Multi-objective Algorithm Optimization of Interfacial Structures

Project: Research project

Project Details


Solid solid interfaces are important for materials properties in a wide variety of systems, yet the characterization of these interfaces is challenging both via experiments and computational modeling. In particular, the interfacial region can be poorly imaged in electron microscopy, even if atomic resolution is achieved away from the interface. In this project, a combination of atomistic modeling and multi-objective genetic algorithm is used; in conjunction with electron microscopy to solve this problem and produce three dimension atomistic structures of complex solid-solid interfaces. Eric Schwenker, on the behalf of Northwestern University, shall perform research on this project under the supervision of Prof. Christopher Wolverton (Northwestern Univ.) and Dr. Maria Chan (Argonne National Lab). Mr. Schwenker’s research will include performing atomistic and first principles computation, numerical analysis of microscopy image, and multi-objective optimization of interfacial structures. Mr. Schwenker will develop algorithms and software necessary for the computation, perform the computation, interpret the results, and prepare articles for publication in scientific journals. All data and associated graphs, calculations and other results of this effort will be provided to Dr. Maria Chan of ANL prior to the end of the work order period.
Effective start/end date12/1/1511/30/18


  • UChicago Argonne, LLC, Argonne National Laboratory (3J-30081-0055A // 3J-30081-0055A Rev 0055D)
  • Department of Energy (3J-30081-0055A // 3J-30081-0055A Rev 0055D)


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