Investigating the mesh dependency and upscaling of 3D grain-based models for the simulation of brittle fracture processes in low-porosity crystalline rock

The application of 3D grain-based modelling techniques is investigated in both small and large scale 3DEC models, in order to simulate brittle fracture processes in low-porosity crystalline rock. Mesh dependency in 3D grain-based models (GBMs) is examined through a number of cases to compare Voronoi and tetrahedral grain assemblages. Various methods are used in the generation of tessellations, each with a number of issues and advantages. A number of comparative UCS test simulations capture the distinct failure mechanisms, strength profiles, and progressive damage development using various Voronoi and tetrahedral GBMs. Relative calibration requirements are outlined to generate similar macro-strength and damage profiles for all the models. The results confirmed a number of inherent model behaviors that arise due to mesh dependency. In Voronoi models, inherent tensile failure mechanisms are produced by internal wedging and rotation of Voronoi grains. This results in a combined dependence on frictional and cohesive strength. In tetrahedral models, increased kinematic freedom of grains and an abundance of straight, connected failure pathways causes a preference for shear failure. This results in an inability to develop significant normal stresses causing cohesional strength dependence. In general, Voronoi models require high relative contact tensile strength values, with lower contact stiffness and contact cohesional strength compared to tetrahedral tessellations. Upscaling of 3D GBMs is investigated for both Voronoi and tetrahedral tessellations using a case study from the AECL’s Mine-by-Experiment at the Underground Research Laboratory. An upscaled tetrahedral model was able to reasonably simulate damage development in the roof forming a notch geometry by adjusting the cohesive strength. An upscaled Voronoi model underestimated the damage development in the roof and floor, and overestimated the damage in the side-walls. This was attributed to the discretization resolution limitations.

Low-thermal-budget solution processing of thin films of zinc ferrite and other complex oxides

Further miniaturization of magnetic and electronic devices demands thin films of advanced nanomaterials with unique properties. Spinel ferrites have been studied extensively owing to their interesting magnetic and electrical properties coupled with stability against oxidation. Being an important ferrospinel, zinc ferrite has wide applications in the biological (MRI) and electronics (RF-CMOS) arenas. The performance of an oxide like ZnFe2O4 depends on stoichiometry (defect structure), and technological applications require thin films of high density, low porosity and controlled microstructure, which depend on the preparation process. While there are many methods for the synthesis of polycrystalline ZnFe2O4 powder, few methods exist for the deposition of its thin films, where prolonged processing at elevated temperature is not required. We report a novel, microwave-assisted, low temperature (<100°C) deposition process that is conducted in the liquid medium, developed for obtaining high quality, polycrystalline ZnFe2O4 thin films on technologically important substrates like Si(100). An environment-friendly solvent (ethanol) and non-hazardous oxide precursors (β-diketonates of Zn and Fe in 1:2 molar ratio), forming a solution together, is subjected to irradiation in a domestic microwave oven (2.45 GHz) for a few minutes, leading to reactions which result in the deposition of ZnFe2O4 films on Si (100) substrates suspended in the solution. Selected surfactants added to the reactant solution in optimum concentration can be used to control film microstructure. The nominal temperature of the irradiated solution, i.e., film deposition temperature, seldom exceeds 100°C, thus sharply lowering the thermal budget. Surface roughness and uniformity of large area depositions (50x50 mm2) are controlled by tweaking the concentration of the mother solution. Thickness of the films thus grown on Si (100) within 5 min of microwave irradiation can be as high as several microns. The present process, not requiring a vacuum system, carries a very low thermal budget and, together with a proper choice of solvents, is compatible with CMOS integration. This novel solution-based process for depositing highly resistive, adherent, smooth ferrimagnetic films on Si (100) is promising to RF engineers for the fabrication of passive circuit components. It is readily extended to a wide variety of functional oxide films.

Coatings and surface treatments for protection against low-velocity erosion-corrosion in fluidized beds

Surface coatings and treatments have been used to reduce material loss of components in bubbling fluidized bed combustors (FBCs). The performance of protective coatings in FBC boilers and laboratory simulations is reviewed. Important coating properties to minimize wastage appear to be high hardness, low oxidation rate, low porosity, high adhesion and sufficient thickness to maintain protection for a long period. Economic considerations and criteria for choosing a suitable coating or treatment are discussed for the different types of bubbling FBC. © 1995.

Sintering of porous alumina obtained by biotemplate fibers for low thermal conductivity applications

In this research report, a sintering process of porous ceramic materials based on Al2O3 was employed using a method where a cation precursor solution is embedded in an organic fibrous cotton matrix. For porous green bodies, the precursor solution and cotton were annealed at temperatures in the range of 100-1600°C using scanning electron microscopy (SEM) and thermogravimetric (TG) analysis to obtain a porous body formation and disposal process containing organic fibers and precursor solution. In a structure consisting of open pores and interconnected nanometric grains, despite the low porosity of around 40% (calculated geometrically), nitrogen physisorption determined a specific surface area of 14m2/g, which shows much sintering of porous bodies. Energy dispersive X-ray (EDX) and X-ray diffraction (XRD) analytical methods revealed a predominant amount of α-Al2O3 in the sintered samples. Thermal properties of the sintered Al2O3 fibers were obtained by using the Laser Flash which resulted in the lower thermal conductivity obtained by α-Al2O3 and therefore improved its potential use as an insulating material. © 2012 Elsevier Ltd.

Activation of a spherical carbon for toluene adsorption at low concentration

This paper complements a previous one [1] about toluene adsorption on a commercial spherical activated carbon and on samples obtained from it by CO2 or steam activation. The present paper deals with the activation of a commercial spherical carbon (SC) having low porosity and high bed density (0.85 g/cm3) using the same procedure. Our results show that SC can be well activated with CO2 or steam. The increase in the burn-off percentage leads to an increase in the gravimetric adsorption capacity (more intensively for CO2) and a decrease in bed density (more intensively for CO2). However, for similar porosity developments similar bed densities are achieved for CO2 and steam. Especial attention is paid to differences between both activating agents, comparing samples having similar or different activation rates, showing that CO2 generates more narrow porosity and penetrates more inside the spherical particles than steam. Steam activates more from the outside to the interior of the spheres and hence produces larger spheres size reductions. With both activation agents and with a suitable combination of porosity development and bed density, quite high volumetric adsorption values of toluene (up to 236 g toluene/L) can be obtained even using a low toluene concentration (200 ppmv).

Ultrasonic and X-ray computed tomography characterization of progressive fracture damage in low-porous carbonate rocks

This paper studies the fracturing process in low-porous rocks during uniaxial compressive tests considering the original defects and the new mechanical cracks in the material. For this purpose, five different kinds of rocks have been chosen with carbonate mineralogy and low porosity (lower than 2%). The characterization of the fracture damage is carried out using three different techniques: ultrasounds, mercury porosimetry and X-ray computed tomography. The proposed methodology allows quantifying the evolution of the porous system as well as studying the location of new cracks in the rock samples. Intercrystalline porosity (the smallest pores with pore radius < 1 μm) shows a limited development during loading, disappearing rapidly from the porosimetry curves and it is directly related to the initial plastic behaviour in the stress–strain patterns. However, the biggest pores (corresponding to the cracks) suffer a continuous enlargement until the unstable propagation of fractures. The measured crack initiation stress varies between 0.25 σp and 0.50 σp for marbles and between 0.50 σp and 0.85 σp for micrite limestone. The unstable propagation of cracks is assumed to occur very close to the peak strength. Crack propagation through the sample is completely independent of pre-existing defects (porous bands, stylolites, fractures and veins). The ultrasonic response in the time-domain is less sensitive to the fracture damage than the frequency-domain. P-wave velocity increases during loading test until the beginning of the unstable crack propagation. This increase is higher for marbles (between 15% and 30% from initial vp values) and lower for micrite limestones (between 5% and 10%). When the mechanical cracks propagate unstably, the velocity stops to increase and decreases only when rock damage is very high. Frequency analysis of the ultrasonic signals shows clear changes during the loading process. The spectrum of treated waveforms shows two main frequency peaks centred at low (~ 20 kHz) and high (~ 35 kHz) values. When new fractures appear and grow the amplitude of the high-frequency peak decreases, while that of the low-frequency peak increases. Besides, a slight frequency shift is observed towards higher frequencies.

Nanostructured mesoporous bioglass coated zirconia scaffolds for bone tissue engineering

For the filling and reconstruction of non-healing bone defects, the application of porous ceramic scaffold as bone substitutes is considered to be a reasonable choice. In bone tissue engineering, an ideal scaffold must satisfy several criterias such as open porosity, having high compressive strength (it depends where in body, and if external fixatures are used) and the practicability for cell migration. Many researchers have focused on enhancing the mechanical properties of hydroxyapatite scaffolds by combining it with other biomaterials, such as bioglass and polymers. Nevertheless, there is still a lack of suitable scaffolds based on porous biomaterials. In this study, zirconia scaffolds from two different templates (polyurethane (PU) and Acrylonitrile Butadiene Styrene (ABS) templates) were successfully fabricated with dissimilar fabrication techniques. The scaffold surfaces were further modified with mesoporous bioglass for the purpose of bone tissue engineering. In the study of PU template scaffold, high porosity (~88%) sol-gel derived yttria-stabilized zirconia (YSZ) scaffold was prepared by a polyurethane (PU) foam replica method using sol-gel derived zirconia for the first time, and double coated with Mesoporous Bioglass (MBGs) coating. For the ABS template scaffold, two types of templates (cube and cylinder) with different strut spacings were used and fabricated by a 3D Rapid Prototyper. Subsequently, zirconia scaffolds with low porosity (63±2.8% to 68±2.5%) were fabricated by embedding the zirconia powder slurry into the ABS templates and burning out the ABS to produce a uniform porous structure. The zirconia scaffolds were double coated with mesoporous bioglass by dip coating for the first time. The porosities of the scaffolds were calculated before and after coating. The microstructures were then examined using scanning electron microscopy and the mechanical properties were evaluated using compressive test. Accordingly, relationships between microstructure, processing and mechanical behaviour of the porous zirconia was discussed. Scaffold biocompatibility and bioactivity was also evaluated using a bone marrow stromal cell (BMSC) proliferation test and a simulated body fluid test.

Thermoelectric properties of Indium doped Cu2GeSe3

Cu2Ge1-xInxSe3 (x = 0, 0.05, 0.1, 0.15) compounds were prepared by a solid state synthesis. The powder X-ray diffraction pattern of the undoped sample revealed an orthorhombic phase. The increase in doping content led to the appearance of additional peaks related to cubic and tetragonal phases along with the orthorhombic phase. This may be due to the substitutional disorder created by Indium doping. Scanning Electron Microscopy micrographs showed a continuous large grain growth with low porosity, which confirms the compaction of the samples after hot pressing. Elemental composition was measured by Electron Probe Micro Analyzer and confirmed that all the samples are in the stoichiometric ratio. The electrical resistivity (rho) systematically decreased with an increase in doping content, but increased with the temperature indicating a heavily doped semiconductor behavior. A positive Seebeck coefficient (S) of all samples in the entire temperature range reveal holes as predominant charge carriers. Positive Hall coefficient data for the compounds Cu2InxGe1-xSe3 (x = 0, 0.1) at room temperature (RT) confirm the sign of Seebeck coefficient. The trend of rho as a function of doping content for the samples Cu2InxGe1-xSe3 with x = 0 and 0.1 agrees with the measured charge carrier density calculated from Hall data. The total thermal conductivity increased with rising doping content, attributed to an increase in carrier thermal conductivity. The thermal conductivity revealed 1/T dependence, which indicates the dominance of Umklapp phonon scattering at elevated temperatures. The maximum thermoelectric figure of merit (ZT) = 0.23 at 723 K was obtained for Cu2In0.1Ge0.9Se3. (C)2014 Elsevier Ltd. All rights reserved.

Thermoelectric properties of Co substituted synthetic tetrahedrite

Transition metal atom (Co) substituted synthetic tetrahedrite compounds Cu12-xCoxSb4S13 (x = 0, 0.5, 1.0, 1.5, 2.0) were prepared by solid state synthesis. X-Ray Diffraction (XRD) patterns revealed tetrahedrite as the main phase, whereas for the compounds with x = 0, 0.5 a trace of impurity phase Cu3SbS4 was observed. The surface morphology showed a large grain size with low porosity, which indicated appropriate compaction for the hot pressed samples. The phase purity, as monitored by Electron Probe Micro Analysis (EPMA) is in good agreement with the XRD data. The elemental composition for all the compounds almost matched with the nominal composition. The X-ray Photoelectron Spectroscopy (XPS) data showed that Cu existed in both +1 and +2 states, while Sb exhibited +3 oxidation states. Elastic modulus and hardness showed a systematic variation with increasing Co content. The electrical resistivity and Seebeck coefficient increased with increase in the doping content due to the decrease in the number of carriers caused by the substitution of Co2+ on the Cu1+ site. The positive Seebeck coefficient for all samples indicates that the dominant carriers are holes. A combined effect of resistivity and Seebeck coefficient leads to the maximum power factor of 1.76 mW m(-1) K-2 at 673 K for Cu11.5Co0.5Sb4S13. This could be due to the optimization in the carrier concentration by the partial substitution of Co2+ on both the Cu1+ as well as Cu2+ site at the same doping levels, which is also supported by the XPS data. The total thermal conductivity systematically decreased with increase of doping content as it is mainly influenced by the decrease of carrier thermal conductivity. The maximum thermoelectric figure of merit zT = 0.98 was obtained at 673 K for Cu11.5Co0.5Sb4S13. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Powder stream characteristics in cold spray nozzles

The exponential increase of industrial demand in the past two decades has led scientists to the development of alternative technologies for the fast manufacturing of engineering components, aside from standard and time consuming techniques such as casting or forging.Cold Spray (CS) is a newly developed manufacturing technique, based upon the deposition of metal powder on a substrate due to high energy particle impacts. In this process, the powder is accelerated up to considerable speed in a converging-diverging nozzle, typically using air, nitrogen or helium as a carrier gas. Recent developments have demonstrated significant process capabilities, from the building of mold-free 3D shapes made of various metals, to low porosity and corrosion resistant titanium coatings.In CS, the particle stream characteristics during the acceleration process are important in relation to the final geometry of the coating. Experimental studies have shown the tendency of particles to spread over the nozzle acceleration channel, resulting in a wide exit stream and in the difficulty of producing narrow tracks.This paper presents an investigation on the powder stream characteristics in CS supersonic nozzles. The powder insertion location was varied within the carrier gas flow, along with the geometry of the powder injector, in order to identify their relation with particle trajectories. Computational Fluid Dynamics (CFD) results by Fluent v6.3.26 are presented, along with experimental observations. Different configurations were tested and modeled, giving deposited track geometries of copper and tin ranging from 1. mm to 8. mm in width on metal and polymer substrates. © 2011 Elsevier B.V.

Acoustic radiation force of a Bessel beam on a porous sphere.

The possibility of using acoustic Bessel beams to produce an axial pulling force on porous particles is examined in an exact manner. The mathematical model utilizes the appropriate partial-wave expansion method in spherical coordinates, while Biot's model is used to describe the wave motion within the poroelastic medium. Of particular interest here is to examine the feasibility of using Bessel beams for (a) acoustic manipulation of fine porous particles and (b) suppression of particle resonances. To verify the viability of the technique, the radiation force and scattering form-function are calculated for aluminum and silica foams at various porosities. Inspection of the results has shown that acoustic manipulation of low porosity (<0.3) spheres is similar to that of solid elastic spheres, but this behavior significantly changes at higher porosities. Results have also shown a strong correlation between the backscattered form-function and the regions of negative radiation force. It has also been observed that the high-order resonances of the particle can be effectively suppressed by choosing the beam conical angle such that the acoustic contribution from that particular mode vanishes. This investigation may be helpful in the development of acoustic tweezers for manipulation of micro-porous drug delivery carrier and contrast agents.

Serpentinization of peridotites from the southern Mariana forearc

A detailed petrologic and mineralogic study was carried out on serpentinized peridotites dredged from the southern landward slopes of the Mariana Trench, in order to reveal the serpentinization process of these unusual rocks and to identify the sole presence of the mineral lizardite. The constituent minerals of these southern Mariana forearc peridotites are olivine, amphibole and spinel, as well as serpentine, chlorite and talc. Compared with serpentinite seamounts, the serpentinized peridotites from the southern Mariana forearc are characterized by the absence of magnetite and brucite, and the common presence of talc; besides, the serpentine mineral variety is simplex, only lizardite. Combining mineral chemistry and mineral phase relationships, we conclude that (1) the absence of magnetite in the serpentinized peridotites is due to incomplete serpentinization, other than magnetite, the iron end-member in olivine forms Fe-rich brucite and Fe-rich serpentine; (2) brucite is not stable with high silica activity, reacting with later SiO2-rich fluid and then forming lizardite, leading to a lack of brucite in these serpentinized peridotites; (3) the occurrence of talc is the result of later SiO2-rich fluid reactions with lizardite; and (4) the reason for the sole occurrence of lizardite is that the temperature condition of our study area was not high enough for the formation of antigorite (which is stable at > 500 degrees C). Despite the broad overlap of lizardite and chrysotile in growth temperature, differences in the modes of occurrence of lizardite and chrysotile, such as the scarcity of H2O, low porosity and permeability, as well as the actual situation of initial serpentinization in the study area, result in the absolute prevalence of lizardite over chrysotile in the area. (C) 2009 National Natural Science Foundation of China and Chinese Academy of Sciences. Published by Elsevier Limited and Science in China Press. All rights reserved.

裂隙/孔隙型弹性介质中地震波场模拟与叠前逆时偏移

With the development of oil/gas seismic exploration, seismic survey for fracture/porosity type reservoir is becoming more and more important. As for China, since it has over 60% store of low porosity and low permeability oil/gas reservoir, it’s more urgent to validly describe fracture/porosity type oil/gas trap and proposing the related, developed seismic technique. To achieve mapping fracture/porosity region and its development status, it demands profound understanding of seismic wave propagation discipline in complex fractured/pored media. Meanwhile, it has profound scientific significance and applied worth to study forward modeling of fracture/porosity type media and pre-stacked reverse time migration. Especially, pre-stacked reverse-time migration is the lead edge technique in the field of seismology and seismic exploration. In this paper, the author has summarized the meaning, history and the present state of numerical simulation of seismic propagation in fractured/pored media and seismic exploration of fractured/pored reservoirs. Extensive Dilatancy Anisotropy (EDA) model is selected as media object in this work. As to forward modeling, due to local limitation of solving spatial partial derivative when using finite-difference and finite-element method, the author turns to pseudo-spectral method (PSM), which is based on the global characteristic of Fourier transform to simulate three-component elastic wave-field. Artifact boundary effect reduction and simulation algorithm stability are also discussed in the work. The author has completed successfully forward modeling coding of elastic wave-field and numerical simulation of two-dimensional and three-dimensional EDA models with different symmetric axis. Seismic dynamic and kinematical properties of EDA media are analyzed from time slices and seismic records of wave propagation. As to pre-stacked reverse-time migration for elastic wave-field in fractured/pored media, based on the successful experience in forward modeling results with PSM, the author has studied pre-stacked reverse-time depth-domain migration technique using PSM of elastic wave-field in two dimensional EDA media induced by preferred fracture/pore distribution. At the same time, different image conditions will bring up what kind of migration result is detailed in this paper. The author has worded out software for pre-stacked reverse-time depth-domain migration of elastic wave-field in EDA media. After migration processing of a series of seismic shot gathers, influences to migration from different isotropic and anisotropy models are described in the paper. In summary, following creative research achievements are obtained:  Realizing two-dimensional and three-dimensional elastic wave-field modeling for fractured/pored media and related software has been completed.  Proposed pre-stacked reverse-time depth-domain migration technique using PSM of elastic wave-field.  Through analysis of the seismic dynamic and kinematical properties of EDA media, the author made a conclusion that collection of multi-component seismic data can provide important data basis for locating and describing the fracture/pore regions and their magnitudes and the preferred directions.  Pre-stacked reverse-time depth-domain migration technique has the ability to reconstruct complex geological object with steep formations and tilt fracture distribution. Neglecting seismic anisotropy induced by the preferred fracture/pore distribution, will lead to the disastrous imaging results.

鄂尔多斯盆地上古生界低渗透砂岩有效储层识别与预测

Sulige Gasfield, with a basically proven reserve as high as one trillion cubic meters, is one giant gas field discovered in China. The major gas -bearing layers are Upper Paleozoic strata with fluvial-lacustrine sedimentary facies. Generally, gas reservoirs in this field are characteristic by "five low" properties, namely low porosity, low permeability, low formation pressure, low productivity and low gas abundance. Reservoirs in this field also feature in a large distribution area, thin single sandbody thickness, poor reservoir physical properties, thin effective reservoir thickness, sharp horizontal and/or vertical changes in reservoir properties as well as poor connectivity between different reservoirs. Although outstanding achievements have been acquired in this field, there are still several problems in the evaluation and development of the reservoirs, such as: the relation between seismic attributes and reservoir property parameters is not exclusive, which yields more than one solution in using seismic attributes to predict reservoir parameters; the wave impedance distribution ranges of sandstone and mudstone are overlapped, means it is impossible to distinguish them through the application of post-stack impedance inversion; studies on seismic petrophysics, reservoir geophysical properties, wave reflection models and AVO features have a poor foundation, makes it difficult to recognize the specific differences between tight sandstone and gas-bearing sandstone and their distribution laws. These are the main reasons causing the low well drilling success rate and poor economic returns, which usually result in ineffective development and utilization of the field. Therefore, it is of great importance to perform studies on identification and prediction of effective reservoirs in low permeable sandstone strata. Taking the 2D and 3D multiwave-multicomponent seismic exploration block in Su6-Su5 area of Sulige field as a study area and He 8 member as target bed, analysis of the target bed sedimentary characteristics and logging data properties are performed, while criteria to identify effective reservoirs are determined. Then, techniques and technologies such as pre-stack seismic information (AVO, elastic impedance, wave-let absorption attenuation) and Gamma inversion, reservoir litological and geophysical properties prediction are used to increase the precision in identifying and predicting effective reservoirs; while P-wave and S-wave impedance, ratio of P/S wave velocities, rock elastic parameters and elastic impedance are used to perform sandstone gas-bearing property identification and gas reservoir thickness prediction. Innovative achievements are summarized as follows: 1. The study of this thesis is the first time that multiwave-multicomponent seismic data are used to identify and predict non-marine classic reservoirs in China. Through the application of multiwave-multicomponents seismic data and integration of both pre-stack and post-stack seismic data, a set of workflows and methods to perform high-precision prediction of effective reservoirs in low permeable sandstone is established systematically. 2. Four key techniques to perform effective reservoir prediction including AVO analysis, pre-stack elastic wave impedance inversion, elastic parameters inversion, and absorption attenuation analysis are developed, utilizing pre-stack seismic data to the utmost and increasing the correct rate for effective reservoir prediction to 83% from the former 67% with routine methods. 3. This thesis summarizes techniques and technologies used in the identification reservoir gas-bearing properties using multiwave-multicomponent seismic data. And for the first time, quantitative analysis on reservoir fluids such as oil, gas, and/or water are carried out, and characteristic lithology prediction techniques through the integration of pre-stack and post-stack seismic prediction techniques, common seismic inversion and rock elastic parameters inversion, as well as P-wave inversion and converted wave inversion is put forward, further increasing the correct rate of effective reservoir prediction in this area to 90%. 4. Ten seismic attribute parameters are selected in the 3D multi-wave area to perform a comprehensive evaluation on effective reservoirs using weighted-factor method. The results show that the first class effective reservoir covers an area of 10.08% of the study area, while the second and the third class reservoirs take 43.8% and 46% respectively, sharply increasing the success rate for appraisal and development wells.