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  • Letter
  • Open Access

Diffusion-facilitated transport of self-driven particles in polycrystalline structures

Takahiro Ezaki1,*, Katsuhiro Nishinari1,2, and Yasunobu Ando3

  • 1Research Center for Advanced Science and Technology, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8904, Japan
  • 2Department of Aeronautics and Astronautics, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
  • 3Laboratory for Chemistry and Life Science, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8503, Japan

  • *Contact author: tkezaki@ecc.g.u-tokyo.ac.jp
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Phys. Rev. Research 6, L032032 – Published 8 August, 2024

DOI: https://doi.org/10.1103/PhysRevResearch.6.L032032

Abstract

We study particle transport in a polycrystalline system with mesoscale regular structures, which was inspired by ionic transport in solids. We found a novel type of congestion dynamics in which the density of particles spontaneously became strongly inhomogeneous with increasing driving force field and inverse temperature, leaving strongly localized pathways that allowed for substantial particle current. Consequently, particle current was maximized at a certain driving force strength and inverse temperature, which effectively avoided overcrowding of particles via a moderate level of diffusion. Our findings not only extend the theory of collective transport of self-propelled particles but also provide a baseline for understanding the transport properties of real polycrystalline systems, including superionic materials.

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References (38)

  1. D. Helbing, Traffic and related self-driven many-particle systems, Rev. Mod. Phys. 73, 1067 (2001).
  2. A. Schadschneider, D. Chowdhury, and K. Nishinari, Stochastic Transport in Complex Systems: From Molecules to Vehicles (Elsevier, Amsterdam, 2010).
  3. T. Ezaki, K. Nishinari, M. Samejima, and K. Igarashi, Bridging the micro-macro gap between single-molecular behavior and bulk hydrolysis properties of cellulase, Phys. Rev. Lett. 122, 098102 (2019).
  4. G. Schütz and E. Domany, Phase transitions in an exactly soluble one-dimensional exclusion process, J. Stat. Phys. 72, 277 (1993).
  5. B. Derrida, An exactly soluble non-equilibrium system: The asymmetric simple exclusion process, Phys. Rep. 301, 65 (1998).
  6. A. Parmeggiani, T. Franosch, and E. Frey, Phase coexistence in driven one-dimensional transport, Phys. Rev. Lett. 90, 086601 (2003).
  7. A. Parmeggiani, T. Franosch, and E. Frey, Totally asymmetric simple exclusion process with Langmuir kinetics, Phys. Rev. E 70, 046101 (2004).
  8. T. Ezaki and K. Nishinari, Exact stationary distribution of an asymmetric simple exclusion process with langmuir kinetics and memory reservoirs, J. Phys. A 45, 185002 (2012).
  9. I. Neri, N. Kern, and A. Parmeggiani, Modeling cytoskeletal traffic: An interplay between passive diffusion and active transport, Phys. Rev. Lett. 110, 098102 (2013).
  10. S. A. Janowsky and J. L. Lebowitz, Exact results for the asymmetric simple exclusion process with a blockage, J. Stat. Phys. 77, 35 (1994).
  11. L. B. Shaw, A. B. Kolomeisky, and K. H. Lee, Local inhomogeneity in asymmetric simple exclusion processes with extended objects, J. Phys. A 37, 2105 (2004).
  12. F. Turci, A. Parmeggiani, E. Pitard, M. C. Romano, and L. Ciandrini, Transport on a lattice with dynamical defects, Phys. Rev. E 87, 012705 (2013).
  13. V. Popkov and I. Peschel, Symmetry breaking and phase coexistence in a driven diffusive two-channel system, Phys. Rev. E 64, 026126 (2001).
  14. T. Ezaki and K. Nishinari, Exact solution of a heterogeneous multilane asymmetric simple exclusion process, Phys. Rev. E 84, 061141 (2011).
  15. I. Neri, N. Kern, and A. Parmeggiani, Totally asymmetric simple exclusion process on networks, Phys. Rev. Lett. 107, 068702 (2011).
  16. T. Ezaki and K. Nishinari, A balance network for the asymmetric simple exclusion process, J. Stat. Mech. (2012) P11002.
  17. E. Pronina and A. B. Kolomeisky, Theoretical investigation of totally asymmetric exclusion processes on lattices with junctions, J. Stat. Mech. (2005) P07010.
  18. B. Embley, A. Parmeggiani, and N. Kern, Understanding totally asymmetric simple-exclusion-process transport on networks: Generic analysis via effective rates and explicit vertices, Phys. Rev. E 80, 041128 (2009).
  19. A. Raguin, A. Parmeggiani, and N. Kern, Role of network junctions for the totally asymmetric simple exclusion process, Phys. Rev. E 88, 042104 (2013).
  20. Y. Baek, M. Ha, and H. Jeong, Effects of junctional correlations in the totally asymmetric simple exclusion process on random regular networks, Phys. Rev. E 90, 062111 (2014).
  21. J. B. Boyce and B. A. Huberman, Superionic conductors: Transitions, structures, dynamics, Phys. Rep. 51, 189 (1979).
  22. M. B. Salamon, Physics of Superionic Conductors (Springer Science & Business Media, New York, 2013).
  23. Y. Gao, A. M. Nolan, P. Du, Y. Wu, C. Yang, Q. Chen, Y. Mo, and S.-H. Bo, Classical and emerging characterization techniques for investigation of ion transport mechanisms in crystalline fast ionic conductors, Chem. Rev. 120, 5954 (2020).
  24. J. C. Bachman, S. Muy, A. Grimaud, H.-H. Chang, N. Pour, S. F. Lux, O. Paschos, F. Maglia, S. Lupart, P. Lamp, L. Giordano, and Y. Shao-Horn, Inorganic Solid-State electrolytes for lithium batteries: Mechanisms and properties governing ion conduction, Chem. Rev. 116, 140 (2016).
  25. Y. Wang, W. D. Richards, S. P. Ong, L. J. Miara, J. C. Kim, Y. Mo, and G. Ceder, Design principles for solid-state lithium superionic conductors, Nat. Mater. 14, 1026 (2015).
  26. J. Wang, T. He, X. Yang, Z. Cai, Y. Wang, V. Lacivita, H. Kim, B. Ouyang, and G. Ceder, Design principles for NASICON super-ionic conductors, Nat. Commun. 14, 5210 (2023).
  27. Y. Mo, S. P. Ong, and G. Ceder, First principles study of the Li10GeP2S12 lithium super ionic conductor material, Chem. Mater. 24, 15 (2012).
  28. W. D. Richards, T. Tsujimura, L. J. Miara, Y. Wang, J. C. Kim, S. P. Ong, I. Uechi, N. Suzuki, and G. Ceder, Design and synthesis of the superionic conductor Na10SnP2S12, Nat. Commun. 7, 11009 (2016).
  29. J. Maier, On the conductivity of polycrystalline materials, Berichte der Bunsengesellschaft für physikalische (1986).
  30. T. Ida and K. Kimura, Ionic conductivity of small-grain polycrystals of silver iodide, Solid State Ion. 107, 313 (1998).
  31. H. L. Tuller, Ionic conduction in nanocrystalline materials, Solid State Ion. 131, 143 (2000).
  32. H. X. Zhu, S. M. Thorpe, and A. H. Windle, The geometrical properties of irregular two-dimensional Voronoi tessellations, Philos. Mag. A 81, 2765 (2001).
  33. See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevResearch.6.L032032 for simulation results using other parameter values.
  34. C. R. A. Catlow, Static lattice simulation of structure and transport in superionic conductors, Solid State Ion. 8, 89 (1983).
  35. A. Chatterjee and D. G. Vlachos, An overview of spatial microscopic and accelerated kinetic Monte Carlo methods, J. Comput.-Aided Mater. Des. 14, 253 (2007).
  36. W. Li, Y. Ando, and S. Watanabe, Cu diffusion in amorphous Ta2O5 studied with a simplified neural network potential, J. Phys. Soc. Jpn. 86, 104004 (2017).
  37. W. Li and Y. Ando, Effect of local structural disorder on lithium diffusion behavior in amorphous silicon, Phys. Rev. Mater. 4, 045602 (2020).
  38. H. Nakata, M. Araidai, S. Bai, H. Hirano, and T. Tada, Accurate meso-scale dynamics by kinetic Monte Carlo simulation via free energy multicanonical sampling: Oxygen vacancy diffusion in BaTiO3, Sci. Tech. Adv. Mater.: Methods 1, 109 (2021).

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Phys. Rev. Research 6, L032032– Published 8 August, 2024
  • Received 28 May 2024
  • Accepted 17 July 2024
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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