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Microstructural Evolution Modeling


To advance the understanding and application of materials science by bridging the gap between fundamental research and industrial applications, with a focus on innovative materials and scalable technologies.


To develop and implement multiscale approaches to materials science, from atomic level properties to macroscopic behavior, enabling the creation of advanced materials for electronic, magnetic, quantum and structural applications through cutting-edge research and collaboration with industry.

R&D Scope

The MEM group is dedicated to pioneering research that integrates fundamental science with practical applications. Our work involves the computational and theoretical design of functional and structural materials, with particular emphasis on those operating under extreme conditions. This includes the development of nuclear materials, scalable microstructure simulations for additive manufacturing, and solidification processes. By addressing the current needs of applied programs, we aim to understand atomic-level properties and develop multiscale approaches that seamlessly integrate nanoscale phenomena with macroscale applications. Our research also explores materials with unique quantum properties, with the goal of exploiting these properties for multifunctional applications in diverse fields.

In addition, we use high-throughput methods and machine learning/AI to develop predictive models that accelerate the discovery of new materials. Our research spans multiple scales, both temporal and spatial, to create comprehensive models and simulations that inform materials design and application. Our work is highly collaborative, and we benefit greatly from interactions with other groups in our Section, Division, and across ORNL, including high-performance computing (HPC) resources at DOE facilities such as OLCF and NERSC. By leveraging HPC resources and collaborative efforts, we aim to advance the field of materials science and contribute to the development of innovative materials for a wide range of industrial applications.

Core Competencies

  • Bridging Basic Science and Applied Research: Addressing the needs of applied programs by understanding properties at the atomic level and developing multiscale approaches that link the nanoscale to the macroscale
  • Quantum and Electronic Materials:  Focusing on materials with multifunctional quantum properties, as well as electronic and magnetic materials for diverse applications
  • Computational and Theoretical Design: Specializing in the computational and theoretical design of functional and structural materials, including those under extreme conditions
  • Advanced Manufacturing and Additive Manufacturing :  Development of scalable microstructure simulations for additive manufacturing and solidification processes
  • Nuclear Materials: Advancing the development of materials designed for extreme conditions and nuclear applications
  • High-Throughput and AI Approaches: Leveraging high-throughput methods and machine learning/artificial intelligence for predictive theory approaches and materials design across multiple time and space scales


Senior R&D Staff & Group Leader, Microstructural Evolution Modeling Group
Mina Yoon