In prep:

Arjun Sathyan Kulathuvayal, Sai Mu, Yanqing Su, Ionic transport through solid electrolyte interphase of Li-ion batteries: A holistic review spans on the first-principle methodologies, Electrochim. Acta 

Abdullah Al Mamun, Yanqing Su, Performance assessment of different machine learning potentials in predicting atomistic characteristics of tungsten-based random binary alloys, Modelling Simul. Mater. Sci. Eng.  [Invited]

Weisen Ji, Wu-Rong Jian, Shuozhi Xu, Yanqing Su, Irene J. Beyerlein, Effects of stacking fault energies on confined layer slips in Cu, J. Mater. Sci. 

Shuozhi Xu, Abdullah Al Mamun, Sai Mu, Yanqing Su, Uniaxial deformation of nanowires in 16 refractory multi-principal element alloys, J. Appl. Phys. [Invited]

Publications:

Shuozhi Xu, Arjun Sathyan Kulathuvayal, Liming Xiong, Yanqing Su, Effects of ferromagnetism in ab initio calculations of basic structural parameters in Fe-A (A = Mo, Nb, Ta, V, or W) random binary alloys, http://dx.doi.org/10.1140/epjb/s10051-022-00431-9 Eur. Phys. J. B (accepted on Sep 30, 2022)

Yanqing Su, M. Arul Kumar, Irene J. Beyerlein, Critical shape for the growth of grain boundary twin embryos in Mg and Mg alloys: Crystal plasticity modeling, http://dx.doi.org/10.3390/alloys1020013 Alloys 1 (2022) 212--231

Wu-Rong Jian, Shuozhi Xu, Yanqing Su, Irene J. Beyerlein, Energetically favorable dislocation/nanobubble bypass mechanism in irradiation conditions, http://dx.doi.org/10.1016/j.actamat.2022.117849 Acta Mater. 230 (2022) 117849

Shuozhi Xu, Wu-Rong Jian, Yanqing Su, Irene J. Beyerlein, Line-length-dependent dislocation glide in refractory multi-principal element alloys, http://dx.doi.org/10.1063/5.0080849 Appl. Phys. Lett. 120 (2022) 061901 [Editor's Pick]

Wu-Rong Jian, Shuozhi Xu, Yanqing Su, Irene J. Beyerlein, Role of layer thickness and dislocation distribution in confined layer slip in nanolaminated Nb, http://dx.doi.org/10.1016/j.ijplas.2022.103239 Int. J. Plast. 152 (2022) 103239

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, http://dx.doi.org/10.1103/PhysRevMaterials.6.013605 Phys. Rev. Mater. 6 (2022) 013605

Shuozhi Xu, Saeed Zare Chavoshi, Yanqing Su, On calculations of basic structural parameters in multi-principal element alloys using small atomistic models, http://dx.doi.org/10.1016/j.commatsci.2021.110942 Comput. Mater. Sci. 202 (2022) 110942

Wu-Rong Jian, Yanqing Su, Shuozhi Xu, Weisen Ji, Irene J. Beyerlein, Effect of interface structure on dislocation glide behavior in nanolaminates, http://dx.doi.org/10.1557/s43578-021-00261-y J. Mater. Res. 36 (2021) 2802-–2815

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, http://dx.doi.org/10.1016/j.commatsci.2021.110364 Comput. Mater. Sci. 192 (2021) 110364

Shuozhi Xu, Yanqing Su, Wu-Rong Jian, Irene J.\ Beyerlein, Local slip resistances in equal-molar MoNbTi multi-principal element alloy, http://dx.doi.org/10.1016/j.actamat.2020.10.042 Acta Mater. 202 (2021) 68--79

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, http://dx.doi.org/10.1016/j.ijplas.2020.102850 Int. J. Plast. 134 (2020) 102850

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, http://dx.doi.org/10.1016/j.actamat.2020.08.044 Acta Mater. 28 (2020) 045004

Wang, F., Balbus, G.H., Xu, S., Su, Y., Shin, J., Rottmann, P.F., Knipling, K.E., Stinville, J.C., Mills, L.H., Senkov, O.N., Beyerlein, I.J., Pollock, T.M., Gianola, D.S., 2020. Multiplicity of dislocation pathways in a refractory multiprincipal element alloy. Science 370, 95–101. https://doi.org/10.1126/science.aba3722

Li, L.-L., Su, Y., Beyerlein, I.J., Han, W.-Z., 2020. Achieving room-temperature brittle-to-ductile transition in ultrafine layered Fe-Al alloys. Science Advances 6, eabb6658. https://doi.org/10.1126/sciadv.abb6658

Smith, L.T.W., Su, Y., Xu, S., Hunter, A., Beyerlein, I.J., 2020. The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy. International Journal of Plasticity 134, 102850. https://doi.org/10.1016/j.ijplas.2020.102850

Jian, W.-R., Xie, Z., Xu, S., Su, Y., Yao, X., Beyerlein, I.J., 2020. Effects of lattice distortion and chemical short-range order on the mechanisms of deformation in medium entropy alloy CoCrNi. Acta Materialia 199, 352–369. https://doi.org/10.1016/j.actamat.2020.08.044

Xu, S., Hwang, E., Jian, W.-R., Su, Y., Beyerlein, I.J., 2020a. Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys. Intermetallics 124, 106844. https://doi.org/10.1016/j.intermet.2020.106844

Xu, S., Su, Y., Smith, L.T.W., Beyerlein, I.J., 2020b. Frank-Read source operation in six body-centered cubic refractory metals. Journal of the Mechanics and Physics of Solids 141, 104017. https://doi.org/10.1016/j.jmps.2020.104017

Kumar, A., Kedjar, B., Su, Y., Thilly, L., Beyerlein, I.J., 2020. Atomic-level calculations and experimental study of dislocations in InSb. Journal of Applied Physics 127, 135104. https://doi.org/10.1063/1.5139285

Su, Y., Ardeljan, M., Knezevic, M., Jain, M., Pathak, S., Beyerlein, I.J., 2020. Elastic constants of pure body-centered cubic Mg in nanolaminates. Computational Materials Science 174, 109501. https://doi.org/10.1016/j.commatsci.2019.109501

Xu, S., Su, Y., Beyerlein, I.J., 2019. Modeling dislocations with arbitrary character angle in face-centered cubic transition metals using the phase-field dislocation dynamics method with full anisotropic elasticity. Mechanics of Materials 139, 103200. https://doi.org/10.1016/j.mechmat.2019.103200

Su, Y., Xu, S., Beyerlein, I.J., 2019a. Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals. Journal of Applied Physics 126, 105112. https://doi.org/10.1063/1.5115282

Su, Y., Xu, S., Beyerlein, I.J., 2019b. Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys. Modelling Simul. Mater. Sci. Eng. 27, 084001. https://doi.org/10.1088/1361-651X/ab3b62

Xu, S., Chavoshi, S.Z., Su, Y., 2018a. Deformation Mechanisms in Nanotwinned Tungsten Nanopillars: Effects of Coherent Twin Boundary Spacing. physica status solidi (RRL) – Rapid Research Letters 12, 1700399. https://doi.org/10.1002/pssr.201700399

Xu, S., Latypov, M.I., Su, Y., 2018b. Concurrent atomistic-continuum simulations of uniaxial compression of gold nano/submicropillars. Philosophical Magazine Letters 98, 173–182. https://doi.org/10.1080/09500839.2018.1515506

Xu, S., Su, Y., Chavoshi, S.Z., 2018c. Deformation of periodic nanovoid structures in Mg single crystals. Mater. Res. Express 5, 016523. https://doi.org/10.1088/2053-1591/aaa678

Xu, S., Su, Y., 2018. Dislocation nucleation from symmetric tilt grain boundaries in body-centered cubic vanadium. Physics Letters A 382, 1185–1189. https://doi.org/10.1016/j.physleta.2018.03.002

Xu, S., Su, Y., Chen, D., Li, L., 2017a. An atomistic study of the deformation behavior of tungsten nanowires. Appl. Phys. A 123, 788. https://doi.org/10.1007/s00339-017-1414-3

Xu, S., Su, Y., Chen, D., Li, L., 2017b. Plastic deformation of Cu single crystals containing an elliptic cylindrical void. Materials Letters 193, 283–287. https://doi.org/10.1016/j.matlet.2017.02.005

Su, Y., Huber, C., 2017. The effect of nonlinear decompression history on H2O/CO2 vesiculation in rhyolitic magmas. Journal of Geophysical Research: Solid Earth 122, 2712–2723. https://doi.org/10.1002/2016JB013812

Xu, S., Su, Y., 2016. Nanovoid growth in BCC$\upalpha$-Fe: influences of initial void geometry. Modelling Simul. Mater. Sci. Eng. 24, 085015. https://doi.org/10.1088/0965-0393/24/8/085015

Su, Y., Huber, C., Bachmann, O., Zajacz, Z., Wright, H., Vazquez, J., 2016. The role of crystallization-driven exsolution on the sulfur mass balance in volcanic arc magmas. Journal of Geophysical Research: Solid Earth 121, 5624–5640. https://doi.org/10.1002/2016JB013184

Su, Y., Xu, S., 2016. On the role of initial void geometry in plastic deformation of metallic thin films: A molecular dynamics study. Materials Science and Engineering: A 678, 153–164. https://doi.org/10.1016/j.msea.2016.09.091

Parmigiani, A., Faroughi, S., Huber, C., Bachmann, O., Su, Y., 2016. Bubble accumulation and its role in the evolution of magma reservoirs in the upper crust. Nature 532, 492–495. https://doi.org/10.1038/nature17401

Huber, C., Su, Y., 2015. A pore-scale investigation of the dynamic response of saturated porous media to transient stresses. Geofluids 15, 11–23. https://doi.org/10.1111/gfl.12087

Huber, C., Su, Y., Nguyen, C.T., Parmigiani, A., Gonnermann, H.M., Dufek, J., 2014. A new bubble dynamics model to study bubble growth, deformation, and coalescence. Journal of Geophysical Research: Solid Earth 119, 216–239. https://doi.org/10.1002/2013JB010419

Su, Y., Lu, Q., Gao, X., Huang, C., Wang, S., 2012a. Ion dynamics at supercritical quasi-parallel shocks: Hybrid simulations. Physics of Plasmas 19, 092108. https://doi.org/10.1063/1.4752219

Su, Y., Lu, Q., Huang, C., Wu, M., Gao, X., Wang, S., 2012b. Particle acceleration and generation of diffuse superthermal ions at a quasi-parallel collisionless shock: Hybrid simulations. Journal of Geophysical Research: Space Physics 117. https://doi.org/10.1029/2012JA017736

Shan, L., Lu, Q., Zhang, T.L., Gao, X., Huang, C., Su, Y., Wang, S., 2013. Comparison between magnetic coplanarity and MVA methods in determining the normal of Venusian bow shock. Chinese Science Bulletin 58. https://doi.org/10.1007/s11434-013-5675-8

Xu, S.Z., Hao, Z.M., Su, Y.Q., Hu, W.J., Yu, Y., Wan, Q., 2012. Atomic collision cascades on void evolution in vanadium. Radiation Effects and Defects in Solids 167, 12–25. https://doi.org/10.1080/10420150.2011.613393

Su, Y.-Q., Lu, Q.-M., 2012. Cross-Shock Electrostatic Potential and Ion Reflection in Quasi-Parallel Supercritical Collisionless Shocks. Chinese Phys. Lett. 29, 089601. https://doi.org/10.1088/0256-307X/29/8/089601

Xu, S.Z., Hao, Z.M., Su, Y.Q., Yu, Y., Wan, Q., Hu, W.J., 2011. An analysis on nanovoid growth in body-centered cubic single crystalline vanadium. Computational Materials Science 50, 2411–2421. https://doi.org/10.1016/j.commatsci.2011.03.019