Award Abstract # 2036359
FMRG: Artificial Intelligence Driven Cybermanufacturing of Quantum Material Architectures

NSF Org: CMMI
Div Of Civil, Mechanical, & Manufact Inn
Recipient: PRESIDENT AND FELLOWS OF HARVARD COLLEGE
Initial Amendment Date: August 21, 2020
Latest Amendment Date: October 14, 2020
Award Number: 2036359
Award Instrument: Standard Grant
Program Manager: Khershed Cooper
khcooper@nsf.gov
 (703)292-7017
CMMI
 Div Of Civil, Mechanical, & Manufact Inn
ENG
 Directorate For Engineering
Start Date: September 1, 2020
End Date: September 30, 2022 (Estimated)
Total Intended Award Amount: $3,750,000.00
Total Awarded Amount to Date: $3,750,000.00
Funds Obligated to Date: FY 2020 = $407,696.00
History of Investigator:
  • Radhika Nagpal (Principal Investigator)
    rn1627@princeton.edu
  • Aiichiro Nakano (Co-Principal Investigator)
  • Rajiv Kalia (Co-Principal Investigator)
  • Danda Rawat (Co-Principal Investigator)
  • Han Wang (Co-Principal Investigator)
Recipient Sponsored Research Office: Harvard University
1033 MASSACHUSETTS AVE STE 3
CAMBRIDGE
MA  US  02138-5366
(617)495-5501
Sponsor Congressional District: 05
Primary Place of Performance: Harvard University
60 Oxford Street
Cambridge
MA  US  02138-1903
Primary Place of Performance
Congressional District:
05
Unique Entity Identifier (UEI): LN53LCFJFL45
Parent UEI:
NSF Program(s): FM-Future Manufacturing
Primary Program Source: 01002021DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 016Z, 026Z, 054Z, 062Z, 075Z, 077E, 079Z, 081E, 083E, 084E, 092E, 094Z, 095Z, 102E, 152E, 1653, 1775, 1788, 5514, 7203, 7237, 7361, 7569, 8037, 8614, 9102
Program Element Code(s): 142Y00
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.041

ABSTRACT

Quantum material architectures consist of graphene and other two-dimensional materials, which, when stacked in precise three-dimensional architectures, exhibit unique and tunable mechanical, electrical, optical, and magnetic properties. These three-dimensional architectures have broad potential applications and are highly promising components for microchips, batteries, antennas, chemical and biological sensors, solar-cells and neural interfaces. However, currently, due to the lack of fundamental understanding of the physical and chemical processes, it has been difficult to control or scale the manufacturing of these three-dimensional structures. This Future Manufacturing (FM) grant is to develop a transformative Future Manufacturing platform for quantum material architectures using a cybermanufacturing approach, which combines artificial intelligence, robotics, multiscale modeling, and predictive simulation for the automated and parallel assembly of multiple two-dimensional materials into complex three-dimensional structures. This platform enables future production of high-quality, custom quantum material architectures for broad and critical applications, supporting continued U.S. leadership in technology development. The research in cybermanufacturing is integrated with innovative educational programs for cross-disciplinary training of scientists and engineers, especially, women and underrepresented minorities, in advanced manufacturing, artificial intelligence and quantum structures, as well as engaging the public in future manufacturing concepts.

This grant research focuses on a fundamentally new method for scalable manufacturing of 3D quantum material architectures or van der Waals heterostructures (vdWHs) using microfluidic assembly. vdWHs are composed of unlimited combinations of atomically thin layers and exhibit interesting emerging functionalities. The key process innovation is precision microfluidic folding of 2D materials, which has been demonstrated at a small-scale. This method has promising potential to scale up to wafer scale, with no fundamental limit on scaling. A second key innovation is embedding artificial intelligence (AI) across all aspects of the manufacturing process flow, from low-level precision control, to automated characterization, to high-level structure predictions. Predictive simulation and visualization tools combined with in situ spectroscopy allow real-time analysis of atomic-scale physical and chemical processes and their control. Moreover, parallel self-assembly in microfluidic environments is investigated as a pathway toward truly scalable manufacturing. The expected outcome of the award is to produce superlattices consisting of tens of atomic layers with precisely engineered stacking order and alignment, leading to fundamentally new custom quantum material architectures with electronic and photonic properties impossible to obtain from conventional material architectures. This research advances fundamental knowledge in material physics, nanoscale electronics and photonic science leading the way to manufacturing of future devices, such as twistronics. A key outcome is an AI-driven, robotics-controlled cybermanufacturing microfluidic platform that is capable of manufacturing complex structures for emerging quantum and other device applications.

This Future Manufacturing research grant is supported by the following Divisions in the Engineering Directorate: Civil, Mechanical and Manufacturing Innovation; Electrical, Communications and Cyber Systems; and Engineering Education and Centers; and the following Divisions in the Mathematical and Physical Sciences: Materials Research; Chemistry; and Mathematical Sciences.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Misawa, Masaaki and Hokyo, Hinata and Fukushima, Shogo and Shimamura, Kohei and Koura, Akihide and Shimojo, Fuyuki and Kalia, Rajiv K. and Nakano, Aiichiro and Vashishta, Priya "Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S" Scientific Reports , v.12 , 2022 https://doi.org/10.1038/s41598-022-24004-z Citation Details
Aditya, Anikeya and Mishra, Ankit and Baradwaj, Nitish and Nomura, Ken-ichi and Nakano, Aiichiro and Vashishta, Priya and Kalia, Rajiv K. "Wrinkles, Ridges, Miura-Ori, and Moiré Patterns in MoSe 2 Using Neural Networks" The Journal of Physical Chemistry Letters , v.14 , 2023 https://doi.org/10.1021/acs.jpclett.2c03539 Citation Details
Wang, Beibei and Jackson, Shane and Nakano, Aiichiro and Nomura, Ken-ichi and Vashishta, Priya and Kalia, Rajiv and Stevens, Mark "Neural Network for Principle of Least Action" Journal of Chemical Information and Modeling , v.62 , 2022 https://doi.org/10.1021/acs.jcim.2c00515 Citation Details
Fukushima, Shogo and Kalia, Rajiv K. and Nakano, Aiichiro and Shimojo, Fuyuki and Vashishta, Priya "Thickness dependence of dielectric constant of alumina films based on first-principles calculations" Applied Physics Letters , v.121 , 2022 https://doi.org/10.1063/5.0106721 Citation Details
Rajak, Pankaj and Nakano, Aiichiro and Vashishta, Priya and Kalia, Rajiv "Mechanical behavior of ultralight nickel metamaterial" Applied Physics Letters , v.118 , 2021 https://doi.org/10.1063/5.0031806 Citation Details
Muhati, Eric and Rawat, Danda B. "Hidden Markov Model Enabled Prediction and Visualization of Cyber Agility in IoT era" IEEE Internet of Things Journal , 2021 https://doi.org/10.1109/JIOT.2021.3056118 Citation Details
Salau, Babajide A. and Rawal, Atul and Rawat, Danda B. "Recent Advances in Artificial Intelligence for Wireless Internet of Things and Cyber?Physical Systems: A Comprehensive Survey" IEEE Internet of Things Journal , v.9 , 2022 https://doi.org/10.1109/JIOT.2022.3170449 Citation Details
Krishnamoorthy, Aravind and Mishra, Ankit and Kamal, Deepak and Hong, Sungwook and Nomura, Ken-ichi and Tiwari, Subodh and Nakano, Aiichiro and Kalia, Rajiv and Ramprasad, Rampi and Vashishta, Priya "EZFF: Python library for multi-objective parameterization and uncertainty quantification of interatomic forcefields for molecular dynamics" SoftwareX , v.13 , 2021 https://doi.org/10.1016/j.softx.2021.100663 Citation Details
Yan, Xiaodong and Ma, Jiahui and Wu, Tong and Zhang, Aoyang and Wu, Jiangbin and Chin, Matthew and Zhang, Zhihan and Dubey, Madan and Wu, Wei and Chen, Mike Shuo-Wei and Guo, Jing and Wang, Han "Reconfigurable Stochastic neurons based on tin oxide/MoS2 hetero-memristors for simulated annealing and the Boltzmann machine" Nature Communications , v.12 , 2021 https://doi.org/10.1038/s41467-021-26012-5 Citation Details
Burns, Kory and Tan, Anne Marie and Hachtel, Jordan A. and Aditya, Anikeya and Baradwaj, Nitish and Mishra, Ankit and Linker, Thomas and Nakano, Aiichiro and Kalia, Rajiv and Lang, Eric J. and Schoell, Ryan and Hennig, Richard G. and Hattar, Khalid and Ai "Tailoring the Angular Mismatch in MoS 2 Homobilayers through Deformation Fields" Small , 2023 https://doi.org/10.1002/smll.202300098 Citation Details

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