Cleavage initiation in the intercritically reheated coarse-grained heat-affected zone:Part I. Fractographic evidence

Tensile, crack opening displacement (COD), blunt notch, and Charpy impact tests were used to investigate cleavage initiation in the intercritically reheated coarse-grained heat-affected zone (IC CG HAZ) of three steels. The steels were chosen to provide different distributions and morphologies of MA (high-carbon martensite with some retained austenite) particles within the IC CG HAZ structure. Observation of minimum impact toughness values for the IC CG HAZ was found to be associated with a particular microstructure containing a near-connected grain boundary network of blocky MA particles, the MA particles being significantly harder than the internal grain microstructure. The initiation mechanism for this structure was determined to be from a combination of an overlap of residual transformational induced stress fields, due to the formation of the MA particles, between two closely spaced particles and stress concentration effects resulting from debonding of the particles. © 1994 The Minerals, Metals and Materials Society, and ASM International.

Cleavage initiation in the intercritically reheated coarse-grained heat affected zone:Part II. Failure criteria and statistical effects

In part 1 of this article, cleavage initiation in the intercritically reheated coarse-grained heat affected zone (IC CG HAZ) of high-strength low-alloy (HSLA) steels was determined to occur between two closely spaced blocky MA particles. Blunt notch, crack tip opening displacement (CTOD), and precracked Charpy testing were used in this investigation to determine the failure criteria required for cleavage initiation to occur by this mechanism in the IC CG HAZ. It was found that the attainment of a critical level of strain was required in addition to a critical level of stress. This does not occur in the case of high strain rate testing, for example, during precracked Charpy testing. A different cleavage initiation mechanism is then found to operate. The precise fracture criteria and microstructural requirements (described in part I of this article) result in competition between potential cleavage initiation mechanisms in the IC CG HAZ.

Micromechanics of agglomerate damage processes

This thesis reports a detailed investigation of the micromechanics of agglomerate behaviour under free-fall impact, double (punch) impact and diametrical compression tests using the simulation software TRUBAL. The software is based on the discrete element method (DEM) which incorporates the Newtonian equations of motion and contact mechanics theory to model the interparticle interactions. Four agglomerates have been used: three dense (differing in interface energy and contact density) and one loose. Although the simulated agglomerates are relatively coarse-grained, the results obtained are in good agreement with laboratory test results reported in the literature. The computer simulation results show that, in all three types of test, the loose agglomerate cannot fracture as it is unable to store sufficient elastic energy. Instead, it becomes flattened for low loading-rates and shattered or crushed at higher loading-rates. In impact tests, the dense agglomerates experience only local damage at low impact velocities. Semi-brittle fracture and fragmentation are produced over a range of higher impact velocities and at very high impact velocities shattering occurs. The dense agglomerates fracture in two or three large fragments in the diametrical compression tests. Local damage at the agglomerate-platen interface always occurs prior to fracture and consists of local bond breakage (microcrack formation) and local dislocations (compaction). The fracture process is dynamic and much more complex than that suggested by continuum fracture mechanics theory. Cracks are always initiated from the contact zones and propagate towards the agglomerate centre. Fracture occurs a short time after the start of unloading when a fracture crack "selection" process takes place. The detailed investigation of the agglomerate damage processes includes an examination of the evolution of the fracture surface. Detailed comparisons of the behaviour of the same agglomerate in all three types of test are presented. The particle size distribution curves of the debris are also examined, for both free-fall and double impact tests.

Diagenesis and aquifer characteristics of the Sherwood Sandstone Group in North Nottinghamshire

The Sherwood Sandstone Group forms an important aquifer in Eastern England, which in North Nottinghamshire comprises the Nottingham Castle and Lenton Sandstone Formations. The aquifer is formed by an alluvial red-bed sequence dominated by medium-coarse grained sandstones which are texturally immature to submature and have only been subjected to shallow burial diagenesis. These sandstones reached the mature stage of the meso diagenetic regime, and four stages are recognized in their diagenetic history depending upon the physical/chemical processes prevailing and the subsequent effect on porosity and permeability. Stage "One" represents changes including dissolution of unstable silicates, clay replacement, red colouration and precipitation of authigenic minerals (quartz, feldspar, illite, l/S, kaolinite, dolomite, ferroan calcite, calcite). The net result of these changes was porosity reduction. Stage "Two" included changes due to mechanical compaction which resulted in minor porosity reduction. Stage "Three" was the main phase of secondary porosity enhancement. Stage "Four" represents changes taking place in the present groundwater where porosity and permeability may have been increased by dissolution and partly reduced by kaolinite precipitation. Porosity measured by water-resaturation and Hg-injection gave average values of 25.63% and 24.85% respectively. The results are comparable and showed marked correlation especially in highly porous/permeable rocks. Porosity measurements from photomicrographs were markedly offset from laboratory results. Horizontal Kw ranged between 1.43 x 10-5 and 1.13 x 10-1 mm/sec, with an average of  1.68 x 10-2 mm/sec. The estimated KHg ranged between 7.29 x 10-6 and 6.99 x 10-2 mm/sec with an average of 1.47 x 10-2 mm/sec. Both results are significantly correlated for highly porous/permeable rocks. The hydraulic properties are highly dependent upon the diagenetic properties (as most of the pores present are of secondary origin) as well as the pore size distribution. The chemistry of these groundwaters indicates that they are under-saturated with respect to dolomite, calcite, K-feldspar, l/S clay, and montmorillonite. The precipitation of kaolinite,and to a lesser extent illite, is favoured in the present groundwater regime.

T-cell epitope prediction and immune complex simulation using molecular dynamics:state of the art and persisting challenges

Atomistic Molecular Dynamics provides powerful and flexible tools for the prediction and analysis of molecular and macromolecular systems. Specifically, it provides a means by which we can measure theoretically that which cannot be measured experimentally: the dynamic time-evolution of complex systems comprising atoms and molecules. It is particularly suitable for the simulation and analysis of the otherwise inaccessible details of MHC-peptide interaction and, on a larger scale, the simulation of the immune synapse. Progress has been relatively tentative yet the emergence of truly high-performance computing and the development of coarse-grained simulation now offers us the hope of accurately predicting thermodynamic parameters and of simulating not merely a handful of proteins but larger, longer simulations comprising thousands of protein molecules and the cellular scale structures they form. We exemplify this within the context of immunoinformatics.

Effect of cooling rate on intercritically reheated microstructure and toughness in high strength low alloy steel

High strength low alloy steels have been shown to be adversely affected by the existence of regions of poor impact toughness within the heat affected zone (HAZ) produced during multipass welding. One of these regions is the intercritically reheated coarse grained HAZ or intercritical zone. Since this region is generally narrow and discontinuous, of the order of 0.5 mm in width, weld simulators are often employed to produce a larger volume of uniform microstructure suitable for toughness assessment. The steel usedfor this study was a commercial quenched and tempered steel of 450 MN m -2 yield strength. Specimen blanks were subjected to a simulated welding cycle to produce a coarse grained structure of upper bainite during the first thermal cycle, followed by a second thermal cycle where the peak temperature T p2 was controlled. Charpy tests carried out for T p2 values in the range 650-850°C showed low toughness for T p2 values between 760 and 790°C, in the intercritical regime. Microstructural investigation of the development of grain boundary martensite-retained austenite (MA) phase has been coupled with image analysis to measure the volume fraction of MAformed. Most of the MA constituent appears at the prior austenite grain boundaries during intercritical heating, resulting in a 'necklace' appearance. For values of T p2 greater than 790°C the necklace appearance is lost and the second phase areas are observed throughout the structure. Concurrent with this is the development of the fine grained, predominantly ferritic structure that is associated with the improvement in toughness. At this stage the microstructure is transforming from the intercritical regime structure to the supercritically reheated coarse grained HAZ structure. The toughness improvement occurs even though the MA phase is still present, suggesting that the embrittlement is associated with the presence of a connected grain boundary network of the MA phase. The nature of the second phase particles can be controlled by the cooling rate during the second cycle and variesfrom MA phase at high cooling rates to a pearlitic structure at low cooling rates. The lowest toughness of the intercritical zone is observed only when MA phase is present. The reason suggested for this is that only the MA particles debond readily, a number of debonded particles in close proximity providing sufficient stress concentration to initiate local cleavage. © 1993 The Institute of Materials.

Effects of microstructure, temperature and R-ratio on fatigue crack propagation and threshold behaviour in two Ni-base alloys

Fatigue crack propagation and threshold data for two Ni-base alloys, Astroloy and Nimonic 901, are reported. At room temperature the effect which altering the load ratio (R-ratio) has on fatigue behaviour is strongly dependent on grain size. In the coarse grained microstructures crack growth rates increase and threshold values decrease markedly as R rises from 0. 1 to 0. 8, whereas only small changes in behaviour occur in fine grained material. In Astroloy, when strength level and gamma grain size are kept constant, there is very little effect of processing route and gamma prime distribution on room temperature threshold and crack propagation results. The dominant microstructural effect on this type of fatigue behaviour is the matrix ( gamma ) grain size itself.

Polarisation mode dispersion correlations with the coarse-step method

Having a fixed differential-group delay (DGD) term b′ in the coarse-step method results in a repetitive pattern in the autocorrelation function (ACF). We solve this problem by inserting a varying DGD term at each integration step. Furthermore we compute the range of values needed for b′ and simulate the phenomenon of polarisation mode dispersion for different statistical distributions of b′. We examine systematically the modified coarse-step method compared to the analytical model, through our simulation results. © 2006 Elsevier B.V. All rights reserved.

Coarse threat images reveal theta oscillations in the amygdala: a magnetoencephalography study

Neurocognitive models propose a specialized neural system for processing threat-related information, in which the amygdala plays a key role in the analysis of threat cues. fMRI research indicates that the amygdala is sensitive to coarse visual threat relevant information—for example, low spatial frequency (LSF) fearful faces. However, fMRI cannot determine the temporal or spectral characteristics of neural responses. Consequently, we used magnetoencephalography to explore spatiotemporal patterns of activity in the amygdala and cortical regions with blurry (LSF) and normal angry, fearful, and neutral faces. Results demonstrated differences in amygdala activity between LSF threat-related and LSF neutral faces (50-250 msec after face onset). These differences were evident in the theta range (4-8 Hz) and were accompanied by power changes within visual and frontal regions. Our results support the view that the amygdala is involved in the early processing of coarse threat related information and that theta is important in integrating activity within emotion-processing networks.

Numerical implementation of the coarse step method with a varying differential group delay

The effect of having a fixed differential group delay term in the coarse step method results in a periodic pattern in the inserting a varying DGD term at each integration step, according to a Gaussian distribution. Simulation results are given to illustrate the phenomenon and provide some evidence about its statistical nature.

Numerical implementation of the coarse step method with a varying differential group delay

The effect of having a fixed differential-group delay term in the coarse-step method results in a periodic pattern in the autocorrelation function. We solve this problem by inserting a varying DGD term at each integration step, according to a Gaussian distribution. Simulation results are given to illustrate the phenomenon and provide some evidence, about its statistical nature.

Effect of methane concentration in hydrogen plasma on hydrogen impurity incorporation in thick large-grained polycrystalline diamond films

We investigate the impact of methane concentration in hydrogen plasma on the growth of large-grained polycrystalline diamond (PCD) films and its hydrogen impurity incorporation. The diamond samples were produced using high CH4 concentration in H2 plasma and high power up to 4350 W and high pressure (either 105 or 110 Torr) in a microwave plasma chemical vapor deposition (MPCVD) system. The thickness of the free-standing diamond films varies from 165 µm to 430 µm. Scanning electron microscopy (SEM), micro-Raman spectroscopy and Fourier-transform infrared (FTIR) spectroscopy were used to characterize the morphology, crystalline and optical quality of the diamond samples, and bonded hydrogen impurity in the diamond films, respectively. Under the conditions employed here, when methane concentration in the gas phase increases from 3.75% to 7.5%, the growth rate of the PCD films rises from around 3.0 µm/h up to 8.5 µm/h, and the optical active bonded hydrogen impurity content also increases more than one times, especially the two CVD diamond specific H related infrared absorption peaks at 2818 and 2828 cm−1 rise strongly; while the crystalline and optical quality of the MCD films decreases significantly, namely structural defects and non-diamond carbon phase content also increases a lot with increasing of methane concentration. Based on the results, the relationship between methane concentration and diamond growth rate and hydrogen impurity incorporation including the form of bonded infrared active hydrogen impurity in CVD diamonds was analyzed and discussed. The effect of substrate temperature on diamond growth was also briefly discussed. The experimental findings indicate that bonded hydrogen impurity in CVD diamond films mainly comes from methane rather than hydrogen in the gas source, and thus can provide experimental evidence for the theoretical study of the standard methyl species dominated growth mechanism of CVD diamonds grown with methane/hydrogen mixtures.

Coarse-to-fine skeleton extraction for high resolution 3D meshes

This paper presents a novel algorithm for medial surfaces extraction that is based on the density-corrected Hamiltonian analysis of Torsello and Hancock [1]. In order to cope with the exponential growth of the number of voxels, we compute a first coarse discretization of the mesh which is iteratively refined until a desired resolution is achieved. The refinement criterion relies on the analysis of the momentum field, where only the voxels with a suitable value of the divergence are exploded to a lower level of the hierarchy. In order to compensate for the discretization errors incurred at the coarser levels, a dilation procedure is added at the end of each iteration. Finally we design a simple alignment procedure to correct the displacement of the extracted skeleton with respect to the true underlying medial surface. We evaluate the proposed approach with an extensive series of qualitative and quantitative experiments. © 2013 Elsevier Inc. All rights reserved.