubility product of each crystal system, for both foul ants, was predicted from the lattice energy and enthalpy of formations. Comparison of the stability between the different crystal systems for the same foul ant material was carried out to elucidate the effect of crystal atomic configuration and space group on the stability of foulant materials. The effect of temperature on the formation and stability of foulant material was also carried out. The results obtained using DFT methods, for enthalpy of formation and thermodynamic solubility products, were comparable with the experimental data reported in the literature. In the second part, study has been made on the clay-based nylon 6 nanocomposite materials. The purpose was to understand the interfacial interactions between clay and polymer with and without surfactant component. Both sides of the clay were examined with nylon 6. In order to determine specifically the type of interfacial interaction between clay and nylon 6, the electron distribution around the whole system was predicted. The study was carried out at various isomorphic substitutions. The substitutions took place at both octahedral and tetrahedral layers of the clay. The strength between clay and nylon 6 was predicted by calculating the binding energy. The results obtained revealed that, the strength increases with the increase in the degree of isomorphic substitutions. The type of bond between nylon 6 and basal surface of the clay was found to be basically electrostatic interactions, and particularly hydrogen bonds. Whilst, the type of interactions between nylon 6 and clay edge surface was found to include covalent bonds as well as electrostatic interactions. The formation and breakage of covalent bonds between nylon 6 and clay means that, a chemical decomposition of the clay can happen when it is mixed with certain type of polymers. The presence of surfactant can decrease the interfacial interactions between clay and nylon 6.

To relieve the axial stress induce rature high-pressure pipelines in deepwater, current design methods leave the pipe unburied and allow the formation of the lateral buckles along the pipeline in a controlled manner. However, this approach requires a better understanding of the interaction between the seabed soil and the partially embedded pipeline under both vertical and lateral movements. Research has been carried out to examine the two soil-pipe interaction mechanisms, vertical pipe penetration and lateral pipe movement, involved in the installation and operation of an on-bottom offshore pipeline. The findings reported in this thesis improve the current knowledge of pipe-soil interaction in clay. A series of physical model tests was conducted to investigate the behaviour of pipe penetration and lateral pipe movement in clay. The experiments were carried out using short pipe sections in a I g model tank equipped with a transparent Perspex window in the front panel, from which high quality images were obtained for the measurement of the soil deformation in the tests using an image analysis technique. The computational limit analysis, Discontinuity Layout Optimisation (DLO), was adopted to back-analyse and compare with the experimental results. In addition, parametric studies were conducted using DLO to investigate the effects of the change in soil geometry and soil condition on the pipe resistances and soil flow mechanisms for the vertical pipe penetration and the lateral pipe sweep processes. Experimental results showed that pipe penetration, prior to the fully embedded flow-around failure mechanism at very deep penetrations, involves four distinct stages in development of the failure mechanism from 'soil heave' to 'local flow-around' at shallow and deep pipe embedments, respectively. Good agreement was observed between the experimental and numerical results. The results of the parametric studies suggested that the onset depth of the fully embedded flow-around failure mechanism is strongly dependent on the undrained strength profile and tensile strength of the soil. The lateral resistance of a partially embedded pipe under different loading conditions was measured at both small and large lateral displacements. Results showed that the lateral resistance is strongly affected by the change in soil geometry, soil heave induced by the initial penetration and formation of the active berm in front of the pipe during lateral movements. Based on the results from the numerical and experimental studies, design equations are proposed for the predictions of (i) the pipe penetration resistance at both shallow and deep embedments, and (ii) the lateral resistance of a partially embedded pipe under combined vertical and horizontal loads at both small and large lateral displacements.