Numerical simulations of void growth near a notch tip in ductile single crystals

The objective of this work is to study the growth of a cylindrical void ahead of a notch tip in ductile FCC single crystals under mode I, plane strain, small scale yielding (SSY) conditions. To this end, finite element simulations are performed within crystal plasticity framework neglecting elastic anisotropy. Attention is focussed on the effects of crystal hardening, ratio of void diameter to spacing from the notch and crystal orientation on plastic flow localization in the ligament connecting the notch and the void as well as their growth. The results show strong interaction between shear bands emanating from the notch and angular sectors of single slip forming around the void leading to intense plastic strain development in the ligament. Further, the ductile fracture processes are retarded by increase in hardening of the single crystal and decrease in ratio of void diameter to spacing from the notch. Also, a strong influence of crystal orientation on near-tip void growth and plastic slip band development is observed. Finally, the synergistic, cooperative growth of multiple voids ahead of the notch tip is examined.

Influence of crack tip constraint on void growth in ductile FCC single crystals

Effect of constraint (stress triaxiality) on void growth near a notch tip in a FCC single crystal is investigated. Finite element simulations within the modified boundary layer framework are conducted using crystal plasticity constitutive equations and neglecting elastic anisotropy. Displacement boundary conditions based on model, elastic, two term K-T field are applied on the outer boundary of a large circular domain. A pre-nucleated void is considered ahead of a stationary notch tip. The interaction between the notch tip and the void is studied under different constraints (T-stress levels) and crystal orientations. It is found that negative T-stress retards the mechanisms of ductile fracture. However, the extent of retardation depends on the crystal orientation. Further, it is found that there exists a particular orientation which delays the ductile fracture processes and hence can potentially improve ductility. This optimal orientation depends on the constraint level. (C) 2010 Published by Elsevier B.V.

Ductile fracture by multiple void growth and interaction ahead of a notch tip in polycrystalline plastic solids

The objectives of this paper are to study the effects of plastic anisotropy and evolution in crystallographic texture with deformation on the ductile fracture behaviour of polycrystalline solids. To this end, numerical simulations of multiple void growth and interaction ahead of a notch tip are performed under mode I, plane strain, small scale yielding conditions using two approaches. The first approach is based on the Hill yield theory, while the second employs crystal plasticity constitutive equations and a Taylor-type homogenization in order to represent the ductile polycrystalline solid. The initial textures pertaining to continuous cast Al-Mg AA5754 sheets in recrystallized and cold rolled conditions are considered. The former is nearly-isotropic, while the latter displays pronounced anisotropy. The results indicate distinct changes in texture in the ligaments bridging the voids ahead of the notch tip with increase in load level which gives rise to retardation in porosity evolution and increase in tearing resistance for both materials.

Constraint effects on multiple void interaction in pressure sensitive plastic solids

In this work, effects of pressure sensitive yielding and plastic dilatancy on void growth and void interaction mechanisms in fracture specimens displaying high and low constraint levels are investigated. To this end, large deformation finite element simulations are carried out with discrete voids ahead of the notch. It is observed that multiple void interaction mechanism which is favored by high initial porosity is further accelerated by pressure sensitive yielding, but is retarded by loss of constraint. The resistance curves predicted based on a simple void coalescence criterion show enhancement in fracture resistance when constraint level is low and when pressure sensitivity is suppressed.

A numerical investigation of ductile fracture initiation in a high-strength low-alloy steel

In this work, static and drop-weight impact experiments, which have been conducted using three-point bend fracture specimens of a high-strength low-alloy steel, are analysed by performing finite-element simulations. The Gurson constitutive model that accounts for the ductile failure mechanisms of microvoid nucleation, growth and is employed within the framework of a finite deformation plasticity theory. Two populations of second-phase particles are considered, including large inclusions which initiate voids at an early stage and small particles which require large strains to nucleate voids. The most important objective of the work is to assess quantitatively the effects of material inertia, strain rate sensitivity and local adiabatic temperature rise (due to conversion of plastic work into heat) on dynamic ductile crack initiation. This is accomplished by comparing the evolution histories of void volume fraction near the notch tip in the static analysis with the dynamic analyses. The results indicate that increased strain hardening caused by strain rate sensitivity, which becomes important under dynamic loading, plays a benign role in considerably slowing down the void growth rate near the notch tip. This is partially opposed by thermal softening caused by adiabatic heating near the notch tip.

Interaction between a notch and cylindrical voids in aluminum single crystals: Experimental observations and numerical simulations

A combined 3D finite element simulation and experimental study of interaction between a notch and cylindrical voids ahead of it in single edge notch (tension) aluminum single crystal specimens is undertaken in this work. Two lattice orientations are considered in which the notch front is parallel to the crystallographic 10 (1) over bar] direction. The flat surface of the notch coincides with the (010) plane in one orientation and with the (1 (1) over bar1) plane in the other. Three equally spaced cylindrical voids are placed directly ahead of the notch tip. The predicted load-displacement curves, slip traces, lattice rotation and void growth from the finite element analysis are found to be in good agreement with the experimental observations for both the orientations. Finite element results show considerable through-thickness variation in both hydrostatic stress and equivalent plastic slip which, however, depends additionally on the lattice orientation. The through-thickness variation in the above quantities affects the void growth rate and causes it to differ from the center-plane to the free surface of the specimen. (c) 2012 Elsevier Ltd. All rights reserved.

Fracture behavior of magnesium alloys - Role of tensile twinning

In this work, Mode-I fracture experiments are conducted using notched compact tension specimens machined from a rolled AZ31 Mg alloy plate having near-basal texture with load applied along rolling direction (RD) and transverse direction (TD). Moderately high notched fracture toughness of J(C) similar to 46 N/mm is obtained in both RD and TD specimens. Fracture surface shows crack tunneling at specimen mid-thickness and extensive shear lips near the free surface. Dimples are observed from SEM fractographs suggesting ductile fracture. EBSD analysis shows profuse tensile twinning in the ligament ahead of the notch. It is shown that tensile twinning plays a dual role in enhancing the toughness in the notched fracture specimens with reduced triaxiality. It provides significant dissipation in the background plastic zone and imparts hardening to the material surrounding the fracture process zone via operation of several mechanisms which retards micro-void growth and coalescence. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Dynamic growth of tensile cracks by ductile and brittle fracture mechanisms in a viscoplastic material

In this paper, a finite element analysis of steady-state dynamic crack growth under Mode I, plane strain, small-scale yielding conditions is performed in a rate dependent plastic material characterized by the over-stress model. The main objective of the paper is to obtain theoretically the dependence of dynamic fracture toughness on crack speed. Crack propagation due to a ductile (micro-void) mechanism or a brittle (cleavage) mechanism, as well as transition from one mode to another are considered. The conversion from ductile to brittle has been observed experimentally but has received very little attention using analytical methods. Local fracture criteria based on strains and stresses are used to describe ductile and brittle fracture mechanisms. The results obtained in this paper are in general agreement with micro-structural observations of mode conversion during fracture initiation. Finally, the particular roles played by material rate sensitivity and inertia are examined in some detail.

Novel derivatives of spirohydantoin induce growth inhibition followed by apoptosis in leukemia cells

Hydantoin derivatives possess a variety of biochemical and pharmacological properties and consequently are used to treat many human diseases. However, there are only few studies focusing on their potential as cancer therapeutic agents. In the present study, we have examined anticancer properties of two novel spirohydantoin compounds, 8-(3,4-difluorobenzyl)-1'-(pent-4-enyl)-8-azaspiro[bicyclo[3.2.1] octane-3,4'-imidazolidine]-2',5'-dione (DFH) and 8-(3,4-dichlorobenzyl)-1'-(pent-4-enyl)-8-azaspiro[bicyclo[3.2.1]octane-3,4'-imidazolidine]-2',5'-dione (DCH). Both the compounds exhibited dose- and time-dependent cytotoxic effect on human leukemic cell lines, K562, Reh, CEM and 8ES. Incorporation of tritiated thymidine ([H-3) thymidine) in conjunction with cell cycle analysis suggested that DFH and DCH inhibited the growth of leukemic cells. Downregulation of PCNA and p-histone H3 further confirm that the growth inhibition could be at the level of DNA replication. Flow cytometric analysis indicated the accumulation of cells at subG1 phase suggesting induction of apoptosis, which was further confirmed and quantified both by fluorescence-activated cell sorting (FACS) and confocal microscopy following annexin V-FITC/propidium iodide (PI) staining. Mechanistically, our data support the induction of apoptosis by activation of the mitochondrial pathway. Results supporting such a model include, elevated levels of p53, and BAD, decreased level of BCL2, activation and cleavage of caspase 9, activation of procaspase 3, poly (ADP-ribosyl) polymerase (PARP) cleavage, downregulation of Ku70, Ku80 and DNA fragmentation. Based on these results we discuss the mechanism of apoptosis induced by DFH and its implications in leukemia therapy. (C) 2008 Elsevier Inc. All rights reserved.

Growth and attachment of Thiobacillus ferrooxidans during sulfide mineral leaching

The growth of Thiobacillus ferrooxidans, their attachment to sulfide minerals and detachment during bacterial leaching are discussed in this paper. Growth of the bacteria has been measured by cell count of the supernatants of the mineral suspensions while attachment to minerals and detachment were measured by periodic protein estimations for both the solid and liquid phases, Even in the absence of the nutrients, bacterial growth occurs and increases the available cell population during leaching; such growth was greater in sphalerite suspensions than in galena suspensions, The bacterial attachment studies suggest that more cells are attached onto galena mineral surface than to sphalerite surface. The mechanisms of bacterial attachment and detachment are discussed.

Growth and electron effective mass measurements of strained Si and Si0.94Ge0.06 on relaxed Si0.62Ge0.38 buffers grown by rapid thermal chemical vapor deposition

Abstract: We report the growth and the electron cyclotron resonance measurements of n-type Si/Si0.62Ge0.38 and Si0.94Ge0.06/Si0.62Ge0.38 modulation-doped heterostructures grown by rapid thermal chemical vapor deposition. The strained Si and Si0.94Ge0.06 channels were grown on relaxed Si0.62Ge0.38 buffer layers, which consist of 0.6 mu m uniform Si0.62Ge0.38 layers and 0.5 mu m compositionally graded relaxed SiGe layers from 0 to 38% Ge. The buffer layers were annealed at 800 degrees C for 1 h to obtain complete relaxation. A 75 Angstrom Si(SiGe) channel with a 100 Angstrom spacer and a 300 Angstrom 2 X 10(19) cm(-3) n-type supply layer was grown on the top of the buffer layers. The cross-sectional transmission electron microscope reveals that the dense dislocation network is confined to the buffer layer, and relatively few dislocations terminate on the surface. The plan-view image indicates the threading dislocation density is about 4 X 10(6) cm(-2). The far-infrared measurements of electron cyclotron resonance were performed at 4 K with the magnetic field of 4-8 T. The effective masses determined from the slope of the center frequency of the absorption peak versus applied magnetic field plot are 0.203m(0) and 0.193m(0) for the two dimensional electron gases in the Si and Si0.94Ge0.06 channels, respectively. The Si effective mass is very close to that of a two dimensional electron gas in an Si MOSFET (0.198m(0)). The electron effective mass of Si0.94Ge0.06 is reported for the first time and is about 5% lower than that of pure Si.

Wave propagation in elastic solids undergoing damage and growth process

Modeling and analysis of wave propagation in elastic solids undergoing damage and growth process are reported in this paper. Two types of diagnostic problems, (1) the propagation of waves in the presence of a slow growth process and (2) the propagation of waves in the presence of a fast growth process, are considered. The proposed model employs a slow and a fast time scale and a homogenization technique in the wavelength scale. A detailed analysis of wave dispersion is carried out. A spectral analysis reveals certain low-frequency bands, where the interaction between the wave and the growth process produces acoustic metamaterial-like behavior. Various practical issues in designing an efficient method of acousto-ultrasonic wave based diagnostics of the growth process are discussed. Diagnostics of isotropic damage in a ductile or quasi-brittle solid by using a micro-second pulsating signal is considered for computer simulations, which is to illustrate the practical application of the proposed modeling and analysis. The simulated results explain how an estimate of signal spreading can be effectively employed to detect the presence of a steady-state damage or the saturation of a process.

Void Geometry Driven Spin Crossover in Zeolite-Encapsulated Cobalt Tris(bipyridyl) Complex Ion

The cobalt(II) tris(bipyridyl) complex ion encapsulated in zeolite-Y supercages exhibits a thermally driven interconversion between a low-spin and a high-spin state-a phenomenon not observed for this ion either in solid state or in solution. From a comparative study of the magnetism and optical spectroscopy of the encapsulated and unencapsulated complex ion, supported by molecular modeling, such spin behavior is shown to be intramolecular in origin. In the unencapsulated or free state, the [Co(bipy)(3)](2+) ion exhibits a marked trigonal prismatic distortion, but on encapsulation, the topology of the supercage forces it to adopt a near-octahedral geometry. An analysis using the angular overlap ligand field model with spectroscopically derived parameters shows that the geometry does indeed give rise to a low-spin ground state, and suggests a possible scenario for the spin state interconversion.

Different phenomenological theories and their abilities to describe the interdiffusion process in a binary system during multiphase growth

There are essentially two different phenomenological models available to describe the interdiffusion process in binary systems in the olid state. The first of these, which is used more frequently, is based on the theory of flux partitioning. The second model, developed much more recently, uses the theory of dissociation and reaction. Although the theory of flux partitioning has been widely used, we found that this theory does not account for the mobility of both species and therefore is not suitable for use in most interdiffusion systems. We have first modified this theory to take into account the mobility of both species and then further extended it to develop relations or the integrated diffusion coefficient and the ratio of diffusivities of the species. The versatility of these two different models is examined in the Co-Si system with respect to different end-member compositions. From our analysis, we found that the applicability of the theory of flux partitioning is rather limited but the theory of dissociation and reaction can be used in any binary system.