计算工程、金融与科学
This work proposes a novel model and numerical formulation for lubricated contact problems describing the mutual interaction between two deformable 3D solid bodies and an interposed fluid film. The solid bodies are consistently described…
This paper presents a novel direct Jacobian total Lagrangian explicit dynamics (DJ-TLED) finite element algorithm for real-time nonlinear mechanics simulation. The nodal force contributions are expressed using only the Jacobian operator,…
We proposed the molecular hyper-message passing network (MolHMPN) that predicts the properties of a molecule with prior knowledge-guided subgraph. Modeling higher-order connectivities in molecules is necessary as changes in both the…
We present a novel finite element analysis of inelastic structures containing Shape Memory Alloys (SMAs). Phenomenological constitutive models for SMAs lead to material nonlinearities, that require substantial computational effort to…
In this paper, different approaches to portfolio optimization having higher moments such as skewness and kurtosis are classified so that the reader can observe different paradigms and approaches in this field of research which is essential…
Blade envelopes offer a set of data-driven tolerance guidelines for manufactured components based on aerodynamic analysis. In Part I of this two-part paper, a workflow for the formulation of blade envelopes is described and demonstrated. In…
Blades manufactured through flank and point milling will likely exhibit geometric variability. Gauging the aerodynamic repercussions of such variability, prior to manufacturing a component, is challenging enough, let alone trying to predict…
Accurate and efficient prediction of soft tissue temperatures is essential to computer-assisted treatment systems for thermal ablation. It can be used to predict tissue temperatures and ablation volumes for personalised treatment planning…
During thermal heating surgical procedures such as electrosurgery, thermal ablative treatment and hyperthermia, soft tissue deformation due to tool-tissue interaction and patients' motion can affect the distribution of induced thermal…
We present an enhanced version of the parametric nonlinear reduced order model for shape imperfections in structural dynamics we studied in a previous work [1]. The model is computed intrusively and with no training using information about…
We propose an enriched finite element formulation to address the computational modeling of contact problems and the coupling of non-conforming discretizations in the small deformation setting. The displacement field is augmented by enriched…
Strain gradient theory is an accurate model for capturing the size effect and localization phenomena. However, the challenge in identification of corresponding constitutive parameters limits the practical application of the theory. We…
Real-time analysis of bio-heat transfer is very beneficial in improving clinical outcomes of hyperthermia and thermal ablative treatments but challenging to achieve due to large computational costs. This paper presents a fast numerical…
This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…
In the intersection of molecular science and deep learning, tasks like virtual screening have driven the need for a high-throughput molecular representation generator on large chemical databases. However, as SMILES strings are the most…
During design optimization, a smooth description of the geometry is important, especially for problems that are sensitive to the way interfaces are resolved, e.g., wave propagation or fluid-structure interaction. A levelset description of…
The engineering design process often entails optimizing the underlying geometry while simultaneously selecting a suitable material. For a certain class of simple problems, the two are separable where, for example, one can first select an…
A novel approach to exploiting the log-convex structure present in many design problems is developed by modifying the classical Sequential Quadratic Programming (SQP) algorithm. The modified algorithm, Logspace Sequential Quadratic…
This paper presents a model-free data-driven strategy for linear and non-linear finite element computations of open-cell foam. Employing sets of material data, the data-driven problem is formulated as the minimization of a distance function…
We address brittle fracture in anisotropic materials featuring two-fold and four-fold symmetric fracture toughness. For these two classes, we develop two variational phase-field models based on the family of regularizations proposed by…