Deformation Localization in Constrained Layers of Metallic Glasses: A Parametric Modeling Analysis

Localized plastic deformation known as shear banding is a prominent feature in metallic glasses. In this study we perform parametric three-dimensional finite ele- ment analyses, using primarily a thin layer of metallic glass on top of a cylindrical base, to study how physical constraint can affect this localized form of deformation and the corresponding macroscopic stress-strain response. Random perturbation points are added to the metallic glass model to facilitate the formation of shear bands. The modeling result suggests that the mechanical behavior of metallic glasses can be significantly influenced by the geometrical confinement. Under nominally uniaxial compressive loading, a lower thickness-to-diameter ratio results in higher plastic flow stresses. Shear bands tend to concentrate in regions away from the interface with the base material. The findings provide a mechanistic rationale for experimental ob- servations based on the micropillar compression test. The deformation pattern in a multilayered metallic glass structure as well as the deformation pattern in a metallic glas beam subjected to four point bending are also examined

Toward High Fidelity Materials Property Prediction from Multiscale Modeling and Simulation

The current approach to materials discovery and design remains dominated by experimental testing, frequently based on little more than trial and error. With the advent of ever more powerful computers, rapid, reliable, and reproducible computer simulations are beginning to represent a feasible alternative. As high performance computing reaches the exascale, exploiting the resources efficiently presents interesting challenges and opportunities. Multiscale modeling and simulation of materials are extremely promising candidates for exploiting these resources based on the assumption of a separation of scales in the architectures of nanomaterials. Examples of hierarchical and concurrent multiscale approaches are presented which benefit from the weak scaling of monolithic applications, thereby efficiently exploiting large scale computational resources. Several multiscale techniques, incorporating the electronic to the continuum scale, which can be applied to the efficient design of a range of nanocomposites, are discussed. Then the work on the development of a software toolkit designed to provide verification, validation, and uncertainty quantification to support actionable prediction from such calculations is discussed

An explicit GPU-based material point method solver for elastoplastic problems (ep2-3De v1.0)

We propose an explicit GPU-based solver within the material point method (MPM) framework using graphics processing units (GPUs) to resolve elastoplastic problems under two- and three-dimensional configurations (i.e. granular collapses and slumping mechanics). Modern GPU architectures, including Ampere, Turing and Volta, provide a computational framework that is well suited to the locality of the material point method in view of high-performance computing. For intense and non-local computational aspects (i.e. the back-and-forth mapping between the nodes of the background mesh and the material points), we use straightforward atomic operations (the scattering paradigm). We select the generalized interpolation material point method (GIMPM) to resolve the cell-crossing error, which typically arises in the original MPM, because of the C0 continuity of the linear basis function. We validate our GPU-based in-house solver by comparing numerical results for granular collapses with the available experimental data sets. Good agreement is found between the numerical results and experimental results for the free surface and failure surface. We further evaluate the performance of our GPU-based implementation for the three-dimensional elastoplastic slumping mechanics problem. We report (i) a maximum 200-fold performance gain between a CPU- and a single-GPU-based implementation, provided that (ii) the hardware limit (i.e. the peak memory bandwidth) of the device is reached. Furthermore, our multi-GPU implementation can resolve models with nearly a billion material points. We finally showcase an application to slumping mechanics and demonstrate the importance of a three-dimensional configuration coupled with heterogeneous properties to resolve complex material behaviour.</p

Elasto-plastic deformations within a material point framework on modern GPU architectures

Plastic strain localization is an important process on Earth. It strongly influ- ences the mechanical behaviour of natural processes, such as fault mechanics, earthquakes or orogeny. At a smaller scale, a landslide is a fantastic example of elasto-plastic deformations. Such behaviour spans from pre-failure mech- anisms to post-failure propagation of the unstable material. To fully resolve the landslide mechanics, the selected numerical methods should be able to efficiently address a wide range of deformation magnitudes. Accurate and performant numerical modelling requires important compu- tational resources. Mesh-free numerical methods such as the material point method (MPM) or the smoothed-particle hydrodynamics (SPH) are particu- larly computationally expensive, when compared with mesh-based methods, such as the finite element method (FEM) or the finite difference method (FDM). Still, mesh-free methods are particularly well-suited to numerical problems involving large elasto-plastic deformations. But, the computational efficiency of these methods should be first improved in order to tackle complex three-dimensional problems, i.e., landslides. As such, this research work attempts to alleviate the computational cost of the material point method by using the most recent graphics processing unit (GPU) architectures available. GPUs are many-core processors originally designed to refresh screen pixels (e.g., for computer games) independently. This allows GPUs to delivers a massive parallelism when compared to central processing units (CPUs). To do so, this research work first investigates code prototyping in a high- level language, e.g., MATLAB. This allows to implement vectorized algorithms and benchmark numerical results of two-dimensional analysis with analytical solutions and/or experimental results in an affordable amount of time. After- wards, low-level language such as CUDA C is used to efficiently implement a GPU-based solver, i.e., ep2-3De v1.0, can resolve three-dimensional prob- lems in a decent amount of time. This part takes advantages of the massive parallelism of modern GPU architectures. In addition, a first attempt of GPU parallel computing, i.e., multi-GPU codes, is performed to increase even more the performance and to address the on-chip memory limitation. Finally, this GPU-based solver is used to investigate three-dimensional granular collapses and is compared with experimental evidences obtained in the laboratory. This research work demonstrates that the material point method is well suited to resolve small to large elasto-plastic deformations. Moreover, the computational efficiency of the method can be dramatically increased using modern GPU architectures. These allow fast, performant and accurate three- dimensional modelling of landslides, provided that the on-chip memory limi- tation is alleviated with an appropriate parallel strategy

A new three-dimensional mixed finite element for direct numerical simulation of compressible viscoelastic flows with moving free surfaces

The original publication is available at http://www.springer.comInternational audienceTA Mixed Finite Element (MFE) method for 3D non-steady flow of a viscoelastic compressible fluid is presented. It was used to compute polymer injection flows in a complex mold cavity, which involves moving free surfaces. The flow equations were derived from the Navier-Stokes incompressible equations, and we extended a mixed finite element method for incompressible viscous flow to account for compressibility (using the Tait model) and viscoelasticity (using a Pom-Pom like model). The flow solver uses tetrahedral elements and a mixed velocity/pressure/extra-stress/density formulation, where elastic terms are solved by decoupling our system and density variation is implicitly considered. A new DEVSS-like method is also introduced naturally from the MINI-element formulation. This method has the great advantage of a low memory requirement. At each time slab, once the velocity has been calculated, all evolution equations (free surface and material evolution) are solved by a space-time finite element method. This method is a generalization of the discontinuous Galerkin method, that shows a strong robustness with respect to both re-entrant corners and flow front singularities. Validation tests of the viscoelastic and free surface models implementation are shown, using literature benchmark examples. Results obtained in industrial 3D geometries underline the robustness and the efficiency of the proposed method

The 1998 Center for Simulation of Dynamic Response in Materials Annual Technical Report

Introduction: This annual report describes research accomplishments for FY 98 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, tensional, 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 dynamic response of the target materials, and validate these computations against experimental data

Data communication network at the ASRM facility

The main objective of the report is to present the overall communication network structure for the Advanced Solid Rocket Motor (ASRM) facility being built at Yellow Creek near Iuka, Mississippi. This report is compiled using information received from NASA/MSFC, LMSC, AAD, and RUST Inc. As per the information gathered, the overall network structure will have one logical FDDI ring acting as a backbone for the whole complex. The buildings will be grouped into two categories viz. manufacturing critical and manufacturing non-critical. The manufacturing critical buildings will be connected via FDDI to the Operational Information System (OIS) in the main computing center in B 1000. The manufacturing non-critical buildings will be connected by 10BASE-FL to the Business Information System (BIS) in the main computing center. The workcells will be connected to the Area Supervisory Computers (ASCs) through the nearest manufacturing critical hub and one of the OIS hubs. The network structure described in this report will be the basis for simulations to be carried out next year. The Comdisco's Block Oriented Network Simulator (BONeS) will be used for the network simulation. The main aim of the simulations will be to evaluate the loading of the OIS, the BIS, the ASCs, and the network links by the traffic generated by the workstations and workcells throughout the site

High-Resolution Mathematical and Numerical Analysis of Involution-Constrained PDEs

Partial differential equations constrained by involutions provide the highest fidelity mathematical models for a large number of complex physical systems of fundamental interest in critical scientific and technological disciplines. The applications described by these models include electromagnetics, continuum dynamics of solid media, and general relativity. This workshop brought together pure and applied mathematicians to discuss current research that cuts across these various disciplines’ boundaries. The presented material illuminated fundamental issues as well as evolving theoretical and algorithmic approaches for PDEs with involutions. The scope of the material covered was broad, and the discussions conducted during the workshop were lively and far-reaching