The five-parameter grain boundary character and energy distributions of a fully austenitic high-manganese steel using three dimensional data

The three-dimensional interfacial grain boundary network in a fully austenitic high-manganese steel was studied as a function of all five macroscopic crystallographic parameters (i.e. lattice misorientation and grain boundary plane normal) using electron backscattering diffraction mapping in conjunction with focused ion beam serial sectioning. The relative grain boundary area and energy distributions were strongly influenced by both the grain boundary plane orientation and the lattice misorientation. Grain boundaries terminated by (1 1 1) plane orientations revealed relatively higher populations and lower energies compared with other boundaries. The most frequently observed grain boundaries were {1 1 1} symmetric twist boundaries with the Σ3 misorientation, which also had the lowest energy. On average, the relative areas of different grain boundary types were inversely correlated to their energies. A comparison between the current result and previously reported observations (e.g. high-purity Ni) revealed that polycrystals with the same atomic structure (e.g. face-centered cubic) have very similar grain boundary character and energy distributions. © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Variant selection and intervariant crystallographic planes distribution in martensite in a Ti-6Al-4V alloy

The transformation texture was studied in a Ti-6Al-4V alloy for two microstructures produced through different phase transformation mechanisms (i.e. diffusional vs. displacive). Both microstructures revealed qualitatively similar crystallographic texture characteristics, having two main texture components with Euler angles of (90°, 90°, 0°) and (90°, 30°, 0°). However, the overall α texture strength was considerably weaker in the martensitic structure (i.e. displacive mechanism) compared with the α + β microstructure produced through slow cooling (i.e. diffusional mechanism). The intervariant boundary distribution in martensite mostly revealed five misorientations associated with the Burgers orientation relationship. The five-parameter boundary analysis also showed a very strong interface plane orientation texture, with interfaces terminated mostly on the prismatic planes {hki0}, when misorientation was ignored. The highest intervariant boundary populations belonged to the 63.26°/[10 553 ] and 60°/[112 0] misorientations, with length fractions of 0.38 and 0.3, respectively. The former was terminated on (41 3 0), and the latter was a symmetric tilt boundary, terminated on (1 011). The intervariant plane distribution in martensite was determined more by the constraints of the phase transformation than by the relative interface energies.

Microdamage Evolution, Energy Dissipation and Their Trans-Scale Effects on Macroscopic Failure

The process of damage evolution concerns various scales, from micro- to macroscopic. How to characterize the trans-scale nature of the process is on the challenging frontiers of solid mechanics. In this paper, a closed trans-scale formulation of damage evolution based on statistical microdamage mechanics is presented. As a case study, the damage evolution in spallation is analyzed with the formulation. Scaling of the formulation reveals that the following dimensionless numbers: reduced Mach number M, damage number S, stress wave Fourier number P, intrinsic Deborah number D*, and the imposed Deborah number De*, govern the whole process of deformation and damage evolution. The evaluation of P and the estimation of temperature increase show that the energy equation can be ignored as the first approximation in the case of spallation. Hence, apart from the two conventional macroscopic parameters: the reduced Mach number M and damage number S, the damage evolution in spallation is mainly governed by two microdamage-relevant parameters: the Deborah numbers D* and De*. Higher nucleation and growth rates of microdamage accelerate damage evolution, and result in higher damage in the target plate. In addition, the mere variation in nucleation rate does not change the spatial distribution of damage or form localized rupture, while the increase of microdamage growth rate localizes the damage distribution in the target plate, which can be characterized by the imposed Deborah number De*.

Mixture of changing uniaxial micellar forms in lyotropic biaxial nematics

Lyotropic nematics consisting of surfactant-cosurfactant water solutions may present a biaxial phase or direct U(+) <-> U(-) transitions, in different regions of the temperature-relative concentration phase diagram, for different systems and compositions. We propose that these may be related to changes of uniaxial micellar form, which may occur either smoothly or abruptly. Smooth change of cylinder-like into disc-like shapes requires a distribution of Maier-Saupe interaction constants and we consider two limiting cases for the distribution of forms: a single Gaussian and a double Gaussian. Alternatively, an abrupt change of form is described by a discontinuous distribution of interaction constants. Our results show that the dispersive distributions yield a biaxial phase, while an abrupt change of shape leads to coexistence of uniaxial phases. Fitting the theory to the experiment for the ternary system KL/decanol/D2O leads to transition lines in very good agreement with experimental results. In order to rationalise the results of the comparison, we analyse temperature and concentration form dependence, which connects micellar and experimental macroscopic parameters. Physically consistent variations of micellar asymmetry, amphiphile partitioning and volume are obtained. To the best of the authors` knowledge, this is the first truly statistical microscopic approach that is able to model experimentally observed lyotropic biaxial nematic phases.

Long-term influence of chitin concentration on the resistance of cement pastes determined by atomic force microscopy

The presence of sulfates potentialize damage on cementbased materials, leading to structural failures. Therefore, structures must be designed to compensate for this effect. The mechanical properties of cement–chitin mixtures are investigated with different percentages of chitin (0.5, 1.3, and 2.1 wt.%) and aging of composite in a joint nanoscopic- and macroscopic-scale by experimental study. The objective is to increase the durability of concrete elements at coastal aquifers where concrete structures are in constant exposure to sulfate ions, chloride ions among others. Tapping mode AFM was used to characterize the surface structure and roughness of the cement pastes. To verify the chitin addition and the formation of sulfate-based aggregates Raman and IR spectra were recorded and are presented in this work. Then, force spectroscopy was used to obtain the nanomechanical properties at three different exposure times (1 day, 6 months, and 1 year) into water or a SO4 2 environment. Macroscopic parameters (e.g., compression strength of cylindrical probes) were assessed for comparison following standard guidelines. The results show a decrease of its mechanical properties as a function of the polymer concentration but more importantly, they correlate the elasticity and adhesion at the nanoscale with the behavior of the bulk material.

Conformational Dynamics in Alkyl Chains of an Anchored Bilayer: A Molecular Dynamics Study

Molecular dynamics (MD) simulations are reported for an anchored bilayer formed by the intercalation of cetyl trimethyl ammonium (CTA) and CH3(CH2)15N+(CH3) ions in a layered solid, CdPS3. The intercalated CTA ions are organized with the cationic headgroups tethered to the inorganic sheet and the hydrocarbon tails arranged as bilayers. Simulations were performed at three temperatures, 65, 180, and 298 K, using an isothermal−isobaric ensemble that was subsequently switched once macroscopic parameters had converged to a canonical isothermal−isochoric ensemble. The simulations are able to reproduce the experimental features of this system, including the formation of the bilayer and layer-to-layer separation distance. An analysis of the conformation of the chains showed that at all three temperatures a fraction of the alkyl chains retained a planar all-trans conformation, and that gauche bonds occurred as part of a “kink” (gauche+−trans−gauche−) sequence and not as isolated gauche bonds. Trans−gauche isomerization rates for the alkyl chains in the anchored bilayer are slower than those in lipid bilayers at the same temperature and show a progressive increase as the torsion numbers approach the tail. A two-dimensional periodic Voronoi tessellation analysis was performed to obtain the single-molecular area of an alkyl chain in the bilayer. The single-molecular area relaxation times are an order of magnitude longer than the trans−gauche isomerization times. The results indicate that the trans−gauche isomerization is associated with the creation and annihilation of a kink defect sequence. The results of the present MD simulation explain the apparent conflicting estimates of the gauche disorder in this system as obtained from infrared and 13C nuclear magnetic resonance measurements.

Mesofracture mechanics: a necessary link

Classical fracture mechanics is based on the premise that small scale features could be averaged to give a larger scale property such that the assumption of material homogeneity would hold. Involvement of the material microstructure, however, necessitates different characteristic lengths for describing different geometric features. Macroscopic parameters could not be freely exchanged with those at the microscopic scale level. Such a practice could cause misinterpretation of test data. Ambiguities arising from the lack of a more precise range of limitations for the definitions of physical parameters are discussed in connection with material length scales. Physical events overlooked between the macroscopic and microscopic scale could be the link that is needed to bridge the gap. The classical models for the creation of free surface for a liquid and solid are oversimplified. They consider only the translational motion of individual atoms. Movements of groups or clusters of molecules deserve attention. Multiscale cracking behavior also requires the distinction of material damage involving at least two different scales in a single simulation. In this connection, special attention should be given to the use of asymptotic solution in contrast to the full field solution when applying fracture criteria. The former may leave out detail features that would have otherwise been included by the latter. Illustrations are provided for predicting the crack initiation sites of piezoceramics. No definite conclusions can be drawn from the atomistic simulation models such as those used in molecular dynamics until the non-equilibrium boundary conditions can be better understood. The specification of strain rates and temperatures should be synchronized as the specimen size is reduced to microns. Many of the results obtained at the atomic scale should be first identified with those at the mesoscale before they are assumed to be connected with macroscopic observations. Hopefully, "mesofracture mechanics" could serve as the link to bring macrofracture mechanics closer to microfracture mechanics.

Photoisomerising effects in nitroazo flexoelectric dimeric nematic systems

The photoisomerisation of a flexoelectric chiral nematic bimesogen system dyed with an azo dye has been investigated. The host material has a pitch and field dependent tilt angle that are temperature independent. Upon illumination by ultra violet, the azo dye molecules undergo a shape change from their trans to cis isomer. The effect of the shape change of the dye on the mixture is to decrease the I-N* transition temperatures, to increase the response times and to decrease the transmitted optical intensity. For the same reduced temperatures, the tilt angles, pitch and threshold voltages for the transition from focal conic to homeotropic textures are unchanged. The macroscopic parameters observed suggest that the orientational order parameter of the system is reduced by UV illumination. The cis isomers do not appear to separate from the host material or significantly change the flexoelectric coefficient. © 2001 OPA (Overseas Publishers Association) N.V. Published by license under the Gordon and Breach Science Publishers imprint, a member of the Taylor & Francis Group.

Computational engineering design for micro-scale combustion devices: A thermally improved configuration

A multi-objective design optimisation study has been carried out with the objectives to improve the overall efficiency of the device and to reduce the fuel consumption for the proposed micro-scale combustor design configuration. In a previous study we identified the topology of the combustion chamber that produced improved behaviour of the device in terms of the above design criteria. We now extend our design approach, and we propose a new configuration by the addition of a micro-cooling channel that will improve the thermal behaviour of the design as previously suggested in literature. Our initial numerical results revealed an improvement of 2.6% in the combustion efficiency when we applied the micro-cooling channel to an optimum design configuration we identified from our earlier multi-objective optimisation study, and under the same operating conditions. The computational modelling of the combustion process is implemented in the commercial computational fluid dynamics package ANSYS-CFX using Finite Rate Chemistry and a single step hydrogen-air reaction. With this model we try to balance good accuracy of the combustion solution and at the same time practicality within the context of an optimisation process. The whole design system comprises also the ANSYS-ICEM CFD package for the automatic geometry and mesh generation and the Multi-Objective Tabu Search algorithm for the design space exploration. We model the design problem with 5 geometrical parameters and 3 operational parameters subject to 5 design constraints that secure practicality and feasibility of the new optimum design configurations. The final results demonstrate the reliability and efficiency of the developed computational design system and most importantly we assess the practicality and manufacturability of the revealed optimum design configurations of micro-combustor devices. Copyright © 2013 by ASME.

弱各向异性介质中传播的地震波及其速度重建

We begin our studies to make the best of information of seismic data and carry out the description of cracks parameters by extracting anisotropic information. The researching contents are: (1) velocity and polarization anomaly of seismic wave (qP and qSV wave) in weak anisotropic media; (2) reflection seismic synthetic record in anisotropic media; (3) multiple scattering induced by cracks; (4) anisotropic structure inversion and velocity reconstruction with VSP (Vertical Seismic Profile) data; (5) multi-parameters analysis of anisotropy in time-domain and depth-domain. Then we obtain results as follows: (1) We achieve approximate relation of qP and qSV wave's velocity and polarization property in weak anisotropic media. At the same time, we calculate anisotropic velocity factors and polarization anomaly of several typical sedimentary rocks. The results show there are different anisotropic velocity factors and polarization anomaly in different rocks. It is one of the primary theoretical foundation which is expected to identify lithology; (2) We calculate reflection seismic synthetic record with theoretical model; (3) We simulate scattering induced by cracks with Boundary Element Method. Numerical studies show that in the presence of cracks; spatial and scale-length distributions are important and cannot be ignored in modeling cracked solids; (4) From traveltimes information of VSP data, we study the velocity parameter inversion of seismic wave under isotropic and anisotropic models, and its result indicate that the inversion imaging under anisotropic model will not destroy the original features of isotropic model, but it will bring on some bigger error if we adopt the method of isotropic model for anisotropic model data. Further more, basing on the study we develop the CDP mapping technology of reflecting structure under isotropic and anisotropic models, and we process real data as a trial of the methods; (5) We study the problem of initial model reconstruction of anisotropic parameters structure represented by Anderson parameter in depth domain for surface data.

珠江口盆地流花11-1油田储层非均质性及流体分布规律研究

In order to discover the distribution law of the remaining oil, the paper focuses on the quantitative characterization of the reservoir heterogeneity and the distribution law of the fluid barrier and interbed, based on fine geological study of the reservoir in Liuhuall-1 oil field. The refined quantitative reservoir geological model has been established by means of the study of core analysis, logging evaluation on vertical well and parallel well, and seismic interpretation and prediction. Utilizing a comprehensive technology combining dynamic data with static data, the distribution characteristics, formation condition and controlling factors of remaining oil in Liuhuall-1 oil field have been illustrated. The study plays an important role in the enrichment regions of the remaining oil and gives scientific direction for the next development of the remaining oil. Several achievements have been obtained as follows: l.On the basis of the study of reservoir division and correlation,eight lithohorizons (layer A, B_1, B_2, B_3, C, D, E, and F) from the top to the bottom of the reservoir are discriminated. The reef facies is subdivided into reef-core facies, fore-reef facies and backreef facies. These three subfacies are further subdivided into five microfacies: coral algal limestone, coralgal micrite, coral algal clastic limestone, bioclastic limestone and foraminiferal limestone. In order to illustrate the distribution law of remaining oil in high watercut period, the stratigraphic structure model and sedimentary model are reconstructed. 2.1n order to research intra-layer, inter-layer and plane reservoir heterogeneity, a new method to characterize reservoir heterogeneity by using IRH (Index of Reservoir Heterogeneity) is introduced. The result indicates that reservoir heterogeneity is medium in layer B_1 and B_3, hard in layer A, B_2, C, E, poor in layer D. 3.Based on the study of the distribution law of fluid barrier and interbed, the effect of fluid battier and interbed on fluid seepage is revealed. Fluid barrier and interbed is abundant in layer A, which control the distribution of crude oil in reservoir. Fluid barrier and interbed is abundant relatively in layer B_2,C and E, which control the spill movement of the bottom water. Layer B_1, B_3 and D tend to be waterflooded due to fluid barrier and interbed is poor. 4.Based on the analysis of reservoir heterogeneity, fluid barrier and interbed and the distribution of bottom water, four contributing regions are discovered. The main lies on the north of well LH11-1A. Two minors lie on the east of well LH11-1-3 and between well LH11-1-3 and well LH11-1-5. The last one lies in layer E in which the interbed is discontinuous. 5.The parameters of reservoir and fluid are obtained recurring to core analysis, logging evaluation on vertical well and parallel well, and seismic interpretation and prediction. Theses parameters provide data for the quantitative characterization of the reservoir heterogeneity and the distribution law of the fluid barrier and interbed. 6.1n the paper, an integrated method about the distribution prediction of remaining oil is put forward on basis of refined reservoir geological model and reservoir numerical simulation. The precision in history match and prediction of remaining oil is improved greatly. The integrated study embodies latest trend in this research field. 7.It is shown that the enrichment of the remaining oil with high watercut in Liuhua 11-1 oil field is influenced by reservoir heterogeneity, fluid barrier and interbed, sealing property of fault, driving manner of bottom water and exploitation manner of parallel well. 8.Using microfacies, IRH, reservoir structure, effective thickness, physical property of reservoir, distribution of fluid barrier and interbed, the analysis of oil and water movement and production data, twelve new sidetracked holes are proposed and demonstrated. The result is favorable to instruct oil field development and have gotten a good effect.

Towards a unifying framework for pattern transformation in swarm systems

This paper identifies the major challenges in the area of pattern formation. The work is also motivated by the need for development of a single framework to surmount these challenges. A framework based on the control of macroscopic parameters is proposed. The issue of transformation of patterns is specifically considered. A definition for transformation and four special cases, namely elementary and geometrical transformations by repositioning all or some robots in the pattern are provided. Two feasible tools for pattern transformation namely, a macroscopic parameter method and a mathematical tool - Moebius transformation also known as the linear fractional transformation are introduced. The realization of the unifying framework considering planning and communication is reported.

Swarm pattern transformation methodologies

The work reported in this paper is motivated by the need for developing swarm pattern transformation methodologies. Two methods, namely a macroscopic method and a mathematical method are investigated for pattern transformation. The first method is based on macroscopic parameters while the second method is based on both microscopic and macroscopic parameters. A formal definition to pattern transformation considering four special cases of transformation is presented. Simulations on a physics simulation engine are used to confirm the feasibility of the proposed transformation methods. A brief comparison between the two methods is also presented.

Investigating feasible tools for swarm pattern transformation

Abstract-The work reported in this paper is motivated by the need for developing swarm pattern transformation methodologies. Two methods, namely a macroscopic method and a mathematical method are investigated for pattern transformation. The first method is based on macroscopic parameters while the second method is based on both microscopic and macroscopic parameters. A formal definition to pattern transformation considering four special cases of transformation is presented. Simulations on a physics simulation engine are used to confirm the feasibility of the proposed transformation methods. A brief comparison between the two methods is also presented.