Related papers: Toward a virtual material for lifetime prediction …
A first step toward a multi-scale and multi-physic model --a virtual material-- for self-healing ceramic matrix composites is presented. Each mechanism --mechanical, chemical-- that act on the material's lifetime at a given scale --fibre,…
The manufacturing process of Sheet Molding Compound (SMC) influences the properties of a component in a non-deterministic fashion. To predict this influence on the mechanical performance, we develop a virtual process chain acting as a…
When they are damaged or injured, soft biological tissues are able to self-repair and heal. Mechanics is critical during the healing process, as the damaged extracellular matrix (ECM) tends to be replaced with a new undamaged ECM supporting…
This paper presents a hybrid continuum discrete macro modelling strategy with a multiscale calibration procedure for realistic simulations of brick masonry bridges. The response of these structures is affected by the intrinsic nonlinearity…
Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On…
A time-dependent modeling framework for autogenous self-healing concrete that couples moisture diffusion with damage evolution was developed. Water transport follows Fick's second law with a damage-dependent diffusivity obtained by…
In this thesis, a computational framework for microstructural modelling of transverse behaviour of heterogeneous materials is presented. The context of this research is part of the broad and active field of Computational Micromechanics,…
Virtual cell modeling aims to predict cellular responses to perturbations. Existing virtual cell models rely heavily on large-scale single-cell datasets, learning explicit mappings between gene expression and perturbations. Although recent…
In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…
Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…
Seamless human robot interaction (HRI) and cooperative human-robot (HR) teaming critically rely upon accurate and timely human mental workload (MW) models. Cognitive Load Theory (CLT) suggests representative physical environments produce…
Decades of hardware, methodological, and algorithmic development have propelled molecular dynamics (MD) simulations to the forefront of materials-modeling techniques, bridging the gap between electronic-structure theory and continuum…
This paper addresses the numerical simulation of self-piercing rivetting processes to join fibre reinforced polymers and sheet metals. Special emphasis is placed on the modelling of the deformation and failure behaviour of the composite…
Materials with network-like microstructure, including polymers, are the backbone for many natural and human-made materials such as gels, biological tissues, metamaterials, and rubbers. Fracture processes in these networked materials are…
Multiscale modeling of material properties has emerged as one of the grand challenges in material science and engineering. We provide a comprehensive, though not exhaustive, overview of the current status of multiscale simulations of…
This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…
The Computing Community Consortium (CCC) sponsored a workshop on "Robotic Materials" in Washington, DC, that was held from April 23-24, 2018. This workshop was the second in a series of interdisciplinary workshops aimed at transforming our…
During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize…
Quaternary phases formed in copper alloys are investigated through a combination of quantum-mechanical and classical computer simulations and active machine learning. Focus is given on nickel, silicon, and chromium impurities in a copper…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…