相关论文: $\mu$2mech: a Software Package Combining Microstru…
Artificial intelligence is beginning to reduce the manual effort in the CAD-to-mesh pipeline. Written for meshing and geometry practitioners with limited AI background, this survey organizes recent work by workflow step. We cover part…
Microstructure.jl is a Julia package designed for probabilistic estimation of tissue microstructural parameters from diffusion or combined diffusion-relaxometry MRI data. It provides a flexible and extensible framework for defining…
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…
CalcHEP is a package for computation of Feynman diagrams and integration over multi-particle phase space. The main idea prescribed into CalcHEP is to make available passing on from Lagrangians to the final distributions effectively with a…
We present celmech, an open-source Python package designed to facilitate a wide variety of celestial mechanics calculations. The package allows users to formulate and integrate equations of motion incorporating user-specified terms from the…
Thermal multi-phase flow simulations are indispensable to understanding the multi-scale and multi-physics phenomena in metal additive manufacturing (AM) processes, yet accurate and robust predictions remain challenging. This book chapter…
In this work, sequence-to-sequence (seq2seq) models, originally developed for language translation, are used to predict the temporal evolution of complex, multi-physics computer simulations. The predictive performance of seq2seq models is…
The traditional workflow in continuum mechanics simulations is that a geometry description -- for example obtained using Constructive Solid Geometry or Computer Aided Design tools -- forms the input for a mesh generator. The mesh is then…
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…
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…
A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…
Modern 'smart' materials have complex heterogeneous microscale structure, often with unknown macroscale closure but one we need to realise for large scale engineering and science. The multiscale Equation-Free Patch Scheme empowers us to…
Clinical decision-making relies on the integration of information across various data modalities, such as clinical time-series, medical images and textual reports. Compared to other domains, real-world medical data is heterogeneous in…
In the context of high performance finite element analysis, the cost of iteratively modifying a computational domain via re-meshing and restarting the analysis becomes time prohibitive as the size of simulations increases. In this paper, we…
An electro-chemo-mechanical phase-field formulation is developed to simulate pitting and stress corrosion in polycrystalline materials. The formulation incorporates dependencies of mechanical properties and corrosion potential on…
The progression of scientific computing resources has enabled the numerical approximation of mathematical models describing complex physical phenomena. A significant portion of researcher time is typically dedicated to the development of…
Advances in imaging methods such as electron microscopy, tomography and other modalities are enabling high-resolution reconstructions of cellular and organelle geometries. Such advances pave the way for using these geometries for…
The microstructure of materials evolves through chemical reactions and mechanical stress, often strongly coupled in phenomena such as pressure solution or crystallization pressure. This article presents MASKE: a simulator to address the…
In the rapidly evolving field of deep learning, specialized models have driven significant advancements in tasks such as computer vision and natural language processing. However, this specialization leads to a fragmented ecosystem where…
We introduce a novel computational framework for the multiscale simulation of higher-order continua that allows for the consideration of first-, second- and third- order effects at both micro- and macro-level. In line with classical…