Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie

Uncertainty Updating in the Description of Coupled Heat and Moisture Transport in Heterogeneous Materials

To assess the durability of structures, heat and moisture transport need to be analyzed. To provide a reliable estimation of heat and moisture distribution in a certain structure, one needs to include all available information about the loading conditions and material parameters. Moreover, the information should be accompanied by a corresponding evaluation of its credibility. Here, the Bayesian inference is applied to combine different sources of information, so as to provide a more accurate estimation of heat and moisture fields [1]. The procedure is demonstrated on the probabilistic description of heterogeneous material where the uncertainties consist of a particular value of individual material characteristic and spatial fluctuations. As for the heat and moisture transfer, it is modelled in coupled setting [2]

Multiscale computational first order homogenization of thick shells for the analysis of out-of-plane loaded masonry walls

This work presents a multiscale method based on computational homogenization for the analysis of general heterogeneous thick shell structures, with special focus on periodic brick-masonry walls. The proposed method is designed for the analysis of shells whose micro-structure is heterogeneous in the in-plane directions, but initially homogeneous in the shell-thickness direction, a structural topology that can be found in single-leaf brick masonry walls. Under this assumption, this work proposes an efficient homogenization scheme where both the macro-scale and the micro-scale are described by the same shell theory. The proposed method is then applied to the analysis of out-of-plane loaded brick-masonry walls, and compared to experimental and micro-modeling results.Peer ReviewedPostprint (author's final draft

Review of the Synergies Between Computational Modeling and Experimental Characterization of Materials Across Length Scales

With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends where predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure-properties relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanics community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to "simply" support experimental work. This is illustrated by examples from several application areas on structural materials. This manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.Comment: 25 pages, 11 figures, review article accepted for publication in J. Mater. Sc

Computationally-efficient multiscale models for progressive failure and damage analysis of composites

L'abstract è presente nell'allegato / the abstract is in the attachmen