Publications

Publications from Integrated Computational Materials Engineering.

  • 2019
    • X. Li, H. Zhang, P. Wang, J. Hou, J. Lu, C. D. Easton, X. Zhang, M. R. Hill, A. W. Thornton, J. Z. Liu, B. D. Freeman, A. J. Hill, L. Jiang, H. Wang “Ultraselective and ultrafast fluoride ion conduction in sub-1-nanometer porous metal-organic frameworks channels” Nature Communications (accepted on 5 March, 2019)
  • 2018
    • Tesfaye T. Molla, J. Z. Liu, G. B. Schaffer “An ICME Framework for Design of Stainless Steel for Sintering” Integrating Materials and Manufacturing Innovation (2018) 7 pp136-147 https://doi.org/10.1007/s40192-018-0115-x
    • K. Chen, J. Deng, X. Ding, J. Sun, S. Yang, and, J. Z. Liu “Ferromagnetism of 1T’-MoS2 Nanoribbons stabilized by edge reconstruction and its periodic variation on nanoribbons width” Journal of the American Chemical Society 140, 16206 (2018) https://pubs.acs.org/doi/abs/10.1021/jacs.8b09247
    • X. Kong, J. Deng, L Li, Y. Liu, X. Ding , J. Sun, and J. Z. Liu “Tunable auxetic properties in group-IV monochalcogenides monolayers” Physical Review B 98, 184104 (2018) https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.184104
    • C. Zheng, L. Yu, L. Zhu, J. L. Collins, D. Kim, Y. Lou, M. Li, Z. Wei, Y. Zhang, Y Zhu, M. T. Edmonds, S. Li, J. Seidel, J. Z. Liu, W.-X. Tang, and M. S. Fuhrer “Room-temperature in-plane ferroelectricity in van der Waals In2Se3” Science Advances 4, eaar7720 (2018) https://advances.sciencemag.org/content/4/7/eaar7720
    • C. Cheng, G. Jiang, G. P. Simon, J. Z. Liu, and D. Li “Low-voltage electrostatic modulation of ion diffusion through layered graphene-based nanoporous membranes” Nature Nanotechnology 13, 685 (2018) * highlighted in News & Views “Moving ions confined between graphene sheets” in Nature Nanotechnology 13, 625 (2018) https://doi.org/10.1038/s41565-018-0181-4
    • R. Bakhtiari, J. Z. Liu, B. S. Shariat, H. Yang, and Y. Liu “Role of hydrostatic pressure on the phase stability, the ground state, and the transformation pathways of NiTi alloy” Scripta Materialia 151, 57 (2018) https://www.sciencedirect.com/science/article/pii/S1359646218302082
    • X. Xiong, S. Z. Shen, L. Hua, J. Z. Liu, X. Li, X. Wan, and M. Miao “Finite element models of natural fibers and their composites: A review” Journal of Reinforced Plastics and Composites 37, 617 (2018) https://journals.sagepub.com/doi/10.1177/0731684418755552
    • Y. Lou, J. Deng, and J. Z. Liu “Density functional theory computational study of ferroelectricity and piezoelectricity in BaTiO3/PbTiO3 (011) superlattices” Journal of Physics: Condensed Matter 30, 155401 (2018) https://iopscience.iop.org/article/10.1088/1361-648X/aab2bd/meta
    • G. Jiang, P. Wang, C. Cheng, D. Li, and J. Z. Liu “An equivalent 1D nanochannel model to describe ion transport in multilayered graphene membranes” Progress in Natural Science: Materials International 28, 246 (2018) https://www.sciencedirect.com/science/article/pii/S1002007118301254
    • H. Zhang, J. Hou, Y. Hu, P. Wang, R. Ou, L. Jiang, J. Z. Liu, B. D. Freeman, A. J. Hill, H. Wang “Ultrafast selective transport of alkali metal ions in metal organic frameworks with subnanometer pores” Science Advances 4, eaaq0066 (2018). * Radio interview with 3AM Breakfast. https://advances.sciencemag.org/content/4/2/eaaq0066
    • Dupraz M, Sun Z, Brandl C, Van Swygenhoven H. Dislocation interactions at reduced strain rates in atomistic simulations of nanocrystalline Al. ACTA MATERIALIA. DOI: 10.1016/j.actamat.2017.10.043
    • Brandl C. Molecular Dynamics Simulations of Nanopolycrystals. Handbook of Mechanics of Materials. DOI: 10.1007/978-981-10-6855-3_12-1
  • 2017
    • L. Qiu, B. Huang, Z. He, Y. Wang, Z. Tian, J. Z. Liu, K. Wang, J. Song, T.R. Gengenbach, D. Li “Extremely low density and super-compressible graphene cellular materials” Advanced Materials 29, 1701553 (2017) https://onlinelibrary.wiley.com/doi/abs/10.1002/adma.201701553
    • N. Taherifar, B. Motevalli, B. Wu, W. Tang, and J. Z. Liu “A Density Functional Theory Computational Study of Adsorption of Di-Meta-Cyano Azobenzene Molecules on Si (111) Surfaces” Applied Surface Science 422, 557–565 (2017) https://www.sciencedirect.com/science/article/pii/S0169433217316173
    • P. Wang, M. Yan, J. Meng, G. Jiang, L. Qu, X. Pan, J. Z. Liu, L. Mai “Oxygen evolution reaction dynamics monitored by an individual nanosheet-based electronic circuit” Nature Communications 8, 645 (2017) https://www.nature.com/articles/s41467-017-00778-z
    • H. Qin, Y. Sun, J. Z. Liu, Y. Liu “Enhanced in-plane mechanical properties of nanoporous graphene-carbon nanotube network” Journal of Applied Physics 121, 215104 (2017) https://aip.scitation.org/doi/abs/10.1063/1.4984762?ai=1gvoi&mi=3ricys&af=R
    • X. Pan, M. Yan, P. Wang, F. Chen, L. He, G. Jiang, J. Wang, J. Z. Liu, X. Xu, X. Liao, J. Yang, L. Mai “Field-effect tuned adsorption-dynamics of VSe2 nanosheet for enhanced hydrogen evolution reaction” Nano Letters 17, 4109 (2017) https://pubs.acs.org/doi/10.1021/acs.nanolett.7b00855
    • B. Motevalli, N. Taherifar, H. Wang, and J. Z. Liu “Ab initio simulations to understand the leaf shape crystal morphology of ZIF-L with two-dimensional layered network” The Journal of Physical Chemistry C 121, 2221-2227 (2017) https://pubs.acs.org/doi/10.1021/acs.jpcc.6b10963
    • G. Li, J. Shang, Q. Gu, R. Awati, N. Jensen, A. Grant, X. Zhang, D. Sholl, J. Z. Liu, P. Webley, E. May “Temperature-Regulated Guest Admission and Release in Microporous Materials” Nature Communications 8, 15777 (2017) https://www.nature.com/articles/ncomms15777
    • Huasong Qin, Yu Sun, J. Z. Liu, Mengjie Li, and Yilun Liu “Negative Poisson's ratio in rippled graphene” Nanoscale 9, 4135 (2017) https://pubs.rsc.org/en/content/articlelanding/2017/nr/c6nr07911c#!divAbstract
    • Kovalenko O, Brandl C, Klinger L, Rabkin E. Self-Healing and Shape Memory Effects in Gold Microparticles through the Defects-Mediated Diffusion. ADVANCED SCIENCE. DOI: 10.1002/advs.201700159
    • Choi I-C, Brandl C, Schwaiger R. Thermally activated dislocation plasticity in body-centered cubic chromium studied by high-temperature nanoindentation. ACTA MATERIALIA DOI: 10.1016/j.actamat.2017.08.026