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The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…
We present a new strategy for introducing population balances into full-chain constitutive models of living polymers with linear chain architectures. We provide equations to describe a range of stress relaxation processes covering both…
This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical…
Multiscale computational modelling is challenging due to the high computational cost of direct numerical simulation by finite elements. To address this issue, concurrent multiscale methods use the solution of cheaper macroscale surrogates…
Reactive molecular dynamics (MD) simulation is performed using a reactive force field (ReaxFF). To this end, we developed a new method to optimize the ReaxFF parameters based on a machine learning approach. This approach combines the…
Given a set of inelastic material models, a microstructure, a macroscopic structural geometry, and a set of boundary conditions, one can in principle always solve the governing equations to determine the system's mechanical response.…
We propose a neural network-based computational framework for the simultaneous optimization of structural topology, curved layers, and path orientations to achieve strong anisotropic strength in fiber-reinforced thermoplastic composites…
The native structures of proteins, except for notable exceptions of intrinsically disordered proteins, in general take their most stable conformation in the physiological condition to maintain their structural framework so that their…
Engineered timber is pivotal to low-carbon construction, but moisture uptake during its service life can compromise structural reliability and impede reuse within a circular economy model. Despite growing interest, quantitative standards…
Predictive computational modeling of polymer materials is necessary for the efficient design of composite materials and the corresponding processing methods. Molecular dynamics (MD) modeling is especially important for establishing accurate…
Predicting potential risks associated with the fatigue of key structural components is crucial in engineering design. However, fatigue often involves entangled complexities of material microstructures and service conditions, making…
This article deals with a viscoplastic material model of overstress type. The model is based on a multiplicative decomposition of the deformation gradient into elastic and inelastic part. An additional multiplicative decomposition of…
Numerous full-field numerical methods exist concerning the digital description of polycrystalline materials and the modeling of their evolution during thermomechanical treatments. However, these strategies are globally dedicated to the…
We present a novel computational paradigm for process design in manufacturing processes that incorporates simulation responses to optimize manufacturing process parameters in high-dimensional temporal and spatial design spaces. We developed…
This work presents a two-stage physics-informed, data-driven constitutive modeling framework for hyperelastic soft materials undergoing progressive damage and failure. The framework is grounded in the concept of hyperelasticity with energy…
The dynamic, real-time, and accurate inference of model parameters from empirical data is of great importance in many scientific and engineering disciplines that use computational models (such as a digital twin) for the analysis and…
Distributed systems often exhibit emergent behaviors that impact their resilience (Franz-Kaiser et al., 2020; Adilson E. Motter, 2002; Jianxi Gao, 2016). This paper presents a theoretical framework combining attributed graph models,…
This article proposes a coupled thermomechanical finite element model tailored to the macroscale simulation of metal additive manufacturing processes such as selective laser melting. A first focus lies on the derivation of a consistent…
Thermoset resin-based composite materials are widely used in the aerospace industry, mainly due to their high stiffness-to-weight and strength-to-weight ratios. A major issue with the use of thermoset resins in fiber composites is the…
Computational Fluid Dynamics (CFD) is a major sub-field of engineering. Corresponding flow simulations are typically characterized by heavy computational resource requirements. Often, very fine and complex meshes are required to resolve…