Fundamentals of Short-range Order-assisted Alloy Design: Thermodynamics, Kinetics, Mechanics

Project Personnel

Cemal Tasan

Principal Investigator

Takeshi Egami

James LeBeau

Wojciech Dmowski

Ju Li

Funding Divisions

Division of Civil, Mechanical, and Manufacturing Innovation (CMMI), Division of Materials Research (DMR)

This work aims to unravel what controls short-range order stabilities and characteristics, understand fundamentals of short-range order-assisted deformation micro/nano-mechanics, and design novel complex concentrated alloys that overcome current strength and toughness limits. It is necessary to understand how specific aspects of short-range order chemistry, size, and strength can be controlled, and how such variations would influence the interaction with dislocations. To this end, one of the most important challenges is regarding characterization. The typical size of the short-range ordered zones reaches the resolution limits of the conventional microscopy and diffraction tools such as the transmission electron microscopy, the atom probe tomography, and the x-ray diffraction. The research team will employ a novel, multi-pronged approach, combining theoretical modeling (ab-initio density functional theory calculation, Monte-Carlo simulation, and molecular dynamics), metallurgical processing (fabrication & testing), and atomically-resolved advanced structural characterization techniques (resonant x-ray scattering, in-situ scanning electron microscopy, and revolving scanning transmission electron microscopy) in order to overcome this challenge, and to link atomic-scale short-range order-characteristics to engineering properties at the macro-scale.

Publications

Atomistic simulations of short-range ordering with light interstitials in Inconel superalloys
T. D. Doležal, E. Tekoglu, J. Bae, G. Sim, R. Freitas, and J. Li
5/1/2025
Frictional ignition of dispersion-strengthened Ni-Cr alloys
A. Garcia Jimenez, T. Wabel, F. A. Bendana, J. D. DeSain, M. Xu, J. M. LeBeau, and Z. C. Cordero
6/1/2024
Composition-dependent transformation-induced plasticity in Co-based complex concentrated alloys
H. S. Oh, M. Xu, S. Wei, F. F. Worsnop, J. M. LeBeau, and C. C. Tasan
1/1/2024
Reinforcement Learning‐Guided Long‐Timescale Simulation of Hydrogen Transport in Metals
H. Tang, B. Li, Y. Song, M. Liu, H. Xu, G. Wang, H. Chung, and J. Li
12/7/2023
Robust deep learning framework for constitutive relations modeling
Q. Li, M. N. Cinbiz, Y. Zhang, Q. He, G. Beausoleil, and J. Li
8/1/2023
Determination of short-range order in TiVNbHf(Al)
M. Xu, S. Wei, C. C. Tasan, and J. M. LeBeau
5/1/2023
Communication-Efficient Quantum Algorithm for Distributed Machine Learning
H. Tang, B. Li, G. Wang, H. Xu, C. Li, A. Barr, P. Cappellaro, and J. Li
4/12/2023
Thousands of conductance levels in memristors integrated on CMOS
M. Rao, H. Tang, J. Wu, W. Song, M. Zhang, W. Yin, Y. Zhuo, F. Kiani, B. Chen, X. Jiang, H. Liu, H. Chen, R. Midya, F. Ye, H. Jiang, Z. Wang, M. Wu, M. Hu, H. Wang, Q. Xia, N. Ge, J. Li, and J. J. Yang
3/29/2023
First-Principles Calculation of the Temperature-Dependent Transition Energies in Spin Defects
H. Tang, A. R. Barr, G. Wang, P. Cappellaro, and J. Li
3/28/2023
High accuracy neural network interatomic potential for NiTi shape memory alloy
H. Tang, Y. Zhang, Q. Li, H. Xu, Y. Wang, Y. Wang, and J. Li
10/1/2022
Element-resolved local lattice distortion in complex concentrated alloys: An observable signature of electronic effects
H. S. Oh, K. Odbadrakh, Y. Ikeda, S. Mu, F. Körmann, C. Sun, H. S. Ahn, K. N. Yoon, D. Ma, C. C. Tasan, T. Egami, and E. S. Park
9/1/2021
Achieving room-temperature M2-phase VO2 nanowires for superior thermal actuation
Y. Zhang, K. Chen, H. Shen, Y. Wang, M. N. Hedhili, X. Zhang, J. Li, and Z. Shan
3/24/2021
Origin of micrometer-scale dislocation motion during hydrogen desorption
M. Koyama, S. M. Taheri-Mousavi, H. Yan, J. Kim, B. C. Cameron, S. S. Moeini-Ardakani, J. Li, and C. C. Tasan
6/5/2020
Pressureless two-step sintering of ultrafine-grained tungsten
X. Li, L. Zhang, Y. Dong, R. Gao, M. Qin, X. Qu, and J. Li
3/1/2020
Rafting‐Enabled Recovery Avoids Recrystallization in 3D‐Printing‐Repaired Single‐Crystal Superalloys
K. Chen, R. Huang, Y. Li, S. Lin, W. Zhu, N. Tamura, J. Li, Z. Shan, and E. Ma
2/20/2020

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Designing Materials to Revolutionize and Engineer our Future (DMREF)