Related papers: Digital rock physics: calculation of effective ela…
The advent of multi-material additive manufacturing and automated composite manufacturing has enabled the design of structures featuring complex curvilinear anisotropy. To take advantage of the new design space, efficient computational…
Anisotropy in crystals plays a pivotal role in many technological applications. For example, anisotropic electronic and thermal transport are thought to be beneficial for thermoelectric applications, while anisotropic mechanical properties…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
Long range order and symmetry in heterogeneous materials architected on crystal lattices lead to elastic and inelastic anisotropies and thus limit mechanical functionalities in particular crystallographic directions. Here, we present a…
We outline how auxiliary-field quantum Monte Carlo (AFQMC) can leverage graphical processing units (GPUs) to accelerate the simulation of solid state sytems. By exploiting conservation of crystal momentum in the one- and two-electron…
Rigid bodies, made of smaller composite beads, are commonly used to simulate anisotropic particles with molecular dynamics or Monte Carlo methods. To accurately represent the particle shape and to obtain smooth and realistic effective pair…
The simulation of heat flow through heterogeneous material is important for the design of structural and electronic components. Classical analytical solutions to the heat equation PDE are not known for many such domains, even those having…
Computational fluid dynamic simulations often produce large clusters of finite elements with non-trivial, non-convex boundaries and uneven distributions among compute nodes, posing challenges to compositing during interactive volume…
Resonance ultrasound spectroscopy (RUS) is a non-destructive technique for evaluating elastic and an-elastic material properties. The frequencies of free vibrations for a carefully crafted sample are measured, and material properties can be…
This work aims to model the hypersurface of the effective elastic modulus, \( E_{z, \text{eff}} \), and thickness, \( th_{\text{eff}} \), in corrugated boards. A Latin Hypercube Sampling (LHS) is followed by Gaussian Process Regression…
This paper discusses the potential of graphics processing units (GPUs) in high-dimensional optimization problems. A single GPU card with hundreds of arithmetic cores can be inserted in a personal computer and dramatically accelerates many…
The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either…
In real-time rendering, a 3D scene is modelled with meshes of triangles that the GPU projects to the screen. They are discretized by sampling each triangle at regular space intervals to generate fragments which are then added texture and…
To enable heterogeneous computing systems with autonomous programming and optimization capabilities, we propose a unified, end-to-end, programmable graph representation learning (PGL) framework that is capable of mining the complexity of…
This paper describes a novel approach for on demand volumetric texture synthesis based on a deep learning framework that allows for the generation of high quality 3D data at interactive rates. Based on a few example images of textures, a…
A simple and efficient algorithm to numerically compute the genus of surfaces of three-dimensional objects using the Euler characteristic formula is presented. The algorithm applies to objects obtained by thresholding a scalar field in a…
Materials modelling and processing require experiments to visualize and quantify how external excitations drive the evolution of deep subsurface structure and defects that determine properties. Today, 3D movies with ~100-nm resolution of…
The multi-scale nature of architectured materials raises the need for advanced experimental methods suitable for the identification of their effective properties, especially when their size is finite and they undergo extreme deformations.…
This paper presents a dynamic constraint formulation to provide protective virtual fixtures of 3D anatomical structures from polygon mesh representations. The proposed approach can anisotropically limit the tool motion of surgical robots…
This work focuses on computing the homogenized elastic properties of rocks from 3D micro-computed-tomography (micro-CT) scanned images. The accurate computation of homogenized properties of rocks, archetypal random media, requires both…