Computational Tool Release: Stacking Fault Energy and CALPHAD-based Uncertainty Quantification Modeling for HSLA Steel Design

Xin Wang and Dr. Wei Xiong has made webpage tool for stacking fault energy prediction and high-strength low-alloy steel design based on their publications: (doi: 10.1080/14686996.2020.1808433) & (doi: 10.1038/s41524-020-00454-9). We hope this simple tool can support materials design, including but not limited to TRIP/TWIP steels and uncertainty quantification in HSLA-steel manufacturing. Please visit the webpage for more details. (1) stacking fault energy prediction: https://pmmdlab.pythonanywhere.com/user/sfe; (2) uncertainty quantification of HSLA steel composition https://pmmdlab.pythonanywhere.com/user/hslauq.

Congratulations to Dr. Wei Xiong on receiving the William Kepler Whiteford Faculty Fellowship

Dr. Wei Xiong has been appointed as a William Kepler Whiteford Faculty Fellow effective Sept 1st, 2021 for four years. This appointment is in addition to Dr. Xiong's academic appointment and is in recognition of your outstanding productivity as a junior member of the faculty. The award is made competitively by a team of outstanding faculty who rank all nominated candidates based upon materials included in the nomination package. The selection reflects the high value that the evaluation team placed upon candidates' contribution to scholarship, graduate and undergraduate education, external research support, research quality, leadership and diversity. Each year the competition increases so the awardees can be deservedly proud as a recipient of this fellowship. Further, it reflects the strong support of the faculty colleagues and chair.

Congratulations to Rafael on receiving the TMS International Symposium on Superalloys Scholarship

Congratulations to Mr. Rafael Tomás Rodríguez De Vecchis on the TMS International Symposium on Superalloys Scholarship. Rafael attended the MS&T 2021 in October with this scholarship. He delivered his presentation on high-strength low-alloy steel design, and received wonderful feedback from industrial attendees. Together, Xin Wang, Liangyan Hao, Yuankang Wang, and Dr. Wei Xiong also participated the MS&T conference in Columbus, Ohio.

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Dr. Yunhao Zhao will start his career at Cummins for manufacturing and materials design

Congratulations to Dr. Yunhao Zhao on his graduation! He will start his position at Cummins as a metallurgist to continue working on additive manufacturing and materials design. It is exciting to learn that Dr. Yunhao Zhao was the first PhD student at the PMMD lab starting from 2017 with a master degree at Pitt. He worked intensively on Inconel 718 design for additive manufacturing, and has published more than 10 academic papers, with several important student awards including Department Research Assistant Award.

Yunhao was always one of the most hard working student in the PMMD lab. He is not only strong in experiments, but also have learned skills in the CALPHAD-based simulation. He takes pressure as a resilient person working indepentently, and further contribute to the team work. He played a significant role in generating a lot of preliminary work for funding applications, besides his leadership in two funded NASA projects. We will miss him.

Cummins Inc., founded in 1919, is a global power leader and one of the most famous manufacturer in engine design and production. This position is a great fit to Dr. Yunhao Zhao. Look forward to learning more good news from Yunhao in the future. Thank you for your contribution to the PMMD lab! Expect More Victory!

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Dr. Xiong is one of the ten materials scientists and engineers named as the AIME-TMS 150-year Anniversary Keynote Speakers

Congratulations to Dr. Wei Xiong on his lecture contribution to the TMS 150-year anniversary. The lecture can be reviewed on the TMS webiste.

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The PMMD Lab members receive three prestigious awards during the CALPHAD annual conference 2021

Congratulations to Dr. Wei Xiong, Liangyan Hao, and Xin Wang on receving three big awards during the virtual CALPHAD conference 2021 - CALPHAD Global. Dr. Wei Xiong received received the inaugural CALPHAD Young Leader Award. Liangyan Hao and Dr. Wei Xiong received the APDIC best paper award. Dr. Xin Wang received the Best Poster Award during the CALPHAD Global.

“I am humbled to receive the first CALPHAD Young Leader Award and grateful to my colleagues and friends for their endless support and guidance,” said Dr. Wei Xiong. “I look forward to organizing the Young Calphadian Workshop in the next CALPHAD annual meeting in Sweden.” For more information, please visit: the press release from the Swanson School of Engineering at Pitt.

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Dr. Wei Xiong received the $526K NSF CAREER Award for research on Additive Manufacturing of Complex Concentrated Alloys

Congratulations to Dr. Wei Xiong for the NSF (National Science Foundation) CAREER (Faculty Early Career Development) Award. According to the NSF, the CAREER Program is its most prestigious award in support of early-career faculty who have the potential to serve as academic role models in research and education and to lead advances in the mission of their department or organization. In this project, Dr. Wei Xiong will invent new alloys for the additive manufacturing. Particularly, he will lead the lab to study the fundamental mechanisms behind the strength-ductility trade-off for complex concentrated alloys, also often named as high-entropy alloy. This is a five-year project with a $526,334 support from NSF, titled “Unraveling Fundamental Mechanisms Governing Grain Refinement in Complex Concentrated Alloys Made by Additive Manufacturing Towards Strong and Ductile Structures,” began on April 15, 2021. For more information, please visit: the NSF award website. The press release from the Swanson School of Engineering at Pitt is also available.

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Yunhao Zhao as the PMMD Lab member received the MEMS departmental Research Assistant Award

Congratulations to Yunhao Zhao, who received the MEMS departmental Research Assistant Award. Yunhao is one of the two graduate awardees. The award is issued by the Engineering Graduate Student Organization.

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Paper by PMMD Lab has been chosen as the 2020 Editor’s Choice article by the Editor of Journal of Phase Equilibria and Diffusion

Congratulations to Xin Wang, Dr. Soumya Sridar, and Dr. Wei Xiong on the 2020 Editor’s Choice article award. Many thanks for the great efforts made by Xin Wang and Soumya Sridar. Our paper has been chosen as a 2020 Editor’s Choice article by the Editor of Journal of Phase Equilibria and Diffusion. And this paper is now available as a “Free Access” article on Springer’s website.
For more information, please visit: Springer Link website to read this paper.
Xin Wang, Soumya Sridar, Wei Xiong, "Thermodynamic Investigation of New High-Strength Low-Alloy Steels with Heusler Phase Strengthening for Welding and Additive Manufacturing: High-Throughput CALPHAD Calculations and Key Experiments for Database Verification", Journal of Phase Equilibria and Diffusion, 41:6 (2020) 804-818.

Dr. Wei Xiong received the outstanding reviewer award 2020 of Acta Materialia

In recognition of Dr. Wei Xiong excellent service as a reviewer for the Acta Journals in 2020, editorial office has selected him for an outstanding reviewer award. Congratulations!

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Dr. Wei Xiong received the TMS Faculty Fellow Award

Congratulations to Dr. Wei Xiong on the 2021 Early Career Faculty Fellow Award given by The Minerals, Metals, & Materials Society (TMS). Dr. Wei Xiong will give a Special Lecture — Young Professional Tutorial Lecture - "Integrated Computational Materials Design for Alloy Additive Manufacturing"
For more information, please visit: Pitt Swanson School News.

Dr. Wei Xiong serves as the track lead of Additive Manufacturing for the TMS Learning Pathways: Advanced Materials Manufacturing

This three-day online program (Dec. 7 to 9, 2020) offers concurrent short courses that are modularly assembled within the following learning tracks: machine learning, additive manufacturing, and lightweighting. Dr. Wei Xiong serves as the track lead of Additive Manufacturing. Attendees can mix and match modules across all tracks to create their own customized professional development curriculum. Please note that all course notes and materials will be provided to each attendee for reference, giving you three times the value of a single course.
For more information, please visit: TMS website.

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Congratulations to Liangyan Hao and Noah Sargent on receiving the prestigious CALPHAD scholarship

Both Noah and Liangyan will attend the upcoming Calphad annual conference in Sweden in May 2020. Both of them received the scholarship to support their attendance at the conference. Liangyan receives the “Stiftelsen för Tillämpad Termodynamik” (STT, means applied thermodynamics) scholarship for this conference, and Noah gets the support with the Kaufman scholarship, which is to memorize the founder of the CALPHAD method, Dr. Larry Kaufman. Both are prestigious awards for young researchers in the CALPHAD-ICME field. And they will present their research work as oral presentations. We trust that they will do well and become the young research stars in the CALPHAD field. Liangyan has demonstrated excellence in her Calphad work and DFT study. Noah worked hard on graded alloy by 3D printing with promising data within just one semester, and it is great to see the phase transition happens on a student with the ME background. Thank you for your hard and smart work.

Dr. Wei Xiong gave two invited talks at the TMS annual conference in San Diego, California

Dr. Wei Xiong gave two invited talks at the TMS annual conference in San Diego. One is about the Calphad-ICME design for Complex Concentrated Alloys, titled as: "CALPHAD Method in Complex Concentrated Alloy Development: New Opportunities". The other one is about the ICME gap analysis of additive manufacturing, titled as "CALPHAD-based ICME Design for Additive Manufacturing: Successes and Challenges".

Dr. Wei Xiong gave an invited talk at ASM Pittsburgh Chapter February Meeting - Young Members Night

Dr. Wei Xiong gave an invited talk at the ASM Pittsburgh Chapter February Meeting for Young Members Night. He presented the research work and viewpoints on the CALPHAD-based ICME for Additive Manufacturing. > Read more information here. <

Engineering day - InvestingNOW outreach

The PMMD Lab organized an InvestingNOW engineering day introducing materials science and engineering to a group of Grade 11 underrepresented minority students.

Group lunch in 2019

Dr. Wei Xiong invited all the PMMD lab graduates and postdoc for a group lunch today. Thanks everyone for hard working in 2019.

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Outreach: SciTech day in Carnegie Science Center

The PMMD laboratory sponsored the Carnegie Science Center for the SciTech day (11/13-11/15) in 2019. We designed several demos to introduce materials science to the K-12 students, including additive manufacturing, crystal structure, thermodynamics, and microstructure. These kids feel excited about these new technology and materials development techniques. We will keep engaged with the Carnegie Science Center for more outreach activities. Thank Noah, Rafael, Liangyan, Kun, Dario, and Yue for exceptional contributions to this event. We all learned very much in this event.

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Dr. Wei Xiong introduces the CALPHAD approach in the Jones Seminar at Dartmouth College

Dr. Wei Xiong was invited by the Thayer School of Engineering at Dartmouth College to present the group research and introduce the CALPHAD method. The video is now available at YouTube.
The talk introduces phase diagram, Materials Genome, CALPHAD, ICME, and alloy discovery to a group audience with a wide range of background including bioengineering, medical science, materials science, and mechanical engineering.

Abstract: CALPHAD (Calculation of Phase Diagrams) has been widely used in the alloy research providing thermodynamic and kinetic information as the basis of the integrated computational materials design. Thanks to the versatile application in alloy innovations and deployment, CALPHAD has been developed far beyond its initial functionality for phase diagram calculations. It can be applied by combining with other physical models to enhance the predictability on the process-structure-property relationships. In this talk, we will first get familiar with the phase diagrams and CALPHAD. The on-going efforts of establishing an integrated computational materials design framework will be introduced to demonstrate the CALPHAD-based alloy design and materials discovery. The case study on the CALPHAD modeling of the Fe-Ni alloys illustrates the importance of magnetic ordering energy in the metastable phase prediction in steels. The work on additive manufacturing emphasizes the essential integration of CALPHAD modeling with other tools of mechanical engineering for a successful design. Importantly, the CALPHAD method is not limited to the application of metals and alloys. Thermodynamic modeling of martensitic phase behavior in bacterial flagella indicates the possible extension from the Materials Genome to biology through the CALPHAD methodology. Under the interdisciplinary collaboration, the CALPHAD-based methods are ready to integrate and serve as a navigation system for accelerated materials discovery and design.

Congratulations to Noah Sargent on the NASA fellowship

news from SSOE: Congratulations to Noah Sargent, a mechanical engineering senior, received a prestigious NASA Space Technology Research Fellowship (NSTRF) award. Sargent will begin the materials science and engineering PhD program at Pitt this coming fall where he will put the fellowship to use. According to the NASA website, the goal of the fellowship is to sponsor graduate students who show significant potential to contribute to NASA’s goal of creating innovative new space technologies for our Nation’s science, exploration and economic future. The award will be made in the form of a training grant accredited to the University on behalf of Sargent, where faculty advisor Dr. Wei Xiong will serve as the principal investigator. The award is for $80,000/year for up to four years. Additionally, Sargent will be matched with a technically relevant and community-engaged NASA Subject Matter Expert, who will serve as a research collaborator. Sargent is a part of the Physical Metallurgy & Materials Design Laboratory under the direction of Wei Xiong. The proposal that won him the fellowship is titled “Integrated Computational Design of Graded Alloys Made with Additive Manufacturing.” Sargent says, “Words cannot express how thankful and excited I am to receive this award. I look forward to starting graduate school in the fall and continuing my studying at the University of Pittsburgh.”

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Dr. Kun Li joined us as a Postdoctoral Associate working on additive manufacturing

Dr. Li graduated from Tsinghua University, just arrived. He becomes one of the PMMD lab members working on the alloy additive manufacturing. He will work with different group members to strengthen our expertise in ICME processing development. We look forward to fruitful research with his expertise involved starting from now. Expect Victory!

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Dr. Shuying Chen joined us as a Postdoctoral Associate working on the integrated computational materials design for additive manufacturing

Dr. Chen graduated from The University of Tennessee, Knoxville, just arrived. She becomes one of the PMMD lab members working on the advanced alloy development using the ICME technique. She will work with different group members to strengthen our expertise in high-entropy alloy development. We look forward to fruitful research with her expertise involved starting from now. Expect Victory!

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Dr. Soumya Sridar joined us as a Postdoctoral Associate working on the CALPHAD approach

Dr. Sridar graduated from IIT Madras, India, just arrived. She becomes one of the PMMD lab members working on the thermodynamic modeling and CALPHAD database development, in addition, she will contribute to our ICME experiments based on the CALPHAD model-prediction. We look forward to fruitful research with her expertise involved starting from now. Expect Victory!

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Master thesis defense by Matthew Gargani

Congratulations to Mr. Matthew Gargani, who successfully finished the master thesis defense today. Matthew is a fantastic member in our lab, he was taking part-time research in our lab, with a full time working in the Bettis Lab. One of the committee members commented that "this is the best master presentation so far I have ever participated". Matthew made a significant contribution to our lab with limited time working on weekends and nights. He contributed significantly to the corrosion test for our ONR AMANE program, and prepared a thesis based on the homogenization for Inconel 718. We wish him the best luck in his future career! Expect more Victory!

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Dr. Wei Xiong visited Cornell University for MAE colloquium

Dr. Wei Xiong visited the Department of Mechanical and Aerospace Engineering at Cornell University on 3/19, and gave a colloquium with the title about "CALPHAD-based ICME for Materials Design in Additive Manufacturing". The presentation covers the progress of additive manufacturing research performed by the PMMD Lab at Pitt using the research results funded by ONR and NASA as an example. link to the abstract

Dr. Wei Xiong becomes the vice-chair of the TMS alloy phases committee

Dr. Wei Xiong participated the TMS conference 2019 in the week of 3/13/2019. As the TMS ICME Education Sub-Committee Chair, he organized the ICME education symposium. In addition, he has been elected as the vice-chair of the TMS alloy phases committee keep serving for the materials community more broaderly.

Installation of Netzsch DSC404 F1 for thermal analysis

The PMMD Lab now has equipped the DSC404 F1 for thermal analysis. This is purchased from Netzsch instruments company. The equipment can be used to determine heat capacity, phase transformation temperature, heat of reaction for different kinds of materials from room temperature to 1650 ºC. Mr. Xin Wang and Miss. Liangyan Hao are now in charge of the training and calibration, and they will become experts in thermal analysis. The instrument is important to our research in thermodynamic modeling and alloy design.

PMMD lab co-authored a paper published in Journal: Science Advances

Co-authored with collaborators in other four institutions, one paper about high entropy alloy with contribution from Dr. Wei Xiong has been published in Science Advances, which is a sister journal of Science Magazine. Congratulations!

"A high-entropy alloy with hierarchical nanoprecipitates and ultrahigh strength", 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, Science Advances, 4 [10] (2018) eaat8712 --Download-- >PDF<

Abstract:
High-entropy alloys (HEAs) are a class of metallic materials that have revolutionized alloy design. They are known for their high compressive strengths, often greater than 1 GPa; however, the tensile strengths of most reported HEAs are limited. Here, we report a strategy for the design and fabrication of HEAs that can achieve ultrahigh tensile strengths. The proposed strategy involves the introduction of a high density of hierarchical intragranular nanoprecipitates. To establish the validity of this strategy, we designed and fabricated a bulk Fe25Co25Ni25Al10Ti15 HEA to consist of a principal face-centered cubic (fcc) phase containing hierarchical intragranular nanoprecipitates. Our results show that precipitation strengthening, as one of the main strengthening mechanisms, contributes to a tensile yield strength (σ0.2) of ~1.86 GPa and an ultimate tensile strength of ~2.52 GPa at room temperature, which heretofore represents the highest strength reported for an HEA with an appreciable failure strain of ~5.2%.

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Welcome the new PhD student Liangyan Hao

We feel excited and welcome Ms. Liangyan Hao to join the PMMD lab. Ms. Liangyan Hao is a top graduate student with her Master thesis finished at the Huazhong University of Science and Technology, which is the top university in China. Her background is metals casting and manufacturing. Liangyan loves mathematics, and would like to learn more things on phase transformations during her PhD study. We wish her a fruitful PhD studying at the PMMD Lab.

Calculating a New Design

Department of Energy awards $750,000 to Pitt collaborating with UTRC for development of alloy components in fossil fuel power plants

News posted by SSOE, Pitt (https://www.engineering.pitt.edu/News/2018/Wei-To-UTRC-Award/)

PITTSBURGH (August 20, 2018) … A research collaboration led by the University of Pittsburgh’s Swanson School of Engineering is one of 15 national projects to receive nearly $8.8 million in Department of Energy (DOE) funding for cost-shared research and development initiatives to develop innovative technologies that enhance fossil energy power systems.

The proposal, “Integrated Computational Materials and Mechanical Modeling for Additive Manufacturing of Alloys with Graded Structure Used in Fossil Fuel Power Plants,” was awarded to Wei Xiong, PhD (PI), assistant professor, and Albert To, PhD(Co-PI), associate professor in the Swanson School’s Department of Mechanical Engineering and Materials Science. Their collaborator is Michael Klecka, PhD at the United Technologies Research Center (UTRC), headquartered in East Hartford, Connecticut. The team received $750,000 in DOE funding with $187,500 as the cost share. DOE’s National Energy Technology Laboratory (NETL) in Pittsburgh will manage the selected projects.

The team will focus on utilizing additive manufacturing (AM), or 3D printing, to construct graded alloys use for Advanced Ultra-Super Critical (AUSC) power plants at a shorter lead time and at lower costs. Utilizing the expertise in integrated computational materials engineering (ICME), the team at Pitt will develop a new modeling framework for wire-arc additive manufacturing at UTRC that integrates both materials modeling and mechanical simulation to design and manufacture superior alloy components for these power plants.

“Wire-arc AM is a promising technique to build complex parts for fossil fuel plants. However, the operational environment of these plants requires resistance to very high stress, temperatures, and oxidation, and so we need to develop a new paradigm in computational design,” Dr. Xiong explained. Dr. To also noted, “Optimizing materials composition and processing strategy, combined with ICME modeling to improve the part design and reduce failure, will be a game-changer for the industry.”

AM has significantly expanded the development of complex parts thanks to the joining of dissimilar alloys, enabling the creation of stronger, lighter, and more affordable components compared to traditional manufacturing. In particular, the ability to control the manufacture of a part’s micro- and macro-structure is what makes these components superior, but this requires greater computational control over the manufacturing.

For these computational systems, Pitt and UTRC will utilize physics-based, process-structure-property models to simulate thermal history, melt pool geometry, phase stability, grain morphology/texture, and thus predict and control high-temperature oxidation, mechanical strength, and interface properties.

“Thanks to additive manufacturing, in the future, industrial plants of various types will have the capability to repair or replace components on-site,” Dr. Klecka at UTRC said. “This will enable utilities to improve operations and invest resources more effectively.”

Dr. Xiong’s research and the other projects fall under DOE’s Office of Fossil Energy’sCrosscutting Technology Research Program, which advances technologies that have a broad range of fossil energy applications. The program fosters innovative R&D in sensors and controls, modeling and simulation, high-performance materials, and water management.

Picnicking at the Ohiopyle State Park

The PMMD Lab enjoyed a Hiking at the Ohiopyle State Park.

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