Related papers: Assessing Parameterized Geometric Models of Woven …
This article deals with the prediction of thermomechanical properties of fiber reinforced composites using several micromechanics models. These include strength of material approach, Halpin-Tsai equations, multi-phase mechanics of materials…
A voxelization based post-processing algorithm is proposed to analyze the packing of non-spherical particle assemblies simulated using the Discrete Element Method. Voxelization of the particle data allows for isolating the geometric…
For the manufacturing of thin films of solution-processable organic semiconductors, e.g. for organic photovoltaics (OPV), meniscus guided-coating techniques are the method of choice for large-scale industrial applications. However, the…
Accurate molecular property predictions require 3D geometries, which are typically obtained using expensive methods such as density functional theory (DFT). Here, we attempt to obtain molecular geometries by relying solely on machine…
Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…
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…
Accurate simulation of the printing process is essential for improving print quality, reducing waste, and optimizing the printing parameters of extrusion-based additive manufacturing. Traditional additive manufacturing simulations are very…
In this work, we present an efficiently computational approach for designing material micro-structures by means of topology optimization. The central idea relies on using the isogeometric analysis integrated with the parameterized level set…
UV parameterization is a core task in computer graphics, with applications in mesh texturing, remeshing, mesh repair, mesh editing, and more. It is thus an active area of research, which has led to a wide variety of parameterization methods…
Topologies of large deformation Contact-aided Compliant Mechanisms (CCMs), with self and mutual contact, exemplified via path generation applications, are designed using the continuum synthesis approach. Design domains are parameterized…
Coarse-grained modeling in molecular simulations serves not only to extend accessible time and length scales beyond atomistic limits, but also to reduce high-dimensional chemical data to low-dimensional representations that expose the…
Researchers working with mathematical models are often confronted by the related problems of parameter estimation, model validation, and model selection. These are all optimization problems, well-known to be challenging due to…
Defects such as voids are observed at multiple length scales of an additively manufactured composite material. Modeling such defects and their multiscale interaction is crucial for the materials performance prediction. In this work, we…
In this paper an asymptotic homogenization method for the analysis of composite materials with periodic microstructure in presence of thermodiffusion is described. Appropriate down-scaling relations correlating the microscopic fields to the…
Statistical learning methods show great promise in providing an accurate prediction of materials and molecular properties, while minimizing the need for computationally demanding electronic structure calculations. The accuracy and…
This work is concerned with the numerical simulation of ablation of geological materials using a millimetre wave source. To this end, a new mathematical model is developed for a thermal approach to the problem, allowing for large scale…
Mechanical metamaterials leverage geometric design to achieve unconventional properties, such as high strength at low density, efficient wave guiding, and complex shape morphing. The ability to control shape changes builds on the complex…
A refined a priori error analysis of the lowest order (linear) Virtual Element Method (VEM) is developed for approximating a model two dimensional Poisson problem. A set of new geometric assumptions is proposed on shape regularity of…
Predicting material properties of 3D printed polymer products is a challenge in additive manufacturing due to the highly localized and complex manufacturing process. The microstructure of such products is fundamentally different from the…
In computer chip manufacturing, the study of etch patterns on silicon wafers, or metrology, occurs on the nano-scale and is therefore subject to large variation from small, yet significant, perturbations in the manufacturing environment. An…