@article{maldonis_banadaki_patala_voyles_2019, title={Short-range order structure motifs learned from an atomistic model of a Zr50Cu45Al5 metallic glass}, volume={175}, ISSN={["1873-2453"]}, url={https://doi.org/10.1016/j.actamat.2019.05.002}, DOI={10.1016/j.actamat.2019.05.002}, abstractNote={The structural motifs of a Zr50Cu45Al5 metallic glass were learned from atomistic models using a new structure analysis method called motif extraction that employs point-pattern matching and machine learning clustering techniques. The motifs are the nearest-neighbor building blocks of the glass and reveal a well-defined hierarchy of structures as a function of coordination number. Some of the motifs are icosahedral or quasi-icosahedral in structure, while others take on the structure of the most close-packed geometries for each coordination number. These results set the stage for developing clearer structure-property connections in metallic glasses. Motif extraction can be applied to any disordered material to identify its structural motifs without the need for human input.}, journal={ACTA MATERIALIA}, publisher={Elsevier BV}, author={Maldonis, Jason J. and Banadaki, Arash Dehghan and Patala, Srikanth and Voyles, Paul M.}, year={2019}, month={Aug}, pages={35–45} }
 @article{banadaki_patala_2017, title={A three-dimensional polyhedral unit model for grain boundary structure in fcc metals}, volume={3}, ISSN={["2057-3960"]}, url={https://doi.org/10.1038/s41524-017-0016-0}, DOI={10.1038/s41524-017-0016-0}, abstractNote={AbstractOne of the biggest challenges in developing truly bottom-up models for the performance of polycrystalline materials is the lack of robust quantitative structure–property relationships for interfaces. As a first step in analyzing such relationships, we present a polyhedral unit model to classify the geometrical nature of atomic packing along grain boundaries. While the atomic structure in disordered systems has been a topic of interest for many decades, geometrical analyses of grain boundaries has proven to be particularly challenging because of the wide range of structures that are possible depending on the underlying macroscopic crystallographic character. In this article, we propose an algorithm that can partition the atomic structure into a connected array of three-dimensional polyhedra, and thus, present a three-dimensional polyhedral unit model for grain boundaries. A point-pattern matching algorithm is also provided for quantifying the distortions of the observed grain boundary polyhedral units. The polyhedral unit model is robust enough to capture the structure of high-Σ, mixed character interfaces and, hence, provides a geometric tool for comparing grain boundary structures across the five-parameter crystallographic phase-space. Since the obtained polyhedral units circumscribe the voids present in the structure, such a description provides valuable information concerning segregation sites within the grain boundary. We anticipate that this technique will serve as a powerful tool in the analysis of grain boundary structure. The polyhedral unit model is also applicable to a wide array of material systems as the proposed algorithm is not limited by the underlying lattice structure.}, number={1}, journal={NPJ COMPUTATIONAL MATERIALS}, publisher={Springer Nature}, author={Banadaki, Arash Dehghan and Patala, Srikanth}, year={2017}, month={Mar} }
 @article{dehghan banadaki_guddati_kim_2016, title={An algorithm for virtual fabrication of air voids in asphalt concrete}, volume={17}, ISSN={["1477-268X"]}, DOI={10.1080/10298436.2014.979822}, abstractNote={Motivated by the virtual testing of asphalt concrete, the North Carolina State University research team has developed an algorithm to computationally generate air voids. After examining the X-ray tomographic images of real asphalt concrete microstructure, we concluded that the air void's shape and size are affected primarily by the surrounding local aggregate structure. Building on this observation, we developed an algorithm to generate random but representative air void configurations inside a given microstructure. By applying the algorithm to scanned aggregate structures, we show that the generated air voids not only look visually similar to actual air voids, but also are effective in capturing modulus reduction. The algorithm is included in a virtual aggregate structure generation framework, resulting in a streamlined virtual fabrication procedure for asphalt concrete that can qualitatively capture the effects of accelerated degradation due to the presence of air voids.}, number={3}, journal={INTERNATIONAL JOURNAL OF PAVEMENT ENGINEERING}, author={Dehghan Banadaki, Arash and Guddati, Murthy N. and Kim, Y. Richard}, year={2016}, month={Mar}, pages={225–232} }