A MICROSTRUCTURE-BASED MODEL VALIDATED EXPERIMENTALLY FOR QUANTIFICATION OF SHORT FATIGUE CRACK GROWTH IN THREE-DIMENSIONS

Built on the recent successes in understanding the crystallographic mechanism for short fatigue crack (SFC) growth across a grain boundary (GB) and developing an experimental method to quantify the GB resistance against short crack growth, a microstructure-based model was developed in this study to simulate the growth behaviors of SFCs in 3-D, by taking into account both the driving force and resistance along at each point along the crack front in an alloy. It was found that the GB resistance was a Weibull function of the minimum twist angle of crack deflection at the boundary in AA2024-T3 Al alloys. In the digital microstructure used in the model, the resistance at each GB that the short crack interacted with could be calculated, as long as the orientations of grains and the crack were known. In the model, an influence function accounting for the overlapping effect of the resistance from the neighboring grain boundaries was proposed, allowing for calculation of the total resistance distribution along the crack front. In order to overcome the time consuming problem for the existing equations to derive the distribution of stress intensity factor along the crack front under cyclic loading, an analytical equation was proposed to quantify the stress intensity factor distribution along an irregular shape planar crack. By introducing two shape-dependent factors, the fractured area and the perimeter of the crack front, the newly proposed equation could readily and accurately derive the stress intensity factor distribution along the crack front that had large curvatures and singularities. Finally, a microscopic-scale Paris’ equation was proposed that took into account both the driving force, i.e., stress intensity factor range, and the total resistance to calculate the growth rate at each point along crack front. The model developed in this work was able to incorporate microstructure, such as grain size and shape, and texture into simulation of SFC growth in 3-D. It was capable of simulating all the anomalous growth behaviors of SFCs, such as the marked scatters in growth rate measurement, retardation and arrest at grain boundaries, and crack plane deflection at grain boundaries, etc. The model was used to simulate the growth behaviors of SFCs initiated from prefractured constituent particles in order to interpret the multi-site fatigue crack initiation observed in AA2024-T351 Al alloys. Three types of SFCs were observed initiating from these particles, namely, type-I non-propagating cracks; type-II cracks which were arrested soon after propagating into the matrix; and type-III propagating cracks. To quantitatively study the 3-D effects of particle geometry and micro-texture on the growth behaviors of micro-cracks in these particles, rectangular micro-notches with different dimensions were fabricated using focused ion beam in the selected grains on the T-S planes in AA2024-T351 Al alloys, to mimic the pre-fractured particles in these alloys. Knowing the notch dimensions or particle shape, grain orientation and GB geometry, the simulated crack growth behaviors were consistent with the experimental observations, and the model was able to verify that the three types of cracks evolved from these particles were mainly associated with the thickness and width of the pre-fractured particles, though the particle geometry and grain orientation could also affect the behaviors of fatigue crack initiation at the particles. When the widths of the particles were less than 15 μm, like in most high strength Al alloys, the simulated results confirmed that the crack type was only associated with the particle thickness, consistent with the experimental results in AA2024-T351 alloys with a strong rolling texture. The lives for the SFCs to reach 0.5 mm in length were quantified with the model in the AA2024 alloy, revealing that there was a bimodal distribution in the life spectrum calculated, with the longer life peak being related to larger twist angles of crack deflection at the first GB the cracks encountered and the shorter life peak being associated with small twist angles (\u3c 5°) at the first GB. The model further demonstrated the influence of grain structure on SFC growth by considering two different grain structures with the same initial short crack, namely, a layered grain structure with only the primary GBs perpendicular to the surface and the layered grains with both primary and secondary GBs. Depending on their positions and geometry, the secondary GBs could still exert a strong retarding effect on SFC growth on surface. The model was validated by matching to the growth rate measured on surface of a SFC in an AA8090 Al-Li alloy. Good consistency was achieved between the simulated and experimentally measured growth rates when both the primary and secondary GBs were considered in the model. The model developed in this study exhibits its potential applications to optimizing the microstructure and texture in alloys to enhance their fatigue resistance against fatigue crack growth, and to satisfactory life prediction of engineering alloys

Vibrational analysis of planetary gear trains by finite element method

Planetary gear trains produce several advantages, including high speed reduction, compactness, greater load sharing and higher torque to weight ratio, which are used widely in wind turbine, automobiles, robot and other applications. In some important transmission applications, the noise and vibration are key concerns in design. In this paper, a 3D dynamic contact and impact analysis model of planetary gear trains has been proposed. Tooth surface friction, backlash, tolerance of peg hole, and time-varying stiffness were considered in this dynamic model. The ANSYS / LS-DYNA were utilized to analyze the dynamic responses of gear transmission of the planetary gears. The vibration behavior of an actual gear set under dynamic loading was simulated in the dynamic model. The stiffness and elastic deformation of gear teeth are calculated using the finite element method with actual geometry and positions of the gears. The time-varying position of the carrier defined as the vibration and noise source. After impact analysis, the numerical results of vibration of carrier involved with the transient and steady states. Through the Fast Fourier Transform (FFT) methods, frequency spectrums of the transient and steady states of the calculated vibration of planet carrier are obtained for the gearbox designer to avoid the resonance zone

Reconstruction of ancestral protein sequences and its applications

BACKGROUND: Modern-day proteins were selected during long evolutionary history as descendants of ancient life forms. In silico reconstruction of such ancestral protein sequences facilitates our understanding of evolutionary processes, protein classification and biological function. Additionally, reconstructed ancestral protein sequences could serve to fill in sequence space thus aiding remote homology inference. RESULTS: We developed ANCESCON, a package for distance-based phylogenetic inference and reconstruction of ancestral protein sequences that takes into account the observed variation of evolutionary rates between positions that more precisely describes the evolution of protein families. To improve the accuracy of evolutionary distance estimation and ancestral sequence reconstruction, two approaches are proposed to estimate position-specific evolutionary rates. Comparisons show that at large evolutionary distances our method gives more accurate ancestral sequence reconstruction than PAML, PHYLIP and PAUP*. We apply the reconstructed ancestral sequences to homology inference and functional site prediction. We show that the usage of hypothetical ancestors together with the present day sequences improves profile-based sequence similarity searches; and that ancestral sequence reconstruction methods can be used to predict positions with functional specificity. CONCLUSIONS: As a computational tool to reconstruct ancestral protein sequences from a given multiple sequence alignment, ANCESCON shows high accuracy in tests and helps detection of remote homologs and prediction of functional sites. ANCESCON is freely available for non-commercial use. Pre-compiled versions for several platforms can be downloaded from

Duplication and Remolding of tRNA Genes in the Mitochondrial Genome of \u3cem\u3eReduvius tenebrosus\u3c/em\u3e (Hemiptera: Reduviidae)

Most assassin bugs are predators that act as important natural enemies of insect pests. Mitochondrial (mt) genomes of these insects are double-strand circular DNAs that encode 37 genes. In the present study, we explore the duplication and rearrangement of tRNA genes in the mt genome of Reduvius tenebrosus, the first mt genome from the subfamily Reduviinae. The gene order rearranges from CR (control region)-trnI-trnQ-trnM-ND2 to CR-trnQ-trnI2-trnI1-trnM-ND2. We identified 23 tRNA genes, including 22 tRNAs commonly found in insects and an additional trnI (trnI2), which has high sequence similarity to trnM. We found several pseudo genes, such as pseudo-trnI, pseudo-CR, and pseudo-ND2, in the hotspot region of gene rearrangement (between the control region and ND2). These features provided evidence that this novel gene order could be explained by the tandem duplication/random loss (TDRL) model. The tRNA duplication/anticodon mutation mechanism further explains the presence of trnI2, which is remolded from a duplicated trnM in the TDRL process (through an anticodon mutation of CAT to GAT). Our study also raises new questions as to whether the two events proceed simultaneously and if the remolded tRNA gene is fully functional. Significantly, the duplicated tRNA gene in the mitochondrial genome has evolved independently at least two times within assassin bugs

Poly[di-μ2-azido-μ3-pyrazine-2-carboxyl­ato-cadmium(II)]

The title compound, [Cd(C5H3N2O2)(N3)]n, has been pre­pared by the reaction of pyrazine-2-carboxylic acid, cadmium(II) nitrate and sodium azide. In the structure, the CdII atom is six-coordinated by two azide anions and three pyrazine-2-carboxyl­ate ligands. Each pyrazine-2-carboxyl­ate ligand bridges three CdII atoms, whereas the azide ligand bridges two CdII atoms, resulting in the formation of a two-dimensional metal–organic polymer developing parallel to the (100) plane