The AFLOW Fleet for Materials Discovery

The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the deployment of new technologies, the AFLOW Fleet for computational materials design automates high-throughput first principles calculations, and provides tools for data verification and dissemination for a broad community of users. AFLOW incorporates different computational modules to robustly determine thermodynamic stability, electronic band structures, vibrational dispersions, thermo-mechanical properties and more. The AFLOW data repository is publicly accessible online at aflow.org, with more than 1.7 million materials entries and a panoply of queryable computed properties. Tools to programmatically search and process the data, as well as to perform online machine learning predictions, are also available.Comment: 14 pages, 8 figure

Nanoscale diffractive probing of strain dynamics in ultrafast transmission electron microscopy

The control of optically driven high-frequency strain waves in nanostructured systems is an essential ingredient for the further development of nanophononics. However, broadly applicable experimental means to quantitatively map such structural distortion on their intrinsic ultrafast time and nanometer length scales are still lacking. Here, we introduce ultrafast convergent beam electron diffraction (U-CBED) with a nanoscale probe beam for the quantitative retrieval of the time-dependent local distortion tensor. We demonstrate its capabilities by investigating the ultrafast acoustic deformations close to the edge of a single-crystalline graphite membrane. Tracking the structural distortion with a 28-nm/700-fs spatio-temporal resolution, we observe an acoustic membrane breathing mode with spatially modulated amplitude, governed by the optical near field structure at the membrane edge. Furthermore, an in-plane polarized acoustic shock wave is launched at the membrane edge, which triggers secondary acoustic shear waves with a pronounced spatio-temporal dependency. The experimental findings are compared to numerical acoustic wave simulations in the continuous medium limit, highlighting the importance of microscopic dissipation mechanisms and ballistic transport channels

Visco-hyperelastic model with damage for simulating cyclic thermoplastic elastomers behavior applied to an industrial component

In this work a nonlinear phenomenological visco-hyperelastic model including damage consideration is developed to simulate the behavior of Santoprene 101-73 material. This type of elastomeric material is widely used in the automotive and aeronautic sectors, as it has multiple advantages. However, there are still challenges in properly analyzing the mechanical phenomena that these materials exhibit. To simulate this kind of material a lot of theories have been exposed, but none of them have been endorsed unanimously. In this paper, a new model is presented based on the literature, and on experimental data. The test samples were extracted from an air intake duct component of an automotive engine. Inelastic phenomena such as hyperelasticity, viscoelasticity and damage are considered singularly in this model, thus modifying and improving some relevant models found in the literature. Optimization algorithms were used to find out the model parameter values that lead to the best fit of the experimental curves from the tests. An adequate fitting was obtained for the experimental results of a cyclic uniaxial loading of Santoprene 101-73

Actuator and Sensor Fault Classification for Wind Turbine Systems Based on Fast Fourier Transform and Uncorrelated Multi-Linear Principal Component Analysis Techniques

In response to the high demand of the operation reliability and predictive maintenance, health monitoring and fault diagnosis and classification have been paramount for complex industrial systems (e.g., wind turbine energy systems). In this study, data-driven fault diagnosis and fault classification strategies are addressed for wind turbine energy systems under various faulty scenarios. A novel algorithm is addressed by integrating fast Fourier transform and uncorrelated multi-linear principal component analysis techniques in order to achieve effective three-dimensional space visualization for fault diagnosis and classification under a variety of actuator and sensor faulty scenarios in 4.8 MW wind turbine benchmark systems. Moreover, comparison studies are implemented by using multi-linear principal component analysis with and without fast Fourier transform, and uncorrelated multi-linear principal component analysis with and without fast Fourier transformation data pre-processing, respectively. The effectiveness of the proposed algorithm is demonstrated and validated via the wind turbine benchmark

The 1999 Center for Simulation of Dynamic Response in Materials Annual Technical Report

Introduction: This annual report describes research accomplishments for FY 99 of the Center for Simulation of Dynamic Response of Materials. The Center is constructing a virtual shock physics facility in which the full three dimensional response of a variety of target materials can be computed for a wide range of compressive, ten- sional, and shear loadings, including those produced by detonation of energetic materials. The goals are to facilitate computation of a variety of experiments in which strong shock and detonation waves are made to impinge on targets consisting of various combinations of materials, compute the subsequent dy- namic response of the target materials, and validate these computations against experimental data

Rheological Model for Wood

Wood as the most important natural and renewable building material plays an important role in the construction sector. Nevertheless, its hygroscopic character basically affects all related mechanical properties leading to degradation of material stiffness and strength over the service life. Accordingly, to attain reliable design of the timber structures, the influence of moisture evolution and the role of time- and moisture-dependent behaviors have to be taken into account. For this purpose, in the current study a 3D orthotropic elasto-plastic, visco-elastic, mechano-sorptive constitutive model for wood, with all material constants being defined as a function of moisture content, is presented. The corresponding numerical integration approach, with additive decomposition of the total strain is developed and implemented within the framework of the finite element method (FEM). Moreover to preserve a quadratic rate of asymptotic convergence the consistent tangent operator for the whole model is derived. Functionality and capability of the presented material model are evaluated by performing several numerical verification simulations of wood components under different combinations of mechanical loading and moisture variation. Additionally, the flexibility and universality of the introduced model to predict the mechanical behavior of different species are demonstrated by the analysis of a hybrid wood element. Furthermore, the proposed numerical approach is validated by comparisons of computational evaluations with experimental results.Comment: 37 pages, 13 figures, 10 table