Node-to-segment and node-to-surface interface finite elements for fracture mechanics

The topologies of existing interface elements used to discretize cohesive cracks are such that they can be used to compute the relative displacements (displacement discontinuities) of two opposing segments (in 2D) or of two opposing facets (in 3D) belonging to the opposite crack faces and enforce the cohesive traction-separation relation. In the present work we propose a novel type of interface element for fracture mechanics sharing some analogies with the node-to-segment (in 2D) and with the node-to-surface (in 3D) contact elements. The displacement gap of a node belonging to the finite element discretization of one crack face with respect to its projected point on the opposite face is used to determine the cohesive tractions, the residual vector and its consistent linearization for an implicit solution scheme. The following advantages with respect to classical interface finite elements are demonstrated: (i) non-matching finite element discretizations of the opposite crack faces is possible; (ii) easy modelling of cohesive cracks with non-propagating crack tips; (iii) the internal rotational equilibrium of the interface element is assured. Detailed examples are provided to show the usefulness of the proposed approach in nonlinear fracture mechanics problems.Comment: 37 pages, 17 figure

Conventions and workflows for using Situs

Recent developments of the Situs software suite for multi-scale modeling are reviewed. Typical workflows and conventions encountered during processing of biophysical data from electron microscopy, tomography or small-angle X-ray scattering are described

Fe2-homogenization of micromorphic elasto-plastic materials

In this work, a homogenization strategy for a micromorphic–type inelastic material is presented. In the spirit of FE2, a representative volume element is attached to each macroscopic quadrature point. Due to the inherent length scale of the micromorphic continuum, size effects for inelastic behavior are obtained on RVE–level. A focus is placed on the computation of the homogenized algorithmic tangent. It is determined via sensitivity analyses with respect to the boundary conditions imposed on the RVE. Following this procedure, costly single–scale computations with dense meshes can be replaced by a robust homogenization approach with optimal convergence rates

On a virtual element formulation for trusses and beams

The virtual element method (VEM) was developed not too long ago, starting with the paper [2] related to elasticity in solid mechanics. The virtual element method allows to revisit the construction of different elements; however, it has so far not applied to one-dimensional structures like trusses and beams. Here we study several VEM elements suitable for trusses and beams and show that the virtual element methodology produces elements that are equivalent to well-known finite elements but also elements that are different, especially for higher-order ansatz functions. It will be shown that these elements can be easily incorporated in classical finite element codes since they have the same number of unknowns as finite beam elements. Furthermore, the formulation allows to compute nonlinear structural problems undergoing large deflections and rotations. © 2022, The Author(s)

Computational and theoretical aspects of a grain-boundary model at finite deformations

A model to describe the role of grain boundaries in the overall response of a polycrystalline material at small length scales subject to finite deformations is presented. Three alternative thermodynamically consistent plastic flow relations on the grain boundary are derived and compared using a series of numerical experiments. The numerical model is obtained by approximating the governing relations using the finite element method. In addition, the infinitesimal and finite deformation theories are compared, and the limitations of the former made clear

Numerical Geometry of Map and Model Assessment

We are describing best practices and assessment strategies for the atomic interpretation of cryo-electron microscopy (cryo-EM) maps. Multiscale numerical geometry strategies in the Situs package and in secondary structure detection software are currently evolving due to the recent increases in cryo-EM resolution. Criteria that aim to predict the accuracy of fitted atomic models at low (worse than 8 angstrom) and medium (4-8 angstrom) resolutions remain challenging. However, a high level of confidence in atomic models can be achieved by combining such criteria. The observed errors are due to map-model discrepancies and due to the effect of imperfect global docking strategies. Extending the earlier motion capture approach developed for flexible fitting, we use simulated fiducials (pseudoatoms) at varying levels of coarse-graining to track the local drift of structural features. We compare three tracking approaches: naive vector quantization, a smoothly deformable model, and a tessellation of the structure into rigid Voronoi cells, which are fitted using a multi-fragment refinement approach. The lowest error is an upper bound for the (small) discrepancy between the crystal structure and the EM map due to different conditions in their structure determination. When internal features such as secondary structures are visible in medium-resolution EM maps, it is possible to extend the idea of point-based fiducials to more complex geometric representations such as helical axes, strands, and skeletons. We propose quantitative strategies to assess map-model pairs when such secondary structure patterns are prominent

11/07/1994 - Balanced Man Scholarship Joshua Renken.pdf

this paper, a method is proposed to define the geometrical contact constraints. Within this treatment one has the possibility to define locally the contact parameters for an accurate treatment of contact constraints. Local values of the geometrical variables can be determined at the integration points, hence the method permits to integrate contact constitutive laws along contact segments. The weak form for this new formulation is developed. Furthermore, also the consistent linearization is carried out. Finally a technique is proposed to reduce the large number of terms involved. In this case, an almost consistent tangent stiffness is determined. @ 1998 Elsevier Science Ltd. All rights reserved