Machine learning models are developed to predict basic structural parameters in refractory non-dilute random alloys [1], to quantify the structure-property relation in Cu [3], and to predict the fracture strengths of grain boundaries in Cu [5].

Large language models are used to extract band gap information [2].

Text mining is used to track the historial progress in metallic materials for extreme environments [4].

Publications

1. Zhaolong Zhang, Wu-Rong Jian, Shuozhi Xu, Xiaohu Yao, Machine learning-based prediction on fracture strengths of grain boundaries in copper, Extreme Mech. Lett. (under review)
2. Xin Wang, Anshu Raj, Yanqing Su, Shuozhi Xu, Kun Lu, Tracking 35 years of progress in metallic materials for extreme environments via text mining, Sci. Rep. (under review)
3. Mahshad Fani, William Chadwell, Nishad Tasnim, Xin Wang, Mohammad Younes Araghi, Kun Lu, Zejian Zhou, Tang Gu, Shuozhi Xu, Constructing surrogates for atomistic simulations via deep learning and generative large language models, J. Mater. Res. (revision submitted)
4. Xin Wang, Liangliang Huang, Shuozhi Xu, Kun Lu, How does a generative large language model perform on domain-specific information extraction? –-- A comparison between GPT-4 and a rule-based method on band gap extraction, J. Chem. Inf. Model. 64 (2024) 7895--7904 [PDF]
5. Cesar Ruiz, Anshu Raj, Shuozhi Xu, Multivariate Gaussian process surrogates for predicting basic structural parameters of refractory non-dilute random alloys, APL Mach. Learn. 2 (2024) 026107 [PDF]

Collaborators

• Prof. Kun Lu, University of Oklahoma
• Prof. Cesar Ruiz, University of Oklahoma

Phase-field-based methods are employed to study the static dislocation cores in Ag [4], Al [1,2,5], Au [1,4], Be [8], Cd [8], Co [8], Cu [4], Hf [8], Ir [4], Mg [8], Ni [4], Pd [4], Pt [4], Ti [8], Re [8], Rh [4], Y [8], Zn [8], Zr [8], and CoNiRu [3]. Also studied are pearlite transformation in steel [14], dislocation multiplication from Frank-Read sources in Cr [6], Mo [6], Nb [6], Ta [6], V [6], W [6], and MoNbTi [7,10], dislocation propagation in MoNbTi [10,12] and NbTaTi [12], dislocation/interface interactions in Cu [11] and Ti/Nb [15], dislocation/obsatcle interactions in Cu and Nb [9,11], as well as dislocation/void interactions in Ag, Cu, Ni, Pt, and Rh [13].

Publications

1. Nicolas Fuchs-Lynch, Mauricio De Leo, Pulkit Garg, Shuozhi Xu, Nathan Mara, Irene Beyerlein, 3D interface size effects on slip transfer in Ti/Nb nanolaminates, Int. J. Plast. (under review)
2. Mohammad Younes Araghi, Mohammad Habibi Parsa, Mostafa Ghane Ezabadi, Reza Roumina, Hamed Mirzadeh, Shuozhi Xu, Characterizing pearlite transformation in an API X60 pipeline steel through phase field modeling and experimental validation, Front. Mater. 11 (2024) 1390159 [PDF]
3. Ashley M. Roach, Shuozhi Xu, Darby J. Luscher, Daniel S. Gianola, Irene J. Beyerlein, Interaction of extended dislocations with nanovoid clusters, Int. J. Plast. 168 (2023) 103684 [PDF]
4. Hui Zheng, Lauren T.W. Fey, Xiang-Guo Li, Yong-Jie Hu, Liang Qi, Chi Chen, Shuozhi Xu, Irene J. Beyerlein, Shyue Ping Ong, Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys, npj Comput. Mater. 9 (2023) 89 [PDF]
5. Shuozhi Xu, Justin Y. Cheng, Nathan A. Mara, Irene J. Beyerlein, Dislocation dynamics in heterogeneous nanostructured materials, J. Mech. Phys. Solids 168 (2022) 105031 [PDF]
6. Lauren T. W. Fey, Shuozhi Xu, Yanqing Su, Abigail Hunter, Irene J. Beyerlein, Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys, Phys. Rev. Mater. 6 (2022) 013605 [PDF]
7. Shuozhi Xu, Justin Y. Cheng, Zezhou Li, Nathan A. Mara, Irene J. Beyerlein, Phase-field modeling of the interactions between an edge dislocation and an array of obstacles, Comput. Methods Appl. Mech. Eng. 389 (2022) 114426 [PDF]
8. Claire Albrecht, Anil Kumar, Shuozhi Xu, Abigail Hunter, Irene J. Beyerlein, Asymmetric equilibrium core structures of pyramidal-II 〈c+a〉 dislocations in ten hexagonal close packed metals, Phys. Rev. Mater. 5 (2021) 043602 [PDF]
9. Lauren T.W. Smith, Yanqing Su, Shuozhi Xu, Abigail Hunter, Irene J. Beyerlein, The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy, Int. J. Plast. 134 (2020) 102850 [PDF]
10. Shuozhi Xu, Yanqing Su, Lauren T.W. Smith, Irene J. Beyerlein, Frank-Read source operation in six body-centered cubic refractory metals, J. Mech. Phys. Solids 141 (2020) 104017 [PDF]
11. Shuozhi Xu, Jaber R. Mianroodi, Abigail Hunter, Bob Svendsen, Irene J. Beyerlein, Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al, Int. J. Plast. 129 (2020) 102689 [PDF]
12. Shuozhi Xu, Yanqing Su, Irene J. Beyerlein, Modeling dislocations with arbitrary character angle in face-centered cubic transition metals using the phase-field dislocation dynamics method with full anisotropic elasticity, Mech. Mater. 139 (2019) 103200 [PDF]
13. Yanqing Su, Shuozhi Xu, Irene J. Beyerlein, Ab initio-informed phase-field modeling of static dislocation core structures in equal-molar CoNiRu multi-principal element alloys, Modelling Simul. Mater. Sci. Eng. 27 (2019) 084001 [PDF]
14. Shuozhi Xu, Lauren Smith, Jaber R. Mianroodi, Abigail Hunter, Bob Svendsen, Irene J. Beyerlein, A comparison of different continuum approaches in modeling mixed-type dislocations in Al, Modelling Simul. Mater. Sci. Eng. 27 (2019) 074004 [PDF]
15. Shuozhi Xu, Jaber R. Mianroodi, Abigail Hunter, Irene J. Beyerlein, Bob Svendsen, Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals, Philos. Mag. 99 (2019) 1400--1428 [PDF]

Collaborators

• Prof. Irene J. Beyerlein, University of California, Santa Barbara
• Dr. Abigail Hunter, Los Alamos National Laboratory

Several significant advancements in the concurrent atomistic-continuum (CAC) method have been made: (i) new types of finite elements are developed which yields a more accurate stacking fault energies and core structure in coarse-grained atomistic descriptions of dislocations [2], (ii) zero temperature, quasistatic CAC approaches are formulated to enable the constrained multiscale optimization for a sequence of non-equilibrium dislocation configurations in metals [2], (iii) mesh refinement schemes for both fracture and curved dislocation migration are implemented [5], (iv) the CAC method is extended to body-centered cubic systems [13], and (v) the code efficiency is improved using parallelized object-oriented programming in a parallel code [11] and a CAC simulation environment named PyCAC [12].

CAC simulations are performed to study multiple plasticity problems in a variety of crystals, including compression of nano/submicro-pillars in W [13] and Au [14], H diffusion in Fe [18], fractrue in Cu [5] and ice [19], fast moving dislocations in Cu [3], screw dislocation cross-slip in Ni [8], edge dislocation bowing out from a row of collinear obstacles in Al [6], dislocation multiplication from Frank-Read sources in Cu, Ni, and Al [7], dislocation-void interactions in Ni [1], dislocation-obstacle interactions in Al [15], dislocation-stacking fault interactions in Ni, Al, and Ag [10], misfit dislocation evolution in (111) Si/Ge interface [16], {111} Ni/Cu interface, and {111} Cu/Ag interface [17], as well as sequential slip transfer of curved dislocations across a Σ3{111} coherent twin boundary in Cu, Al [4], and Ni [9], a Σ11{113} symmetric tilt grain boundary in Ni [9], and a (111) semicoherent interface in Si/Ge bilayers [16].

Publications

1. Hang Li, Thanh C. Phan, Ling Zhang, Shuozhi Xu, Ashraf Bastawros, Hui Hu, Liming Xiong, Computational characterization of the structure, energy, strengths, and fracture resistances of symmetric tilt grain boundaries in ice, ACS Appl. Mater. Interfaces (in press)
2. Yipeng Peng, Rigelesaiyin Ji, Thanh Phan, Xiang Chen, Ning Zhang, Shuozhi Xu, Ashraf Bastawros, Liming Xiong, Effect of a long-range dislocation pileup on the atomic-scale hydrogen diffusion near a grain boundary in plastically deformed bcc iron, Crystals 13 (2023) 1270 [PDF]
3. Alex Selimov, Shuozhi Xu, Youping Chen, David L. McDowell, Lattice dislocation induced misfit dislocation evolution in semi-coherent {111} bimetal interfaces, J. Mater. Res. 36 (2021) 2763--2778 [PDF]
4. Shuozhi Xu, Yang Li, Youping Chen, Si/Ge (111) semicoherent interfaces: Responses to an in-plane shear and interactions with lattice dislocations, Phys. Status Solidi (b) 257 (2020) 2000274 [PDF]
5. Shuozhi Xu, David L. McDowell, Irene J. Beyerlein, Sequential obstacle interactions with dislocations in a planar array, Acta Mater. 174 (2019) 160--172 [PDF]
6. Shuozhi Xu, Marat I. Latypov, Yanqing Su, Concurrent atomistic-continuum simulations of uniaxial compression of gold nano/submicropillars, Philos. Mag. Lett. 98 (2018) 173--182 [PDF]
7. Shuozhi Xu, Modelling plastic deformation of nano/submicron-sized tungsten pillars under compression: A coarse-grained atomistic approach, Int. J. Multiscale Comput. Eng. 16 (2018) 367--376 [PDF]
8. Shuozhi Xu, Thomas G. Payne, Hao Chen, Yongchao Liu, Liming Xiong, Youping Chen, David L. McDowell, PyCAC: The concurrent atomistic-continuum simulation environment, J. Mater. Res. 33 (2018) 857--871 [PDF]
9. Hao Chen, Shuozhi Xu, Weixuan Li, Ji Rigelesaiyin, Thanh Phan, Liming Xiong, A spatial decomposition parallel algorithm for a concurrent atomistic-continuum simulator and its preliminary applications, Comput. Mater. Sci. 144 (2018) 1--10 [PDF]
10. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell, Validation of the concurrent atomistic-continuum method on screw dislocation/stacking fault interactions, Crystals 7 (2017) 120 [PDF]
11. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell, Comparing EAM potentials to model slip transfer of sequential mixed character dislocations across two symmetric tilt grain boundaries in Ni, JOM 69 (2017) 814--821 [PDF]
12. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell, Shear stress- and line length-dependent screw dislocation cross-slip in FCC Ni, Acta Mater. 122 (2017) 412--419 [PDF]
13. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell, An analysis of key characteristics of the Frank-Read source process in FCC metals, J. Mech. Phys. Solids 96 (2016) 460--476 [PDF]
14. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell, Edge dislocations bowing out from a row of collinear obstacles in Al, Scr. Mater. 123 (2016) 135--139 [PDF]
15. Shuozhi Xu, Liming Xiong, Qian Deng, David L. McDowell, Mesh refinement schemes for the concurrent atomistic-continuum method, Int. J. Solids Struct. 90 (2016) 144--152 [PDF]
16. Shuozhi Xu, Liming Xiong, Youping Chen, David L. McDowell, Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: A concurrent atomistic-continuum study, npj Comput. Mater. 2 (2016) 15016 [PDF]
17. Liming Xiong, Ji Rigelesaiyin, Xiang Chen, Shuozhi Xu, David L. McDowell, Youping Chen, Coarse-grained elastodynamics of fast moving dislocations, Acta Mater. 104 (2016) 143--155 [PDF]
18. Shuozhi Xu, Rui Che, Liming Xiong, Youping Chen, David L. McDowell, A quasistatic implementation of the concurrent atomistic-continuum method for FCC crystals, Int. J. Plast. 72 (2015) 91--126 [PDF]
19. Liming Xiong, Shuozhi Xu, David L. McDowell, Youping Chen, Concurrent atomistic–continuum simulations of dislocation-void interactions in fcc crystals, Int. J. Plast. 65 (2015) 33--42 [PDF]

Collaborators

• Prof. David L. McDowell, Georgia Institute of Technology
• Prof. Youping Chen, University of Florida
• Prof. Liming Xiong, North Carolina State University

In the context of nanovoids, atomistic simulations are used to study 2D nanovoid growth in Cu [4,6], Fe [5], and Mg [11], 3D nanovoid growth [1] and atomic collision cascades on void evolution [2] in V.

In the context of nanopillars/wires/tubes in pure metals, atomistic simulations are used to study deformation of single crystalline nanowires [9] and nanotubes [17], twinned [7] and nanotwinned nanopillars [12], as well as nanotwinned nanotubes [10] in W.

In the context of multi-principal element alloys (MPEAs), atomistic simulations are used to study basic structural parameters in dozens of MPEAs [28,45,49,50], generalized stacking fault energies in dozens of MPEAs [20,45,49,50], local slip resistances in dozens of MPEAs [22,30,47,50], critical stresses for long dislocation glide in several MPEAs [32,51], dislocation/obstacle interactions in an MPEA [51], twin nucleation in CrFeNi [41], strengths of two HfNbTaTi-based quinaries [36], uniaxial deformation of 16 refractory MPEAs [38], as well as tension [21,35], compression [34], shock response [27,29], crack behavior [46], and melting [26] in CoCrNi.

In the context of confined layer slips (CLS), atomistic simulations are used to study the CLS processes in nanolaminated Ag [44,48], Cu [25,42], Nb [25,31], as well as Ag/Cu [44,48] and Cu/Nb [25] nanolaminates.

In the context of a single type of lattic defects, atomistic simulations are used to study dynamics of a dislocation in Cu [19], dislocation walls in Cu thin films [16], as well as Peierls stress of a dislocation in Mo [24], Nb [23,24], Ta [24], W [24], and W-based random binary alloys [40].

In the context of multi-defect interactions, atomistic simulations are used to study interactions between a dislocation and a void [19] or a helium bubble [33] in Cu, dislocation nucleation from grain boundaries in V [13], vacancy-aided grain boundary migration in Cu [18], and solute-enhanced twin boundary migration in CuAg alloy [43].

In addition, atomistic simulations are used to study tension of CNT-PMMA composites [39], nanometric cutting [3] and melting point [8] of Si, tension of a Ni-Mo dilute alloy [37], uniaxial deformation [14] and nanoindentation [15] of 3C-SiC.

Publications

1. Anshu Raj, Jamieson M. Brechtl, Subah Mubassira, Peter K. Liaw, Shuozhi Xu, Atomic-level understanding of dislocation glide and dislocation-obstacle interactions in a multi-principal element alloy, npj Comput. Mater. (under review)
2. Anshu Raj, Subah Mubassira, Shuozhi Xu, Generalized stacking fault energies and local slip resistances in Al_0.3CoCrFeNi: An atomistic study, Metals (under review)
3. Subah Mubassira, Mahshad Fani, Anshu Raj, Cliff Hirt, Richard S. Brinlee, Amin Poozesh, Wu-Rong Jian, Saeed Zare Chavoshi, Chanho Lee, Shuozhi Xu, Chemical short-range order and its influence on selected properties of non-dilute random alloys, Comput. Mater. Sci. 248 (2025) 113587 [PDF]
4. Mahshad Fani, Luis Cervantes, Anshu Raj, Shuozhi Xu, Effects of irradiation-induced voids on confined layer slips in metallic nanolaminates, J. Chem. Phys. 161 (2024) 214702 [PDF]
5. Tianyi Wang, Jiuyin Li, Mian Wang, Chengzhi Li, Yanqing Su, Shuozhi Xu, Xiang-Guo Li, Unravelling dislocation-based strengthening in refractory multi-principal element alloys, npj Comput. Mater. 10 (2024) 143 [PDF]
6. Wu-Rong Jian, Shuozhi Xu, Dengke Chen, Irene J. Beyerlein, Chemical short-range order enhances fracture toughness of medium entropy alloy CoCrNi, Appl. Phys. Lett. 124 (2024) 171903 [PDF] [Featured]
7. Subah Mubassira, Wu-Rong Jian, Shuozhi Xu, Effects of chemical short‑range order and temperature on basic structure parameters and stacking fault energies in multi‑principal element alloys, Modelling 5 (2024) 352--366 [PDF] [Invited]
8. Mahshad Fani, Wu-Rong Jian, Yanqing Su, Shuozhi Xu, Confined layer slip process in nanolaminated Ag and two Ag/Cu nanolaminates, Materials 17 (2024) 501 [PDF] [Invited]
9. Dengke Chen, Yin Zhang, Shuozhi Xu, Solute-enhanced twin boundary migration in CuAg alloy, J. Appl. Phys. 135 (2024) 045104 [PDF]
10. Weisen Ji, Wu-Rong Jian, Yanqing Su, Shuozhi Xu, Irene J. Beyerlein, Role of stacking fault energy in confined layer slip in nanolaminated Cu, J. Mater. Sci. 59 (2024) 4775--4787 [PDF] [Cover]
11. Jinjin Guo, Shuozhi Xu, Dengke Chen, Elucidating the hydrogen influence on twin nucleation in FeNiCr medium-entropy alloy, Extreme Mech. Lett. 65 (2023) 102107 [PDF]
12. Abdullah Al Mamun, Shuozhi Xu, Xiang-Guo Li, Yanqing Su, Comparing interatomic potentials in calculating basic structural parameters and Peierls stress in tungsten-based random binary alloys, Phys. Scr. 98 (2023) 105923 [PDF]
13. Anshu Raj, Sk Md Ahnaf Akif Alvi, Khayrul Islam, Mohammad Motalab, Shuozhi Xu, An atomistic study of the tensile deformation of carbon nanotube-polymethylmethacrylate composites, Polymers 15 (2023) 2956 [PDF]
14. Shuozhi Xu, Abdullah Al Mamun, Sai Mu, Yanqing Su, Uniaxial deformation of nanowires in 16 refractory multi-principal element alloys, J. Alloys Compd. 959 (2023) 170556 [PDF]
15. Xiang-Guo Li, Shuozhi Xu, Qian Zhang, Shenghua Liu, Jing Shuai, Complex strengthening mechanisms in nanocrystalline Ni-Mo alloys revealed by a machine-learning interatomic potential, J. Alloys Compd. 952 (2023) 169964 [PDF]
16. Shuozhi Xu, Wu-Rong Jian, Irene J. Beyerlein, Ideal simple shear strengths of two HfNbTaTi-based quinary refractory multi-principal element alloys, APL Mater. 10 (2022) 111107 [PDF]
17. Ankit Gupta, Wu-Rong Jian, Shuozhi Xu, Irene J. Beyerlein, Garritt J. Tucker, On the deformation behavior of CoCrNi medium entropy alloys: Unraveling mechanistic competition, Int. J. Plast. 159 (2022) 103442 [PDF]
18. Zhuocheng Xie, Wu-Rong Jian, Shuozhi Xu, Irene J. Beyerlein, Xiaoqing Zhang, Xiaohu Yao, Run Zhang, Phase transition in medium entropy alloy CoCrNi under quasi-isentropic compression, Int. J. Plast. 157 (2022) 103389 [PDF]
19. Wu-Rong Jian, Shuozhi Xu, Yanqing Su, Irene J. Beyerlein, Energetically favorable dislocation/nanobubble bypass mechanism in irradiation conditions, Acta. Mater. 230 (2022) 117849 [PDF]
20. Shuozhi Xu, Wu-Rong Jian, Yanqing Su, Irene J. Beyerlein, Line-length-dependent dislocation glide in refractory multi-principal element alloys, Appl. Phys. Lett. 120 (2022) 061901 [PDF] [Editor's Pick]
21. Wu-Rong Jian, Shuozhi Xu, Yanqing Su, Irene J. Beyerlein, Role of layer thickness and dislocation distribution in confined layer slip in nanolaminated Nb, Int. J. Plast. 152 (2022) 103239 [PDF]
22. Rebecca A. Romero, Shuozhi Xu, Wu-Rong Jian, Irene J. Beyerlein, C.V. Ramana, Atomistic calculations of the local slip resistances in four refractory multi-principal element alloys, Int. J. Plast. 149 (2022) 103157 [PDF]
23. Wu-Rong Jian, Zhuocheng Xie, Shuozhi Xu, Xiaohu Yao, Irene J. Beyerlein, Shock-induced amorphization in medium entropy alloy CoCrNi, Scr. Mater. 209 (2022) 114379 [PDF]
24. Shuozhi Xu, Saeed Zare Chavoshi, Yanqing Su, On calculations of basic structural parameters in multi-principal element alloys using small atomistic models, Comput. Mater. Sci. 202 (2022) 110942 [PDF]
25. Zhuocheng Xie, Wu-Rong Jian, Shuozhi Xu, Xiaoqing Zhang, Zhihua Wang, Irene J. Beyerlein, Xiaohu Yao, Role of local chemical fluctuations in the shock dynamics of medium entropy alloy CoCrNi, Acta Mater. 221 (2021) 117380 [PDF]
26. Wu-Rong Jian, Liang Wang, Wenbo Bi, Shuozhi Xu, Irene J. Beyerlein, Role of local chemical fluctuations in the melting of medium entropy alloy CoCrNi, Appl. Phys. Lett. 119 (2021) 121904 [PDF]
27. Wu-Rong Jian, Yanqing Su, Shuozhi Xu, Weisen Ji, Irene J. Beyerlein, Effect of interface structure on dislocation glide behavior in nanolaminates, J. Mater. Res. 36 (2021) 2802--2815 [PDF] [Invited]
28. Xiaowang Wang, Shuozhi Xu, Wu-Rong Jian, Xiang-Guo Li, Yanqing Su, Irene J. Beyerlein, Generalized stacking fault energies and Peierls stresses in refractory body-centered cubic metals from machine learning-based interatomic potentials, Comput. Mater. Sci. 192 (2021) 110364 [PDF]
29. Wu-Rong Jian, Shuozhi Xu, Irene J. Beyerlein, On the significance of model design in atomistic calculations of the Peierls stress in Nb, Comput. Mater. Sci. 188 (2021) 110150 [PDF]
30. Shuozhi Xu, Yanqing Su, Wu-Rong Jian, Irene J. Beyerlein, Local slip resistances in equal-molar MoNbTi multi-principal element alloy, Acta Mater. 202 (2021) 68--79 [PDF]
31. Wu-Rong Jian, Zhuocheng Xie, Shuozhi Xu, Yanqing Su, Xiaohu Yao, Irene J. Beyerlein, Effects of lattice distortion and chemical short-range order on the mechanisms of deformation in medium entropy alloy CoCrNi, Acta Mater. 199 (2020) 352--369 [PDF]
32. Shuozhi Xu, Emily Hwang, Wu-Rong Jian, Yanqing Su, Irene J. Beyerlein, Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys, Intermetallics 124 (2020) 106844 [PDF]
33. Wu-Rong Jian, Min Zhang, Shuozhi Xu, Irene J. Beyerlein, Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study, Modelling Simul. Mater. Sci. Eng. 28 (2020) 045004 [PDF]
34. Dengke Chen, Shuozhi Xu, Yashashree Kulkarni, Atomistic mechanism for vacancy-enhanced grain boundary migration, Phys. Rev. Mater. 4 (2020) 033602 [PDF]
35. Travis Trusty, Shuozhi Xu, Irene J. Beyerlein, Atomistic simulations of tungsten nanotubes under uniform tensile loading, J. Appl. Phys. 126 (2019) 095105 [PDF]
36. Jun Xu, Shuozhi Xu, Irene J. Beyerlein, Atomistic simulations of dipole tilt wall stability in thin films, Thin Solid Films 689 (2019) 137457 [PDF]
37. Saeed Zare Chavoshi, Shuozhi Xu, Twinning effects in the single/nanocrystalline cubic silicon carbide subjected to nanoindentation loading, Materialia 3 (2018) 304--325 [PDF]
38. Saeed Zare Chavoshi, Shuozhi Xu, Tension-compression asymmetry in plasticity of nanotwinned 3C-SiC nanocrystals, J. Appl. Phys. 124 (2018) 095103 [PDF]
39. Shuozhi Xu, Yanqing Su, Dislocation nucleation from symmetric tilt grain boundaries in body-centered cubic vanadium, Phys. Lett. A 382 (2018) 1185--1189 [PDF]
40. Shuozhi Xu, Saeed Zare Chavoshi, Yanqing Su, Deformation mechanisms in nanotwinned tungsten nanopillars: Effects of coherent twin boundary spacing, Phys. Status Solidi RRL 12 (2018) 1700399 [PDF]
41. Shuozhi Xu, Yanqing Su, Saeed Zare Chavoshi, Deformation of periodic nanovoid structures in Mg single crystals, Mater. Res. Express 5 (2018) 016523 [PDF]
42. Shuozhi Xu, Saeed Zare Chavoshi, Uniaxial deformation of nanotwinned nanotubes in body-centered cubic tungsten, Curr. Appl. Phys. 18 (2018) 114--121 [PDF]
43. Shuozhi Xu, Yanqing Su, Dengke Chen, Longlei Li, An atomistic study of the deformation behavior of tungsten nanowires, Appl. Phys. A 123 (2017) 788 [PDF]
44. Saeed Zare Chavoshi, Shuozhi Xu, Saurav Goel, Addressing the discrepancy of finding equilibrium melting point of silicon using MD simulations, Proc. R. Soc. A 473 (2017) 20170084 [PDF]
45. Shuozhi Xu, Jacob K. Startt, Thomas G. Payne, Chaitanya S. Deo, David L. McDowell, Size-dependent plastic deformation of twinned nanopillars in body-centered cubic tungsten, J. Appl. Phys. 121 (2017) 175101 [PDF]
46. Shuozhi Xu, Yanqing Su, Dengke Chen, Longlei Li, Plastic deformation of Cu single crystals containing an elliptic cylindrical void, Mater. Lett. 193 (2017) 283--287 [PDF]
47. Shuozhi Xu, Yanqing Su, Nanovoid growth in BCC α-Fe: Influences of initial void geometry, Modelling Simul. Mater. Sci. Eng. 24 (2016) 085015 [PDF]
48. Yanqing Su, Shuozhi Xu, On the role of initial void geometry in plastic deformation of metallic thin films: A molecular dynamics study, Mater. Sci. Eng. A 678 (2016) 153--164 [PDF]
49. Saeed Zare Chavoshi, Shuozhi Xu, Xichun Luo, Dislocation-mediated plasticity in silicon during nanometric cutting: A molecular dynamics simulation study, Mater. Sci. Semicond. Process. 51 (2016) 60--70 [PDF]
50. S.Z. Xu, Z.M. Hao, Y.Q. Su, W.J. Hu, Y. Yu, Q. Wan, Atomic collision cascades on void evolution in vanadium, Radiat. Eff. Def. Solids 167 (2012) 12--25 [PDF]
51. S.Z. Xu, Z.M. Hao, Y.Q. Su, Y. Yu, Q. Wan, W.J. Hu, An analysis on nanovoid growth in body-centered cubic single crystalline vanadium, Comput. Mater. Sci. 50 (2011) 2411--2421 [PDF]

Collaborators

• Prof. Xiang-Guo Li, Sun Yat-sen University
• Prof. Dengke Chen, Shanghai Jiao Tong Uiversity
• Dr. Wu-Rong Jian, Stanford Uiversity

Density functional theory calculations are conducted to obtain generalized stacking fault energies in eight FCC transition metals including Ag, Au, Cu, Ir, Ni, Pd, Pt, and Rh [1], as well as basic structural parameters of Fe-based random binary alloys [2].

Publications

1. Shuozhi Xu, Arjun S. Kulathuvayal, Liming Xiong, Yanqing Su, Effects of ferromagnetism in ab initio calculations of basic structural parameters of Fe-A (A = Mo, Nb, Ta, V, or W) random binary alloys, Eur. Phys. J. B 95 (2022) 167 [PDF]
2. Yanqing Su, Shuozhi Xu, Irene J. Beyerlein, Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals, J. Appl. Phys. 126 (2019) 105112 [PDF] [Cover] [Featured]

Collaborator

• Prof. Yanqing Su, Utah State University

Dislocation dynamics in MoNbTi [1], Nb films on Y-stabilized Zr substrates [2], deformation of MnCu₂Al intermetallic [6], grain boundary character distribution in BaCe_0.4Zr_0.4Y_0.1Yb_0.1O_3-δ [7], as well as structures [4] and deformatoin [3,5] of Cu/Nb nanolaminates with 3D interfaces are studied.

Publications

1. Sooraj Patel, Sumit Goswami, Pralay Paul, Fan Liu, Shuanglin Zheng, Julian E. Sabisch, Chuancheng Duan, Thirumalai Venkatesan, Hanjong Paik, Hanping Ding, Pejman Kazempoor, Shuozhi Xu, Dong Ding, Iman Ghamarian, Orientation microscopy-assisted grain boundary analysis for protonic ceramic cell electrolytes, J. Am. Ceram. Soc. (in press)
2. Bailey E. Rhodes, Justin A. Mayer, Shuozhi Xu, James D. Lamb, Joe Wendorf, McLean P. Echlin, Tresa M. Pollock, Ram Seshadri, Yolita M. Eggeler, Irene J. Beyerlein, Daniel S. Gianola, Deformation mechanisms and defect structures in Heusler intermetallic MnCu₂Al, Acta Mater. 268 (2024) 119711 [PDF]
3. Justin Y. Cheng, Jiaxiang Wang, Youxing Chen, Shuozhi Xu, Javier G. Barriocanal, J. Kevin Baldwin, Irene J. Beyerlein, Nathan A. Mara, 3D interfaces enhance nanolaminate strength and deformability in multiple loading orientations, Acta Mater. 267 (2024) 119697 [PDF]
4. Zezhou Li, Justin Y. Cheng, Jonathan D. Poplawsky, Shuozhi Xu, Jon K. Baldwin, Irene J. Beyerlein, Nathan A. Mara, Critical length scales for chemical heterogeneity at Cu/Nb 3D interfaces by atomic probe tomography, Scr. Mater. 223 (2023) 115078 [PDF]
5. Justin Y. Cheng, Shuozhi Xu, Youxing Chen, Zezhou Li, Jon K. Baldwin, Irene J. Beyerlein, Nathan A. Mara, Simultaneous high strength and deformable nanolaminates with thick biphase interfaces, Nano Lett. 22 (2022) 1897--1904 [PDF]
6. C. V. Ramana, Nanthakishore Makeswaran, Vishal Zade, Debabrata Das, Susheng Tan, Shuozhi Xu, Irene J. Beyerlein, Fabrication and characterization of high-quality epitaxial nanocolumnar niobium films with abrupt interfaces on YSZ(001), J. Phys. Chem. C 126 (2022) 2098--2107 [PDF] [Cover]
7. Fulin Wang, Glenn H. Balbus, Shuozhi Xu, Yanqing Su, Jungho Shin, Paul F. Rottmann, Keith E. Knipling, Jean-Charles Stinville, Leah H. Mills, Oleg N. Senkov, Irene J. Beyerlein, Tresa M. Pollock, Daniel S. Gianola, Multiplicity of dislocation pathways in a refractory multiprincipal element alloy, Science 370 (2020) 95--101 [PDF] [Perspective]

Collaborators

• Prof. Daniel S. Gianola, University of California, Santa Barbara
• Prof. Nathan Mara, University of Minnesota, Twin Cities
• Prof. Iman Ghamarian, University of OKlahoma

Progress in CAC [1], phase-field dislocation dynamics [7], mesoscale modeling methods for metallic alloys [6], metal additive manufacturing processes [8,9,10], as well as applications of general multiscale modeling to dislocation, heat conduction [4], and nanoindentation/scratching [5], are reviewed. Experimental progresses in high temperature nanoindentation [2] and nanoscratching [3] are also summarized.

Publications

1. Mohammad Younes Araghi, Ali Dashti, Mahshad Fani, Cesar Ruiz, Shuozhi Xu, Melt-based additive manufacturing of refractory metals and alloys: Experiments and modeling, J. Mater. Eng. Perform. (under review)
2. Sooraj Patel, Anvesh Nathani, Amin Poozesh, Shuozhi Xu, Pejman Kazempoor, Iman Ghamarian, Combining neural networks and genetic algorithms to understand composition-microstructure-property relationships in additively manufactured metals, J. Manuf. Mater. Process. 8 (2024) 269 [PDF]
3. Shuozhi Xu, Mohammad Younes Araghi, Yanqing Su, Physics-based modeling of metal additive manufacturing processes: a review, Int. J. Adv. Manuf. Tech. 134 (2024) 1--13 [PDF]
4. Shuozhi Xu, Recent progress in the phase-field dislocation dynamics method, Comput. Mater. Sci. 210 (2022) 111419 [PDF] [Invited]
5. Irene J. Beyerlein, Shuozhi Xu, Javier LLorca, Jaafar A. El-Awady, Jaber R. Mianroodi, Bob Svendsen, Alloy design for mechanical properties: Conquering the length scales, MRS Bull. 44 (2019) 257--265 [PDF]
6. Saeed Zare Chavoshi, Shuozhi Xu, Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modelling, Prog. Mater. Sci. 100 (2019) 1--20 [PDF]
7. Shuozhi Xu, Xiang Chen, Modeling dislocations and heat conduction in crystalline materials: atomistic/continuum coupling approaches, Int. Mater. Rev. 64 (2019) 407--438 [PDF] [Invited]
8. Saeed Zare Chavoshi, Shuozhi Xu, A review on micro- and nanoscratching/tribology at high temperatures: Instrumentation and experimentation, J. Mater. Eng. Perform. 27 (2018) 3844--3858 [PDF] [Editor's Choice]
9. Saeed Zare Chavoshi, Shuozhi Xu, Temperature-dependent nanoindentation response of materials, MRS Comm. 8 (2018) 15--28 [PDF]
10. Shuozhi Xu, Ji Rigelesaiyin, Liming Xiong, Youping Chen, David L. McDowell, Generalized continua concepts in coarse-graining atomistic simulations, in Generalized Models and Non-Classical Approaches in Complex Materials 2 (ed: Holm Altenbach, Joël Pouget, Martine Rousseau, Bernard Collet, Thomas Michelitsch), Springer, Cham, 2018, pp 237--260 [PDF]

To date, I have contributed to two conference proceedings articles, regarding atomistic simulations [1] and phase-field modeling [2], respectively.

Publications

1. S Xu, J Y Cheng, N A Mara, I J Beyerlein, Thick interface size effect on dislocation transmission in nanolaminates, IOP Conf. Ser.: Mater. Sci. Eng. 1249 (2022) 012005 [PDF]
2. S Z Xu, Z M Hao, Q Wan, A molecular dynamics study of void interaction in copper, IOP Conf. Ser.: Mater. Sci. Eng. 10 (2010) 012175 [PDF]

To date, I have edited two special issues.

Publications

1. Jia Li, Shuozhi Xu, Mohsen Asle Zaeem, Editorial: Modeling and simulation of the mechanical behavior of multi-principal element materials, Front. Mater. 9 (2022) 942523 [PDF]
2. Shuozhi Xu, Marat I. Latypov, Jaafar A. El-Awady, Irene J. Beyerlein, Intrinsic and extrinsic size effects in materials, J. Mater. Res. 34 (2019) 2147 [PDF]