相关论文: $\mu$2mech: a Software Package Combining Microstru…

In this work, a numerical simulation framework is presented based on the Phase Field Method that is able to capture the evolution of heterogeneous metallic microstructures during solidification. The involved physics can prove especially…

Microstructures, characterized by intricate structures at the microscopic scale, hold the promise of important disruptions in the field of mechanical engineering due to the superior mechanical properties they offer. One fundamental…

CompHEP is a package for automatic calculations of elementary particle decay and collision properties in the lowest order of perturbation theory (the tree approximation). The main idea prescribed into the CompHEP is to make available…

This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the…

Accelerating materials development requires quantitative linkages between processing, microstructure, and properties. In this work, we introduce a framework for mapping microstructure onto a low-dimensional material manifold that is…

Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…

Random microstructures of heterogeneous materials play a crucial role in the material macroscopic behavior and in predictions of its effective properties. A common approach to modeling random multiphase materials is to develop so-called…

Fracture mechanics is crucial for many fields of engineering, as precisely predicting failure of structures and parts is required for efficient designs. The simulation of failure processes is, from a mechanical and a numerical point of…

We have developed a finite-element micromagnetic simulation code based on the FEniCS package called magnum.fe. Here we describe the numerical methods that are applied as well as their implementation with FEniCS. We apply a transformation…

Pore-scale simulations accurately describe transport properties of fluids in the subsurface. These simulations enhance our understanding of applications such as assessing hydrogen storage efficiency and forecasting CO$_2$ sequestration…

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…

We describe the computer algebra software package SpectralSequences for the computer algebra system Macaulay2. This package implements many data types, objects and algorithms which pertain to, among other things, filtered complexes,…

In this work, we develop intuitive controls for editing the style of 3D objects. Our framework, Text2Mesh, stylizes a 3D mesh by predicting color and local geometric details which conform to a target text prompt. We consider a disentangled…

This chapter provides a brief introduction to the theory and practice of spatial stochastic simulations. It begins with an overview of different methods available for biochemical simulations highlighting their strengths and limitations.…

We present a computational framework for the simulations of powder-bed fusion of metallic alloys, which combines: (1) CalPhaD calculations of temperature-dependent alloy properties and phase diagrams, (2) macroscale finite element (FE)…

Although Raman spectroscopy is widely used for the investigation of biomedical samples and has a high potential for use in clinical applications, it is not common in clinical routines. One of the factors that obstruct the integration of…

Mapping microstructure to properties is central to materials science. Perhaps most famously, the Hall-Petch relationship relates average grain size to strength. More challenging has been deriving relationships for properties that depend on…

Uncertainty quantification (UQ) plays a critical role in verifying and validating forward integrated computational materials engineering (ICME) models. Among numerous ICME models, the crystal plasticity finite element method (CPFEM) is a…

Quantifying the relationship between geometric descriptors of microstructure and effective properties like permeability is essential for understanding and improving the behavior of porous materials. In this paper, we employ a previously…