Bond rolling resistance and its effect on yielding of bonded granulates by DEM analyses

A discrete element modelling of bonded granulates and investigation on the bond effect on their behaviour are very important to geomechanics. This paper presents a two‐dimensional (2‐D) discrete element theory for bonded granulates with bond rolling resistance and provides a numerical investigation into the effect of bond rolling resistance on the yielding of bonded granulates. The model consists of mechanical contact models and equations governing the motion of bonded particles. The key point of the theory is that the assumption in the original bond contact model previously proposed by the authors (55th CSCE‐ASCE Conference, Hamilton, Ont., Canada, 2002; 313–320; J. Eng. Mech. (ASCE) 2005; 131 (11):1209–1213) that bonded particles are in contact at discrete points, is here replaced by a more reliable assumption that bonded particles are in contact over a width. By making the idealization that the bond contact width is continuously distributed with the normal/tangential basic elements (BE) (each BE is composed of spring, dashpot, bond, slider or divider), we establish a bond rolling contact model together with bond normal/tangential contact models, and also relate the governing equations to local equilibrium. Only one physical parameter β needs to be introduced in the theory in comparison to the original bond discrete element model. The model has been implemented into a 2‐D distinct element method code, NS2D. Using the NS2D, a total of 86 1‐D, constant stress ratio, and biaxial compressions tests have been carried out on the bonded granular samples of different densities, bonding strengths and rolling resistances. The numerical results show that: (i) the new theory predicts a larger internal friction angle, a larger yielding stress, more brittle behaviour and larger final broken contact ratio than the original bond model; (ii) the yielding stress increases nonlinearly with the increasing value of β, and (iii) the first‐yield curve (initiation of bond breakage), which define a zone of none bond breakage and which shape and size are affected by the material density, is amplified by the bond rolling resistance in analogous to that predicted by the original bond model. Copyright © 2006 John Wiley & Sons, Ltd.     

结合水动力学原理在尼尔基水利枢纽·右岸副坝下游浸没研究中的应用

应用结合水动力学原理，采用野外调查和室内试验研究相结合、宏观 观研究和粘土微观研究相结合的方法，对粘土层的渗流特征进行了专门研究，确定粘土起始比降I0值，以确定测压水位与粘土不带水位、毛细力与毛管水上升高度之间的关系。在三维渗流电网络计算的基础上，进一步进行了粘土层内含水带的埋深计算，并重新选定毛管水上升高度值和浸没临界深度。研究结果表明，副坝下游浸没范围和程度大大减轻，只要进行适当的工程处理，下游浸没影响当可消除，建筑物安全也是有保证的。     

Organic pollutants associated with macromolecular soil organic matter: Mode of binding

A study of ether-linked moieties in macromolecular bound residues of polycyclic aromatic hydrocarbons (PAH) generated in bioremediation experiments was performed using high temperature hydrolysis degradation with subsequent analysis of the products by GC-MS. This hydrolysis reaction was specifically designed to cleave ether bonds including relatively stable diarylether structures. Among the reaction products, aromatic alcohols representing typical microbiologically derived metabolites of PAH were found in addition to natural compounds. Thus, parts of the bound residues appeared to be linked within the macromolecular material by ether bonds. Model experiments with an oxidoreductase enzyme and aromatic alcohols indicate the formation of these ether bonds to be an enzyme-catalysed process.     

从平衡-封闭-静态转向非平衡-开放-动力学研究-热液矿床成因的若干新概念概述

热液金属矿床成因研究过程中,观测与实验始终是密切结合的。上世纪70年代,平衡热力学的实验数据的快速积累,使人们用热力学理论计算可以预测和反演矿石和岩石的成因。但是,没有矿物-水溶液的反应速率数据,又没有与流体力学的结合,搞清楚矿石成因是困难的。七、八十年代,开始研究矿物与水溶液的反应动力学实验。科学家们开始瞄准了从平衡-封闭-静态转向非平衡-开放-动力学研究的这个大方向。1992年我们建立地球化学动力学开放研究实验室。研究高温高压矿物与水反应速率,发现固液的开放体系的自组织现象。实验发现温度影响矿物的各个元素反应速率改变,发现在跨越水临界态时矿物与水反应速率涨落、在近临界的气-液两相不混溶区一些金属进入气相、超临界流体的氧化作用及特别的溶剂性能影响矿物溶解性质。实验证实:临界态区流体与矿石成因有关。水岩相互作用的反应动力学实验温度从低温到550度,揭示矿石的金属来源、迁移、金属与蚀变分带机制。一大批大于300度的矿物与水反应动力学实验在国际界是少有报道的。九十年代,超高压的科学发展,与同步辐射光源的技术进步的结合,使固体地球科学又迈向了地球深内部。我们发展了高温高压流体性质的原位直测(测量850℃水溶液)红外谱,发现深部流体的新性质:气液两相流体的新结构,在临界温度区(300~400℃),水分子氢键网络的破坏受压力影响不大(23MPa~3GPa),同时,出现水的高电导率。研发新仪器为开放-流动-非平衡的反应动力学实验与极端条件下物质性质的直接观测结合,在科学前沿领域开辟了创新道路。     

上地幔超高压流体的金刚石压砧实验研究

地球深部流体主要是NaCl-H2O溶液,越到地球深部,它赋存的温度、压力越高,性质状态也不断变化,反之,亦然。当NaCl-H2O流体进入和脱离(上升过程)超临界状态时,其性质会发生截然不同的变化,影响着各种地质过程。使用金刚石压砧在高温高压下原位观测流体的实验,用谱学方法,结合同步辐射光源技术,成为定量化研究地球深部高温超高压流体的有效方法。作者使用同步辐射光源的红外谱研究了10GPa下的NaCl-H2O溶液;在地球化学动力学实验室研究了3GPa,650℃下的NaCl-H2O溶液红外谱,此测量方法可以提供温度压力和体积等数据,能研究其状态。NaCl-H2O溶液红外谱表明水分子主要振动谱受压力和温度影响是不同的。压力增加促使水分子主要振动谱向低波数变化。但是温度增加的效应相反。常温高压下水被压缩,结晶向紧密堆积变化。高温高压下的水有气、液、固和超临界流体各相。水分子间的氢键在近临界态开始减弱,氢键网络被破坏。     

boldmath Investigation of inter-molecular hydrogen bonding in the binary mixture (acetone + water) by concentration dependent Raman study and ab initio calculations

This paper reports that vibrational spectroscopic analysis on hydrogen-bonding between acetone and water comprises both experimental Raman spectra and ab initio calculations on structures of various acetone/water complexes with changing water concentrations. The optimised geometries and wavenumbers of the neat acetone molecule and its complexes are calculated by using ab initio method at the MP2 level with 6-311+G(d,p) basis set. Changes in wavenumber position and linewidth (fullwidth at half maximum) have been explained for neat as well as binary mixtures with different mole fractions of the reference system, acetone, in terms of intermolecular hydrogen bonding. The combination of experimental Raman data with ab initio calculation leads to a better knowledge of the concentration dependent changes in the spectral features in terms of hydrogen bonding.     

Mechanism and enhancement of photoluminescence from silicon nanocrystals implanted in SiO2 matrix

Photoluminescence (PL) spectra of Si nanocrystals (NCs) prepared by 130 keV Si ions implantation onto SiO₂ matrix were investigated as a function of annealing temperature and implanted ion dose. PL spectra consist of two PL peaks, originated from smaller Si NCs due to quantum confinement effect (QCE) and the interface states located at the surface of larger Si NCs. The evolution of number of dangling bonds (DBs) on Si NCs was also investigated. For hydrogen-passivated samples, a monotonic increase in PL peak intensity with the dose of implanted Si ions up to 3× 10¹⁷ ions /cm² is observed. The number of DBs on individual Si NC, the interaction between DBs at the surface of neighbouring Si NCs and their effects on the efficiency of PL are discussed.     

Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities

We have studied the temporal bond polarisabilities of para-nitroaniline from the Raman intensities by the algorithm proposed by Wu et al. in 1987 (Tian B, Wu G, Liu G 1987 J. Chem. Phys. 87 7300). The bond polarisabilities provide much information concerning the electronic structure of the non-resonant Raman excited virtual state. At the initial moment by the 514.5 nm excitation, the tendency of the excited electrons (mapped out by the bond polarisabilities) is to spread to the molecular periphery, and the electronic structure of the Raman virtual state is close to the pseudo-quinonoidic state. When the final stage of relaxation is approached, the bond polarisabilities of those peripheral bonds relax faster than those closer to the molecular core, the phenyl ring. The molecule is in the benzenoidic form as demonstrated by the bond polarisabilities after relaxation.     

Modeling 3D thermal fracture propagation by transient cooling using virtual multidimensional internal bonds

Thermal fracturing can play an important role in development of unconventional petroleum and geothermal resources. Thermal fractures can result from the nonlinear deformation of the rock in response to thermal stress related to cold water injection as well as heating. Before the rock reaches the final failure stage, material softening and bulk modulus degradation can cause changes in the thermo‐mechanical properties of the solid. In order to capture this aspect of the rock fracture, a virtual multidimensional internal bond‐based thermo‐mechanical model is derived to track elastic, softening, and the failure stages of the rock in response to the temporal changes of its temperature field. The variations in thermo‐mechanical properties of the rock are derived from a nonlinear constitutive model. To represent the thermo‐mechanical behavior of pre‐existing fractures, the element partition method is employed. Using the model, numerical simulation of 3D thermal fracture propagation in brittle rock is carried out. Results of numerical simulations provide evidence of model verification and illustrate nonlinear thermal response and fracture development in rock under uniform cooling. In addition, fracture coalescence in a cluster of fractures under thermal stress is illustrated, and the process of thermal fracturing from a wellbore is captured. Results underscore the importance of thermal stress in reservoir stimulation and show the effectiveness of the model to predict 3D thermal fracturing. Copyright © 2016 John Wiley & Sons, Ltd.     

Study of bond stress–slip relationship and radial dilation in prestressed concrete

This paper presents two test procedures for evaluating the bond stress–slip and the slip–radial dilation relationships when the prestressing force is transmitted by releasing the steel (wire or strand) in precast prestressed elements. The bond stress–slip relationship is obtained with short length specimens, to guarantee uniform bond stress, for three depths of the wire indentation (shallow, medium and deep). An analytical model for bond stress–slip relationship is proposed and compared with the experimental results. The model is also compared with the experimental results of other researchers. Since numerical models for studying bond‐splitting problems in prestressed concrete require experimental data about dilatancy angle (radial dilation), a test procedure is proposed to evaluate these parameters. The obtained values of the radial dilation are compared with the prior estimated by numerical modelling and good agreement is reached. Copyright © 2012 John Wiley & Sons, Ltd.