Damage Diagnosis of Single-Layer Latticed Shell Based on Temperature-Induced Strain under Bayesian Framework.

Under the framework of Bayesian theory, a probabilistic method for damage diagnosis of latticed shell structures based on temperature-induced strain is proposed. First, a new damage diagnosis index is proposed based on the correlation between temperature-induced strain and structural parameters. Then, Markov Chain Monte Carlo is adopted to analyze the newly proposed diagnosis index, based on which the frequency distribution histogram for the posterior probability of the diagnosis index is obtained. Finally, the confidence interval of the damage diagnosis is determined by the posterior distribution of the initial state (baseline condition). The damage probability of the unknown state is also calculated. The proposed method was validated by applying it to a latticed shell structure with finite element developed, where the rod damage and bearing failure were diagnosed based on importance analysis and temperature sensitivity analysis of the rod. The analysis results show that the proposed method can successfully consider uncertainties in the strain response monitoring process and effectively diagnose the failure of important rods in radial and annular directions, as well as horizontal (x- and y-direction) bearings of the latticed shell structure.

hdANM: a new comprehensive dynamics model for protein hinges.

Hinge motions are essential for many protein functions, and their dynamics are important to understand underlying biological mechanisms. The ways that these motions are represented by various computational methods differ significantly. By focusing on a specific class of motion, we have developed a new hinge-domain anisotropic network model (hdANM) that is based on the prior identification of flexible hinges and rigid domains in the protein structure and the subsequent generation of global hinge motions. This yields a set of motions in which the relative translations and rotations of the rigid domains are modulated and controlled by the deformation of the flexible hinges, leading to a more restricted, specific view of these motions. hdANM is the first model, to our knowledge, that combines information about protein hinges and domains to model the characteristic hinge motions of a protein. The motions predicted with this new elastic network model provide important conceptual advantages for understanding the underlying biological mechanisms. As a matter of fact, the generated hinge movements are found to resemble the expected mechanisms required for the biological functions of diverse proteins. Another advantage of this model is that the domain-level coarse graining makes it significantly more computationally efficient, enabling the generation of hinge motions within even the largest molecular assemblies, such as those from cryo-electron microscopy. hdANM is also comprehensive as it can perform in the same way as the well-known protein dynamics models (anisotropic network model, rotations-translations of blocks, and nonlinear rigid block normal mode analysis), depending on the definition of flexible and rigid parts in the protein structure and on whether the motions are extrapolated in a linear or nonlinear fashion. Furthermore, our results indicate that hdANM produces more realistic motions as compared to the anisotropic network model. hdANM is an open-source software, freely available, and hosted on a user-friendly website.

Low-Frequency Harmonic Perturbations Drive Protein Conformational Changes.

Protein dynamics has been investigated since almost half a century, as it is believed to constitute the fundamental connection between structure and function. Elastic network models (ENMs) have been widely used to predict protein dynamics, flexibility and the biological mechanism, from which remarkable results have been found regarding the prediction of protein conformational changes. Starting from the knowledge of the reference structure only, these conformational changes have been usually predicted either by looking at the individual mode shapes of vibrations (i.e., by considering the free vibrations of the ENM) or by applying static perturbations to the protein network (i.e., by considering a linear response theory). In this paper, we put together the two previous approaches and evaluate the complete protein response under the application of dynamic perturbations. Harmonic forces with random directions are applied to the protein ENM, which are meant to simulate the single frequency-dependent components of the collisions of the surrounding particles, and the protein response is computed by solving the dynamic equations in the underdamped regime, where mass, viscous damping and elastic stiffness contributions are explicitly taken into account. The obtained motion is investigated both in the coordinate space and in the sub-space of principal components (PCs). The results show that the application of perturbations in the low-frequency range is able to drive the protein conformational change, leading to remarkably high values of direction similarity. Eventually, this suggests that protein conformational change might be triggered by external collisions and favored by the inherent low-frequency dynamics of the protein structure.

Structural compliance: A new metric for protein flexibility.

Proteins are the active players in performing essential molecular activities throughout biology, and their dynamics has been broadly demonstrated to relate to their mechanisms. The intrinsic fluctuations have often been used to represent their dynamics and then compared to the experimental B-factors. However, proteins do not move in a vacuum and their motions are modulated by solvent that can impose forces on the structure. In this paper, we introduce a new structural concept, which has been called the structural compliance, for the evaluation of the global and local deformability of the protein structure in response to intramolecular and solvent forces. Based on the application of pairwise pulling forces to a protein elastic network, this structural quantity has been computed and sometimes is even found to yield an improved correlation with the experimental B-factors, meaning that it may serve as a better metric for protein flexibility. The inverse of structural compliance, namely the structural stiffness, has also been defined, which shows a clear anticorrelation with the experimental data. Although the present applications are made to proteins, this approach can also be applied to other biomolecular structures such as RNA. This present study considers only elastic network models, but the approach could be applied further to conventional atomic molecular dynamics. Compliance is found to have a slightly better agreement with the experimental B-factors, perhaps reflecting its bias toward the effects of local perturbations, in contrast to mean square fluctuations. The code for calculating protein compliance and stiffness is freely accessible at https://jerniganlab.github.io/Software/PACKMAN/Tutorials/compliance.

The Sacred Mountain of Varallo in Italy: seismic risk assessment by acoustic emission and structural numerical models.

We examine an application of Acoustic Emission (AE) technique for a probabilistic analysis in time and space of earthquakes, in order to preserve the valuable Italian Renaissance Architectural Complex named "The Sacred Mountain of Varallo." Among the forty-five chapels of the Renaissance Complex, the structure of the Chapel XVII is of particular concern due to its uncertain structural condition and due to the level of stress caused by the regional seismicity. Therefore, lifetime assessment, taking into account the evolution of damage phenomena, is necessary to preserve the reliability and safety of this masterpiece of cultural heritage. A continuous AE monitoring was performed to assess the structural behavior of the Chapel. During the monitoring period, a correlation between peaks of AE activity in the masonry of the "Sacred Mountain of Varallo" and regional seismicity was found. Although the two phenomena take place on very different scales, the AE in materials and the earthquakes in Earth's crust, belong to the same class of invariance. In addition, an accurate finite element model, performed with DIANA finite element code, is presented to describe the dynamic behavior of Chapel XVII structure, confirming visual and instrumental inspections of regional seismic effects.

A study by the lattice discrete element method for exploring the fractal nature of scale effects.

Nowadays, there are many applications in the field of Engineering related to quasi-brittle materials such as ceramics, natural stones, and concrete, among others. When damage is produced, two phenomena can take place: the damage produced governs the collapse process when working with this type of material, and its random nature rules the nonlinear behavior up to the collapse. The interaction among clouds of micro-cracks generates the localization process that implies transforming a continuum domain into a discontinue one. This process also governs the size effect, that is, the changes of the global parameters as the strength and characteristic strain and energies when the size of the structure changes. Some aspects of the scaling law based on the fractal concepts proposed by Prof Carpinteri are analyzed in this work. On the other hand, the Discrete Method is an interesting option to be used in the simulation collapse process of quasi-brittle materials. This method can allow failures with relative ease. Moreover, it can also help to relax the continuum hypothesis. In the present work, a version of the Discrete Element Method is used to simulate the mechanical behavior of different size specimens until collapse by analyzing the size effect represented by this method. This work presents two sets of examples. Its results allow the researchers to see the connection between the numerical results regarding the size effect and the theoretical law based on the fractal dimension of the parameter studied. Two main aspects appear as a result of the analysis presented here. Understand better some aspects of the size effect using the numerical tool and show that the Lattice Discrete Element Method has enough robustness to be applied in the nonlinear analysis of structures built by quasi-brittle materials.

Fatigue Characteristics of 7050-T7451 Aluminum Alloy Friction Stir Welding Joints and the Stress Ratio Effect.

The fatigue crack initiation and growth characteristics in 7050-T7451 aluminum alloy butt joints subjected to different stress ratios and owing to friction stir welding (FSW) were investigated using fatigue tests for stress ratios of 0.1, 0.3, and 0.5. The difference between the fatigue crack initiation in the base material (BM) and FSW joints, related to coarse secondary phases, was explored using scanning electron microscopy (SEM). Accordingly, Al23CuFe4, Al7Cu2Fe, and Al2Mg3Zn3 were the preferred joint crack initiation locations, whereas Mg2Si was the major fracture initiation point of the parent material, and cracks tended to propagate along dense, coarse secondary phases, becoming more pronounced for larger cracks. In addition, as the stress ratio increased, non-Mg2Si phase fracture initiation points appeared in the BM. Meanwhile, the quantity of non-Mg2Si phases in the joints continued to increase, and the crack initiation sites became increasingly concentrated in the TMAZ-HAZ region.

Design and Mechanical Characterization Using Digital Image Correlation of Soft Tissue-Mimicking Polymers.

Present and future anatomical models for biomedical applications will need bio-mimicking three-dimensional (3D)-printed tissues. These would enable, for example, the evaluation of the quality-performance of novel devices at an intermediate step between ex-vivo and in-vivo trials. Nowadays, PolyJet technology produces anatomical models with varying levels of realism and fidelity to replicate organic tissues. These include anatomical presets set with combinations of multiple materials, transitions, and colors that vary in hardness, flexibility, and density. This study aims to mechanically characterize multi-material specimens designed and fabricated to mimic various bio-inspired hierarchical structures targeted to mimic tendons and ligaments. A Stratasys® J750™ 3D Printer was used, combining the Agilus30™ material at different hardness levels in the bio-mimicking configurations. Then, the mechanical properties of these different options were tested to evaluate their behavior under uni-axial tensile tests. Digital Image Correlation (DIC) was used to accurately quantify the specimens' large strains in a non-contact fashion. A difference in the mechanical properties according to pattern type, proposed hardness combinations, and matrix-to-fiber ratio were evidenced. The specimens V, J1, A1, and C were selected as the best for every type of pattern. Specimens V were chosen as the leading combination since they exhibited the best balance of mechanical properties with the higher values of Modulus of elasticity (2.21 ± 0.17 MPa), maximum strain (1.86 ± 0.05 mm/mm), and tensile strength at break (2.11 ± 0.13 MPa). The approach demonstrates the versatility of PolyJet technology that enables core materials to be tailored based on specific needs. These findings will allow the development of more accurate and realistic computational and 3D printed soft tissue anatomical solutions mimicking something much closer to real tissues.

Criticality Hidden in Acoustic Emissions and in Changing Electrical Resistance during Fracture of Rocks and Cement-Based Materials.

Acoustic emissions (AE) due to microcracking in solid materials permit the monitoring of fracture processes and the study of failure dynamics. As an alternative method of integrity assessment, measurements of electrical resistance can be used as well. In the literature, however, many studies connect the notion of criticality with AE originating from the fracture, but not with the changes in the electrical properties of materials. In order to further investigate the possible critical behavior of fracture processes in rocks and cement-based materials, we apply natural time (NT) analysis to the time series of AE and resistance measurements, recorded during fracture experiments on cement mortar (CM) and Luserna stone (LS) specimens. The NT analysis indicates that criticality in terms of electrical resistance changes systematically precedes AE criticality for all investigated specimens. The observed greater unpredictability of the CM fracture behavior with respect to LS could be ascribed to the different degree of material homogeneity, since LS (heterogeneous material) expectedly offers more abundant and more easily identifiable fracture precursors than CM (homogenous material). Non-uniqueness of the critical point by varying the detection threshold of cracking events is apparently due to finite size effects which introduce deviations from the self-similarity.

Terahertz vibration modes in Na/K-ATPase.

Mechanical vibration in the Terahertz range is believed to be connected with protein functions. In this paper, we present the results of a normal-mode analysis (modal analysis) of a Na/K-ATPase all-atom model, focusing the attention on low-frequency vibration modes. The numerical model helps in the interpretation of experimental results previously obtained by the authors via Raman spectroscopy of Na/K-ATPase samples, where several unassigned peaks were found in the sub-500 cm-1 range. In particular, vibration modes corresponding to peaks at 27, 190 and 300 cm-1, found experimentally, are confirmed here numerically, together with some other modes at lower frequencies (wavenumbers) that were not possible to observe in the experimental test. All the aforementioned modes correspond to vibrations involving the protein ends, i.e. portions directly related to the operating mechanism of the sodium-potassium pump.