Zahra Lakdawala | Search arXiv

arXiv2026

Perspectives on Sustainable Computational Science and Engineering

Computational Science and Engineering (CSE) combines expertise at the intersection of engineering, applied mathematics, and computer science to form powerful methods for model-based design and model-based decision support across disciplines. Today, CSE methods and tools have an impact as an enabling technology in the development of increasingly sustainable products, processes, and operations. However, sustainability is rarely considered holistically in the context of CSE itself. This paper develops a perspective on sustainability in CSE by distinguishing CSE as an enabler of sustainability in application domains from sustainability within CSE itself, which rests on two complementary pillars: sustainable computing and sustainable software. We present illustrative examples for these pillars and derive recommendations and best practices for CSE stakeholders. Developing an understanding of how sustainability can create added value in CSE is an important future direction for the field. This calls for a concerted effort within the CSE community to define measurable outcomes and best practices that embed sustainability as a core design principle rather than an afterthought.

cs.CE↗

arXiv2015

On pore-scale modeling and simulation of reactive transport in 3D geometries

Pore-scale modeling and simulation of reactive flow in porous media has a range of diverse applications, and poses a number of research challenges. It is known that the morphology of a porous medium has significant influence on the local flow rate, which can have a substantial impact on the rate of chemical reactions. While there are a large number of papers and software tools dedicated to simulating either fluid flow in 3D computerized tomography (CT) images or reactive flow using pore-network models, little attention to date has been focused on the pore-scale simulation of sorptive transport in 3D CT images, which is the specific focus of this paper. Here we first present an algorithm for the simulation of such reactive flows directly on images, which is implemented in a sophisticated software package. We then use this software to present numerical results in two resolved geometries, illustrating the importance of pore-scale simulation and the flexibility of our software package.

cs.CE↗