SimStack: An Intuitive Workflow Framework

Establishing a fundamental understanding of the nature of materials via computational simulation approaches requires knowledge from different areas, including physics, materials science, chemistry, mechanical engineering, mathematics, and computer science. Accurate modeling of the characteristics of a particular system usually involves multiple scales and therefore requires the combination of methods from various fields into custom-tailored simulation workflows. The typical approach to developing patch-work solutions on a case-to-case basis requires extensive expertise in scripting, command-line execution, and knowledge of all methods and tools involved for data preparation, data transfer between modules, module execution, and analysis. Therefore multiscale simulations involving state-of-the-art methods suffer from limited scalability, reproducibility, and flexibility. In this work, we present the workflow framework SimStack that enables rapid prototyping of simulation workflows involving modules from various sources. In this platform, multiscale- and multimodule workflows for execution on remote computational resources are crafted via drag and drop, minimizing the required expertise and effort for workflow setup. By hiding the complexity of high-performance computations on remote resources and maximizing reproducibility, SimStack enables users from academia and industry to combine cutting-edge models into custom-tailored, scalable simulation solutions

Multi-Information Source Fusion and Optimization to Realize ICME: Application to Dual Phase Materials

Integrated Computational Materials Engineering (ICME) calls for the integration of computational tools into the materials and parts development cycle, while the Materials Genome Initiative (MGI) calls for the acceleration of the materials development cycle through the combination of experiments, simulation, and data. As they stand, both ICME and MGI do not prescribe how to achieve the necessary tool integration or how to efficiently exploit the computational tools, in combination with experiments, to accelerate the development of new materials and materials systems. This paper addresses the first issue by putting forward a framework for the fusion of information that exploits correlations among sources/models and between the sources and `ground truth'. The second issue is addressed through a multi-information source optimization framework that identifies, given current knowledge, the next best information source to query and where in the input space to query it via a novel value-gradient policy. The querying decision takes into account the ability to learn correlations between information sources, the resource cost of querying an information source, and what a query is expected to provide in terms of improvement over the current state. The framework is demonstrated on the optimization of a dual-phase steel to maximize its strength-normalized strain hardening rate. The ground truth is represented by a microstructure-based finite element model while three low fidelity information sources---i.e. reduced order models---based on different homogenization assumptions---isostrain, isostress and isowork---are used to efficiently and optimally query the materials design space.Comment: 19 pages, 11 figures, 5 table

Digital Tectonics as a Morphogenetic Process

p. 938-948Tectonics is a seminal concept that defines the nature of the relationship between architecture and its structural properties. The changing definition of the symbiotic relationship between structural engineering and architectural design may be considered one of the formative influences on the conceptual evolution of tectonics in different historical periods. Recent developments in the field of morphogenesis, digital media, theories techniques and methods of digital design have contributed a new models of integration between structure, material and form in digital tectonics. The objective of this paper is to propose and define tectonics as a model of morphogenetic process. The paper identifies and presents the manner in which theory and emerging concepts of morphogenesis as well as digital models of design are contributing to this new model. The paper first analyzes the historical evolution of tectonics as a concept and characterizes the emergence of theoretical framework reflected in concepts and terms related to morphogenesis.Oxman, R. (2010). Digital Tectonics as a Morphogenetic Process. Editorial Universitat Politècnica de València. http://hdl.handle.net/10251/695

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

A framework for smart production-logistics systems based on CPS and industrial IoT

Industrial Internet of Things (IIoT) has received increasing attention from both academia and industry. However, several challenges including excessively long waiting time and a serious waste of energy still exist in the IIoT-based integration between production and logistics in job shops. To address these challenges, a framework depicting the mechanism and methodology of smart production-logistics systems is proposed to implement intelligent modeling of key manufacturing resources and investigate self-organizing configuration mechanisms. A data-driven model based on analytical target cascading is developed to implement the self-organizing configuration. A case study based on a Chinese engine manufacturer is presented to validate the feasibility and evaluate the performance of the proposed framework and the developed method. The results show that the manufacturing time and the energy consumption are reduced and the computing time is reasonable. This paper potentially enables manufacturers to deploy IIoT-based applications and improve the efficiency of production-logistics systems