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Representative Publications

For the most updated full list with citation, please visit Google Scholar.

Our research publications cover alloy and processing design, machine learning, theory and their applications in phase equilibria and phase transformations. More than 100 papers are published in peer-reviewed scientific journals, and seven book chapters are published in Landolt-Boernstein Handbook.

So far, the PMMD Lab has received Four Best Paper Awards.

Good to Know

The PMMD laboratory focuses on advanced materials design, CALPHAD-based Integrated Computational Materials Engineering (ICME), and AI-driven innovations in materials and manufacturing. We specialize in integrating computational approaches with experimental research to accelerate materials discovery and manufacturing development. Our representative contributions span additive manufacturing, multiscale modeling, and the application of machine learning to materials science and advanced manufacturing.

Materials Design and Advanced Manufacturing

  • Wei Xiong, Gregory B. Olson, "Integrated Computational Materials Design for High-Performance Alloys," MRS Bulletin, 40 (2015) 1035–1043. https://doi.org/10.1557/mrs.2015.273

  • Wei Xiong, Gregory B. Olson, "Cybermaterials: Materials by Design and Accelerated Insertion of Materials," npj Computational Materials, 2 (2016) 15009. https://doi.org/10.1038/npjcompumats.2015.9

  • Xin Wang, Wei Xiong "Uncertainty Quantification and Composition Optimization for Alloy Additive Manufacturing Through A CALPHAD-based ICME Framework," npj Computational Materials, 6 (2020) 188. https://doi.org/10.1038/s41524-020-00454-9

  • Zhiqiang Fu, Lin Jiang, Jenna L. Wardini, Benjamin E. MacDonald, Haiming Wen, Wei Xiong, Dalong Zhang, Yizhang Zhou, Timothy J. Rupert, Weiping Chen, Enrique J. Lavernia, "A high-entropy alloy with hierarchical nanoprecipitates and ultrahigh strength," Science Advances, 4(10) (2018) eaat8712. https://doi.org/10.1126/sciadv.aat8712

  • Fuyao Yan, Wei Xiong, Eric J. Faierson, "Grain Structure Control of Additively Manufactured Metallic Materials," Materials, 10 (2017) 1260. https://doi.org/10.3390/ma10111260

  • Xizheng Wang, Yunhao Zhao, Gang Chen, Xinpeng Zhao, Chuan Liu, Soumya Sridar, Luis Fernando Ladinos Pizano, Shuke Li, Alexandra H. Brozena, Miao Gao, ..., Wei Xiong, Liangbing Hu, "Ultrahigh-temperature melt printing of multi-principal element alloys," Nature Communications, 13 (2022) 6724. https://doi.org/10.1038/s41467-022-34471-7

  • Jacob Smith, Wei Xiong, Wentao Yan, Stephen Lin, Puikei Cheng, Orion L. Kafka, Gregory J. Wagner, Jian Cao, Wing Kam Liu, "Linking Process, Structure, Property, and Performance for Metal-based Additive Manufacturing: Computational Approaches with Experimental Support," Computational Mechanics, 57 (2016) 583–610. https://doi.org/10.1007/s00466-015-1240-4

Functionally Graded Materials, New Alloy Development for Additive Manufacturing

  • Noah Sargent, Yuankang Wang, Daozheng Li, Yunhao Zhao, Xin Wang, Wei Xiong, "Exploring Alloy Design Pathway Through Directed Energy Deposition of Powder Mixtures: A Study of Stainless Steel 316L and Inconel 718," Additive Manufacturing Letters, 6 (2023) 100133. https://doi.org/10.1016/j.addlet.2023.100133

  • Noah Sargent, Samad Firdosy, Xin Wang, Nicholas Ury, Jonathan D. Poplawsky, Richard Otis, Wei Xiong, "Discovery of microsegregation-aided transformation and twinning-induced plasticity in low Mn steel through directed energy deposition of functionally graded materials," Additive Manufacturing, 85 (2024) 104154. https://doi.org/10.1016/j.addma.2024.104154

High-throughput Experimentation, Heat Treatment Design for Additive Manufacturing

  • Xin Wang, Luis Fernando Ladinos Pizano, Soumya Sridar, Chantal Sudbrack, Wei Xiong, "Aging heat treatment design for Haynes 282 made by wire-feed additive manufacturing using high-throughput experiments and interpretable machine learning," Science and Technology of Advanced Materials, 25 (2024) 2346067. https://doi.org/10.1080/14686996.2024.2346067

  • Yunhao Zhao, Kun Li, Matthew Gargani, Wei Xiong, "A Comparative Analysis of Inconel 718 Made by Additive Manufacturing and Suction Casting: Microstructure Evolution in Homogenization," Additive Manufacturing, 36 (2020) 101404. https://doi.org/10.1016/j.addma.2020.101404

  • Yunhao Zhao, Noah Sargent, Kun Li, Wei Xiong, "A new high-throughput method using additive manufacturing for alloy design and heat treatment optimization," Materialia, 13 (2020) 100835. https://doi.org/10.1016/j.mtla.2020.100835

Metastability and Theory of Defects

  • Xin Wang, Rafael Rodriguez De Vecchis, Chenyang Li, ..., Wei Chen, Wei Xiong, "Design metastability in high-entropy alloys by tailoring unstable fault energies," Science Advances, 8 (2022) eabo7333. https://doi.org/10.1126/sciadv.abo7333

  • Xin Wang, Wei Xiong, "Stacking fault energy prediction for austenitic steels: thermodynamic modeling vs. machine learning," Science and Technology of Advanced Materials, 21:1 (2020) 626–634. https://doi.org/10.1080/14686996.2020.1808433

  • Fuyao Yan, Wei Xiong, Eric J. Faierson, Gregory B. Olson, "Characterization of nano-scale oxides in austenitic stainless steel processed by powder bed fusion," Scripta Materialia, 155 (2018) 104–108. https://doi.org/10.1016/j.scriptamat.2018.06.011

Data Science and Machine Learning

  • Xin Wang, Soumya Sridar, Michael Klecka, Wei Xiong, "Rapid data acquisition and machine learning-assisted composition design of functionally graded alloys via wire arc additive manufacturing," npj Advanced Manufacturing, 2(1) (2025) 17. https://doi.org/10.1038/s44334-025-00028-x

  • Ankit Agrawal, Abhinav Saboo, Wei Xiong, Greg Olson, Alok Choudhary, "Martensite Start Temperature Predictor for Steels Using Ensemble Data Mining," 2019 IEEE International Conference on Data Science and Advanced Analytics (DSAA), (2019) 521–530. https://doi.org/10.1109/DSAA.2019.00067

  • Xin Wang, Wei Xiong, "Stacking fault energy prediction for austenitic steels: thermodynamic modeling vs. machine learning," Science and Technology of Advanced Materials, 21:1 (2020) 626–634. https://doi.org/10.1080/14686996.2020.1808433

  • Xin Wang, Luis Fernando Ladinos Pizano, Soumya Sridar, Chantal Sudbrack, Wei Xiong, "Aging heat treatment design for Haynes 282 made by wire-feed additive manufacturing using high-throughput experiments and interpretable machine learning," Science and Technology of Advanced Materials, 25 (2024) 2346067. https://doi.org/10.1080/14686996.2024.2346067

CALPHAD Theory and Calphad-based ICME Modeling

  • Wei Xiong, Qing Chen, Pavel Korzhavyi, Malin Selleby, "An improved magnetic model for thermodynamic modeling," CALPHAD, 39 (2012) 11–20. https://doi.org/10.1016/j.calphad.2012.07.002

  • Wei Xiong, Peter Hedström, Malin Selleby, Joakim Odqvist, Mattias Thuvander, Qing Chen, "An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments," CALPHAD, 35(3) (2011) 355–366. https://doi.org/10.1016/j.calphad.2011.05.002

  • Wei Xiong, Hualei Zhang, Levente Vitos, Malin Selleby, "Magnetic phase diagram of the Fe–Ni system," Acta Materialia, 59(2) (2011) 521–530. https://doi.org/10.1016/j.actamat.2010.09.055

  • Wei Xiong, Malin Selleby, Qing Chen, Joakim Odqvist, Yong Du, "Phase Equilibria and Thermodynamic Properties in the Fe–Cr System," Critical Reviews in Solid State and Materials Sciences, 35 (2010) 125–152. https://doi.org/10.1080/10408431003788472

  • Noah Sargent, Mason Jones, Richard Otis, Andrew A. Shapiro, Jean-Pierre Delplanque, Wei Xiong, "Integration of Processing and Microstructure Models for Non-Equilibrium Solidification in Additive Manufacturing," Metals, 11(4) (2021) 570. https://doi.org/10.3390/met11040570

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