计算工程、金融与科学
We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…
Lithium-ion batteries (LIBs) of high energy density and light-weight design, have found wide applications in electronic devices and systems. Degradation mechanisms that caused by lithiation is a main challenging problem for LIBs with high…
Among metal additive manufacturing technologies, powder-bed fusion features very thin layers and rapid solidification rates, leading to long build jobs and a highly localized process. Many efforts are being devoted to accelerate simulation…
A novel inline data compression method is presented for single-precision vectors in three dimensions. The primary application of the method is for accelerating computational physics calculations where the throughput is bound by memory…
A new density field representation technique called the Bezier skeleton explicit density (BSED) representation scheme for topology optimization of stretchable metamaterials under finite deformation is proposed for the first time. The…
Deformation microstructure heterogeneities play a pivotal role during dislocation patterning and interface network restructuring. Thus, they affect indirectly how an alloy recrystallizes if at all. Given this relevance, it has become common…
We describe a computational framework for simulating suspensions of rigid particles in Newtonian Stokes flow. One central building block is a collision-resolution algorithm that overcomes the numerical constraints arising from particle…
This paper reports on comprehensive efforts on uncertainty quantification and global sensitivity analysis for accelerator cavity design. As a case study object the TESLA shaped superconducting cavities, as produced for the European X-ray…
Two Hybridizable Discontinuous Galerkin (HDG) schemes for the solution of Maxwell's equations in the time domain are presented. The first method is based on an electromagnetic diffusion equation, while the second is based on Faraday's and…
A topology synthesis approach to design 2D Contact-aided Compliant Mechanisms (CCMs) to trace output paths with three or more kinks is presented. Synthesis process uses three different types of external, rigid contact surfaces: circular,…
We present an adaptive space-time phase field formulation for dynamic fracture of brittle shells. Their deformation is characterized by the Kirchhoff-Love thin shell theory using a curvilinear surface description. All kinematical objects…
In this work, we propose a new approach to the problem of critical point calculation, based on the formulation of Heidemann and Khalil (1980). This leads to a $2 \times 2$ system of nonlinear algebraic equations in temperature and molar…
Transformations accompanying shape-instability govern the morphological configuration and distribution of the phases in a microstructure. Owing to the influence of the microstructure on the properties of a material, the stability of…
The multi-level, multi-disciplinary and multi-fidelity optimization framework developed at Bombardier Aviation has shown great results to explore efficient and competitive aircraft configurations. This optimization framework has been…
This article proposes an optimization framework, based on Genetic Algorithms (GA), to calibrate the constitutive law of von Wolffersdorff. This constitutive law is known as Sand Hypoplasticity (SH), and allows for robust and accurate…
This paper presents an efficient gradient projection-based method for structural topological optimization problems characterized by a nonlinear objective function which is minimized over a feasible region defined by bilateral bounds and a…
In various applications, design problems involving structures and compliant mechanisms experience fluidic pressure loads. During topology optimization of such design problems, these loads adapt their direction and location with the…
Reaction-diffusion systems are ubiquitous in nature and in engineering applications, and are often modeled using a non-linear system of governing equations. While robust numerical methods exist to solve them, deep learning-based reduced…
Origami crease patterns are folding paths that transform flat sheets into spatial objects. Origami patterns with a single degree of freedom (DOF) have creases that fold simultaneously. More often, several substeps are required to…
Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…