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Predictive dislocation mobility in high-entropy alloys without driven molecular dynamics: A quantum statistical approach

B. Gurrutxaga-Lerma and J. E. Arnold

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Phys. Rev. B 114, 034116 – Published 27 July, 2026

DOI: https://doi.org/10.1103/s8sb-6tdb

Abstract

We develop a quantum statistical theory of phonon-mediated dislocation drag in chemically disordered alloys. Starting from a configuration-dependent harmonic Hamiltonian with Kanzaki coupling, we integrate out the lattice exactly via a Keldysh influence functional and obtain, for each disordered realization, a causal retarded memory kernel for the collective glide coordinate. The drag coefficient required by continuum mobility laws is the zero-frequency limit of this kernel, rather than an empirical input, while the full kernel provides a principled non-Markovian mobility law. To make the theory tractable for large disordered supercells with ab initio methods and machine-learned interatomic potentials, we introduce a hybrid embedding scheme that retains the disorder-sensitive Kanzaki vertex in an inner atomistic region and couples it to an outer effective medium description for far-field phonon radiation. We prove that any procedure which homogenizes the lattice before evaluating the quadratic dissipation functional produces a strict lower bound on the disorder-averaged drag, missing a non-negative variance contribution that is discarded by construction. Calculations for bcc AlWMo+TiFe, and for face-centered cubic FeCoNi+CuCr systems show that this variance term is typically dominant: virtual crystal estimates underpredict drag by factors of 2 to 8 and suppress the screw versus edge hierarchy predicted by the full theory. The composition dependence is strongly nonmonotonic, demonstrating that chemical complexity alone is not a reliable proxy for drag and that extrapolations based on bulk elastic descriptors or Leibfried-type scaling can fail. Temperature dependence follows analytically from Bose reweighting of a single equilibrium spectral density, recovering the high-temperature linear regime with a slope set by an infrared-weighted spectral moment that remains sensitive to core-level chemistry. The resulting Stieltjes pole parameters provide a complete, passive, non-Markovian mobility input for mesoscale dislocation dynamics in concentrated alloys, with explicit configurational uncertainty quantification and without driven molecular dynamics, thereby providing a complete representation of dislocation mobility in disordered alloys without the need for costly molecular dynamics simulations.

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References (137)

  1. B. Cantor, I. T. H. Chang, P. Knight, and A. J. B. Vincent, Microstructural development in equiatomic multicomponent alloys, Mater. Sci. Eng. A 375-377, 213 (2004).
  2. J.-W. Yeh, S.-K. Chen, S.-J. Lin, J.-Y. Gan, T.-S. Chin, T.-T. Shun, C.-H. Tsau, and S.-Y. Chang, Nanostructured high-entropy alloys with multiple principal elements: Novel alloy design concepts and outcomes, Adv. Eng. Mater. 6, 299 (2004).
  3. E. P. George, D. Raabe, and R. O. Ritchie, High-entropy alloys, Nat. Rev. Mater. 4, 515 (2019).
  4. D. B. Miracle and O. N. Senkov, A critical review of high entropy alloys and related concepts, Acta Mater. 122, 448 (2017).
  5. O. N. Senkov, G. B. Wilks, J. M. Scott, and D. B. Miracle, Mechanical properties of Nb25Mo25ta25w25 and v20nb20mo20ta20w20 refractory high entropy alloys, Intermetallics 19, 698 (2011).
  6. K.-Y. Wang, Z.-J. Cheng, Z.-L. Ning, H.-P. Yu, P. Ramasamy, J. Eckert, J.-F. Sun, A. H. W. Ngan, and Y.-J. Huang, Unraveling the cryogenic formability in high entropy alloy sheets under complex stress conditions, Rare Met. 44, 1332 (2025).
  7. S. Wang, M. Wu, D. Shu, G. Zhu, D. Wang, and B. Sun, Mechanical instability and tensile properties of TiZrHfNbTa high entropy alloy at cryogenic temperatures, Acta Mater. 201, 517 (2020).
  8. J. P. Hirth and J. Lothe, Theory of Dislocations, 2nd ed. (John Wiley & Sons, New York, 1982).
  9. A. P. Sutton, Physics of Elasticity and Crystal Defects (Oxford University Press, Oxford, UK, 2024), Vol. 6.
  10. V. Vitek and V. Paidar, Non-planar dislocation cores: A ubiquitous phenomenon affecting mechanical properties of crystalline materials, in Dislocations in Solids (Elsevier, London, UK, 2008), Vol. 14, pp. 439–514.
  11. W. P. Mason, Phonon viscosity and its effect on acoustic wave attenuation and dislocation motion, J. Acoust. Soc. Am. 32, 458 (1960).
  12. V. I. Alshits, Phononnyj veter i tormozhenije dislokatzij, Fiz. Tvier. Tiela 11, 2405 (1969).
  13. V. I. Alshits, The phonon-dislocation interaction and its Role in Dislocation Dragging and Thermal Resistivity (Elsevier, London, UK, 1992), Vol. 31, pp. 625–697.
  14. J. D. Eshelby, Uniformly moving dislocations, Proc. Phys. Soc. London, Sect. A 62, 307 (1949).
  15. D. N. Blaschke, Properties of dislocation drag from phonon wind at ambient conditions, Materials 12, 948 (2019).
  16. P. Gumbsch and H. Gao, Dislocations faster than the speed of sound, Science 283, 965 (1999).
  17. D. L. Olmsted, L. G. Hector Jr, W. A. Curtin, and R. J. Clifton, Atomistic simulations of dislocation mobility in Al, Ni and Al/Mg alloys, Modell. Simul. Mater. Sci. Eng. 13, 371 (2005).
  18. M. R. Gilbert, S. Queyreau, and J. Marian, Stress and temperature dependence of screw dislocation mobility in α−Fe by molecular dynamics, Phys. Rev. B 84, 174103 (2011).
  19. W. G. Johnston and J. J. Gilman, Dislocation velocities, dislocation densities, and plastic flow in lithium fluoride crystals, J. Appl. Phys. 30, 129 (1959).
  20. T. Vreeland Jr. and K. M. Jassby, Dislocation-phonon interactions and dynamic behaviour of individual dislocations as observed by stress pulse method, Cryst. Lattice Defects 4, 1 (1973).
  21. L. R. Owen, N. G. Jones, Lattice distortions in high-entropy alloys, J. Mater. Res. 33, 2954 (2018).
  22. W. Li, S. Lyu, Y. Chen, and A. H. W. Ngan, Fluctuations in local shear-fault energy produce unique and dominating strengthening in metastable complex concentrated alloys, Proc. Natl. Acad. Sci. USA 120, e2209188120 (2023).
  23. Y. Hu, L. R. Owen, H. Y. Playford, A. Edgren, S. Guo, and M. H. Colliander, Quantifying local lattice distortions in refractory high-entropy alloys, Phys. Rev. Mater. 8, 083602 (2024).
  24. F. Körmann, Y. Ikeda, B. Grabowski, and M. H. F. Sluiter, Phonon broadening in high entropy alloys, npj Comput. Mater. 3, 36 (2017).
  25. G. Ek, Ø. S. Fjellvåg, P. Vajeeston, J. Armstrong, M. Sahlberg, and U. Häussermann, Vibrational properties of high entropy alloy based metal hydrides probed by inelastic neutron scattering, J. Alloys Compd. 877, 160320 (2021).
  26. A. Haglund, M. Koehler, D. Catoor, E. P. George, and V. Keppens, Polycrystalline elastic moduli of a high-entropy alloy at cryogenic temperatures, Intermetallics 58, 62 (2015).
  27. L. R. Owen, E. J. Pickering, H. Y. Playford, H. J. Stone, M. G. Tucker, and N. G. Jones, An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy, Acta Mater. 122, 11 (2017).
  28. Y. Cao, K. Sheriff, and R. Freitas, Capturing short-range order in high-entropy alloys with machine learning potentials, npj Comput. Mater. 11, 268 (2025).
  29. A. V. Shapeev, Moment tensor potentials: A class of systematically improvable interatomic potentials, Multisc. Model. Simul. 14, 1153 (2016).
  30. S. Yin, Y. Zuo, A. Abu-Odeh, H. Zheng, X.-G. Li, J. Ding, S. P. Ong, M. Asta, and R. O. Ritchie, Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order, Nat. Commun. 12, 4873 (2021).
  31. D. Utt, S. Lee, Y. Xing, H. Jeong, A. Stukowski, S. H. Oh, G. Dehm, and K. Albe, The origin of jerky dislocation motion in high-entropy alloys, Nat. Commun. 13, 4777 (2022).
  32. M. R. Jones, P. Garg, and I. J. Beyerlein, Transitions in thermally activated glide mechanisms in the MoNbTaVW refractory multiprincipal element alloy up to 0.3 tm, Phys. Rev. Mater. 8, 103603 (2024).
  33. R. Pasianot and D. Farkas, Atomistic modeling of dislocations in a random quinary high-entropy alloy, Comput. Mater. Sci. 173, 109366 (2020).
  34. S. Lyu, Y. Xia, W. Li, T. Zhu, Y. Chen, and A. H. W. Ngan, Statistical mechanics, entropy and temperature analog of dislocations moving on fluctuating resistance landscapes, Acta Mater. 291, 121002 (2025).
  35. R. B. Sills, M. E. Foster, and X. W. Zhou, Line-length-dependent dislocation mobilities in an fcc stainless steel alloy, Int. J. Plast. 135, 102791 (2020).
  36. K. Chu, M. E. Foster, R. B. Sills, X. Zhou, T. Zhu, and D. L. McDowell, Temperature and composition dependent screw dislocation mobility in austenitic stainless steels from large-scale molecular dynamics, npj Comput. Mater. 6, 179 (2020).
  37. X. Zhou, S. He, and J. Marian, Cross-kinks control screw dislocation strength in equiatomic bcc refractory alloys, Acta Mater. 211, 116875 (2021).
  38. L. Romaner, C. Ambrosch-Draxl, and R. Pippan, Effect of rhenium on the dislocation core structure in tungsten, Phys. Rev. Lett. 104, 195503 (2010).
  39. F. Maresca and W. A. Curtin, Mechanistic origin of high strength in refractory bcc high entropy alloys up to 1900k, Acta Mater. 182, 235 (2020).
  40. S. I. Rao, C. Varvenne, C. Woodward, T. A. Parthasarathy, D. Miracle, O. N. Senkov, and W. A. Curtin, Atomistic simulations of dislocations in a model bcc multicomponent concentrated solid solution alloy, Acta Mater. 125, 311 (2017).
  41. F. Körmann, A. V. Ruban, and M. H. F. Sluiter, Long-ranged interactions in bcc NbMoTaW high-entropy alloys, Mater. Res. Lett. 5, 35 (2017).
  42. S. I. Rao, B. Akdim, E. Antillon, C. Woodward, T. A. Parthasarathy, and O. N. Senkov, Modeling solution hardening in bcc refractory complex concentrated alloys: NbTiZr, Nb1.5TiZr0.5 and Nb0.5TiZr15, Acta Mater. 168, 222 (2019).
  43. X. Liu, T. P. Moran, B. F. G. Aymon, and W. A. Curtin, Peierls-Nabarro modeling of dislocations in high-entropy alloys, J. Mech. Phys. Solids 208, 106457 (2025).
  44. F. Tian, A review of solid-solution models of high-entropy alloys based on ab initio calculations, Front. Mater. 4, 36 (2017).
  45. P. Soven, Coherent-potential model of substitutional disordered alloys, Phys. Rev. 156, 809 (1967).
  46. J. Korringa, On the calculation of the energy of a Bloch wave in a metal, Physica 13, 392 (1947).
  47. W. Kohn and N. Rostoker, Solution of the Schrödinger equation in periodic lattices with an application to metallic lithium, Phys. Rev. 94, 1111 (1954).
  48. B. L. Gyorffy, Coherent-potential approximation for a nonoverlapping-muffin-tin-potential model of random substitutional alloys, Phys. Rev. B 5, 2382 (1972).
  49. L. Vitos, Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications (Springer, New York, 2007).
  50. H. Ebert, D. Koedderitzsch, and J. Minar, Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications, Rep. Prog. Phys. 74, 096501 (2011).
  51. F. Tian, L. K. Varga, J. Shen, and L. Vitos, Calculating elastic constants in high-entropy alloys using the coherent potential approximation: Current issues and errors, Comput. Mater. Sci. 111, 350 (2016).
  52. S. Huang, W. Li, S. Lu, F. Tian, J. Shen, E. Holmström, and L. Vitos, Temperature dependent stacking fault energy of FeCrCoNiMn high entropy alloy, Scr. Mater. 108, 44 (2015).
  53. S. Ghosh, P. L. Leath, and M. H. Cohen, Phonons in random alloys: The itinerant coherent-potential approximation, Phys. Rev. B 66, 214206 (2002).
  54. Y. Ikeda, F. Körmann, B. Dutta, A. Carreras, A. Seko, J. Neugebauer, and I. Tanaka, Temperature-dependent phonon spectra of magnetic random solid solutions, npj Comput. Mater. 4, 7 (2018).
  55. W. R. Mondal, N. S. Vidhyadhiraja, T. Berlijn, J. Moreno, and M. Jarrell, Localization of phonons in mass-disordered alloys: A typical medium dynamical cluster approach, Phys. Rev. B 96, 014203 (2017).
  56. W. R. Mondal, T. Berlijn, M. Jarrell, and N. S. Vidhyadhiraja, Phonon localization in binary alloys with diagonal and off-diagonal disorder: A cluster Green's function approach, Phys. Rev. B 99, 134203 (2019).
  57. W. R. Mondal and N. S. Vidhyadhiraja, Effect of short-ranged spatial correlations on the Anderson localization of phonons in mass-disordered systems, Bull. Mater. Sci. 43, 314 (2020).
  58. W. R. Mondal, T. Berlijn, N. S. Vidhyadhiraja, and H. Terletska, Typical medium cluster approach for multibranch phonon localization, Phys. Rev. B 113, 064203 (2026).
  59. A. Zunger, S.-H. Wei, L. G. Ferreira, and J. E. Bernard, Special quasirandom structures, Phys. Rev. Lett. 65, 353 (1990).
  60. L.-Y. Tian, Q.-M. Hu, R. Yang, J. Zhao, B. Johansson, and L. Vitos, Elastic constants of random solid solutions by SQS and CPA approaches: The case of fcc Ti-Al, J. Phys.: Condens. Matter 27, 315702 (2015).
  61. L.-Y. Tian, L.-H. Ye, Q.-M. Hu, S. Lu, J. Zhao, and L. Vitos, CPA descriptions of random Cu-Au alloys in comparison with SQS approach, Comput. Mater. Sci. 128, 302 (2017).
  62. M. Karabin, W. R. Mondal, A. Östlin, W.-G. D. Ho, V. Dobrosavljevic, K.-M. Tam, H. Terletska, L. Chioncel, Y. Wang, and M. Eisenbach, Ab initio approaches to high-entropy alloys: A comparison of CPA, SQS, and supercell methods, J. Mater. Sci. 57, 10677 (2022).
  63. C. Varvenne, G. P. M. Leyson, M. Ghazisaeidi, and W. A. Curtin, Solute strengthening in random alloys, Acta Mater. 124, 660 (2017).
  64. C. Varvenne, A. Luque, and W. A. Curtin, Theory of strengthening in fcc high entropy alloys, Acta Mater. 118, 164 (2016).
  65. F. Maresca and W. A. Curtin, Theory of screw dislocation strengthening in random bcc alloys from dilute to “high-entropy” alloys, Acta Mater. 182, 144 (2020).
  66. R. Labusch, A statistical theory of solid solution hardening, Phys. Status Solidi B 41, 659 (1970).
  67. G. Laplanche, A. Kostka, C. Reinhart, J. Hunfeld, G. Eggeler, and E. P. George, Reasons for the superior mechanical properties of medium-entropy CrCoNi compared to high-entropy CrMnFeCoNi, Acta Mater. 128, 292 (2017).
  68. G. Bracq, M. Laurent-Brocq, C. Varvenne, L. Perrière, W. A. Curtin, J.-M. Joubert, and I. Guillot, Combining experiments and modeling to explore the solid solution strengthening of high and medium entropy alloys, Acta Mater. 177, 266 (2019).
  69. C. Lee, F. Maresca, R. Feng, Y. Chou, T. Ungar, M. Widom, K. An, J. D. Poplawsky, Y.-C. Chou, P. K. Liaw, et al., Strength can be controlled by edge dislocations in refractory high-entropy alloys, Nat. Commun. 12, 5474 (2021).
  70. R. E. Kubilay, A. Ghafarollahi, F. Maresca, and W. A. Curtin, High energy barriers for edge dislocation motion in body-centered cubic high entropy alloys, npj Comput. Mater. 7, 112 (2021).
  71. B. Gurrutxaga-Lerma, Quantum statistical theory of dislocation mobility in discrete lattices, Phys. Rev. Mater. 9, 123605 (2025).
  72. I. Batatia, D. P. Kovacs, G. Simm, C. Ortner, and G. Csányi, MACE: Higher order equivariant message passing neural networks for fast and accurate force fields, in Advances in Neural Information Processing Systems, edited by S. Koyejo, S. Mohamed, A. Agarwal, D. Belgrave, K. Cho, and A. Oh (Curran Associates, 2022), Vol. 35, pp. 11423–11436.
  73. H. Kanzaki, Point defects in face-centred cubic lattice–I distortion around defects, J. Phys. Chem. Solids 2, 24 (1957).
  74. H. Kanzaki, Point defects in face-centred cubic lattice-II X-ray scattering effects, J. Phys. Chem. Solids 2, 107 (1957).
  75. B. Gurrutxaga-Lerma and J. Verschueren, Elastic models of dislocations based on atomistic Kanzaki forces, Phys. Rev. B 98, 134104 (2018).
  76. B. Gurrutxaga-Lerma and J. Verschueren, Generalized Kanzaki force field of extended defects in crystals with applications to the modeling of edge dislocations, Phys. Rev. Mater. 3, 113801 (2019).
  77. R. P. Feynman and F. L. Vernon Jr., The theory of a general quantum system interacting with a linear dissipative system, Ann. Phys. (NY) 281, 547 (2000).
  78. L. V. Keldysh, Diagram technique for nonequilibrium processes, in Selected Papers of Leonid V. Keldysh (World Scientific, Singapore, 2024), pp. 47–55.
  79. A. Kamenev, Field Theory of Non-Equilibrium Systems (Cambridge University Press, Cambridge, 2023).
  80. U. Weiss, Quantum Dissipative Systems, 4th ed. (World Scientific, Singapore, 2012).
  81. G. Leibfried, Über den Einflußthermisch angeregter Schallwellen auf die plastische Deformation, Eur. Phys. J. A 127, 344 (1950).
  82. B. Gurrutxaga-Lerma, Ab initio theory of electron drag and wind forces on dislocations: Bridging quantum transport and electroplasticity, Phys. Rev. Mater. 10, 033803 (2026).
  83. R. L. Schilling, R. Song, and Z. Vondracek, Bernstein Functions: Theory and Applications (Walter de Gruyter, 2012), Vol. 37.
  84. M. Mézard, G. Parisi, and M. A. Virasoro, Spin glass theory and beyond, World Scientific Lecture Notes in Physics, Vol. 9 (World Scientific, New York, 1986).
  85. M. Kardar, Statistical Physics of Fields (Cambridge University Press, Cambridge, 2007).
  86. F. Yonezawa and K. Morigaki, Coherent potential approximation. Basic concepts and applications, Prog. Theor. Phys. Suppl. 53, 1 (1973).
  87. H. Nishimori, Statistical Physics of Spin Glasses and Information Processing: An Introduction, Number 111 (Clarendon Press, 2001).
  88. A. Alam, R. K. Chouhan, and A. Mookerjee, Phonon modes and vibrational entropy of disordered alloys with short-range order: A first-principles calculation, Phys. Rev. B 83, 054201 (2011).
  89. D. R. Trinkle, Lattice Green function for extended defect calculations: Computation and error estimation with long-range forces, Phys. Rev. B 78, 014110 (2008).
  90. J. E. Sinclair, P. C. Gehlen, R. G. Hoagland, and J. P. Hirth, Flexible boundary conditions and nonlinear geometric effects in atomic dislocation modeling, J. Appl. Phys. 49, 3890 (1978).
  91. G. H Golub and C. F. Van Loan, Matrix Computations (John Hopkins University Press, 2013).
  92. Z. Huang, E. Gull, and L. Lin, Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation, Phys. Rev. B 107, 075151 (2023).
  93. A. Luger and M.-J. Yvonne Ou, On applications of Herglotz-Nevanlinna functions in material sciences, I: Classical theory and applications of sum rules, in Research in Mathematics of Materials Science (Springer, Berlin, 2022), pp. 433–459.
  94. S. R. Turner, S. Pailhès, F. Bourdarot, J. Ollivier, Y. Sidis, J.-P. Castellan, J.-M. Zanotti, Q. Berrod, F. Porcher, A. Bosak, et al., Phonon behavior in a random solid solution: A lattice dynamics study on the high-entropy alloy FeCoCrMnNi, Nat. Commun. 13, 7509 (2022).
  95. M. Born and K. Huang, Dynamical Theory of Cristal Lattices (Oxford University Press, New York, 1998).
  96. A. Togo and I. Tanaka, First principles phonon calculations in materials science, Scr. Mater. 108, 1 (2015).
  97. S.-H. Wei and A. Zunger, Disorder effects on the density of states of the II-VI semiconductor alloys Hg0.5Cd0.5Te,Cd0.5Zn0.5Te, and Hg0.5Zn0.5Te, Phys. Rev. B 43, 1662 (1991).
  98. C. Lin, S. Poncé, and N. Marzari, General invariance and equilibrium conditions for lattice dynamics in 1d, 2d, and 3d materials, npj Comput. Mater. 8, 236 (2022).
  99. G. J. Ackland, M. C. Warren, and S. J. Clark, Practical methods in ab initio lattice dynamics, J. Phys.: Condens. Matter 9, 7861 (1997).
  100. X. Li, Efficient boundary conditions for molecular statics models of solids, Phys. Rev. B 80, 104112 (2009).
  101. A. M. Z Tan, and D. R. Trinkle, Computation of the lattice Green function for a dislocation, Phys. Rev. E 94, 023308 (2016).
  102. E. N. Economou, Green's Functions in Quantum Physics (Springer, Berlin, 2006).
  103. M. P. LopezSancho, J. M. Lopez Sancho, and J. Rubio, Highly convergent schemes for the calculation of bulk and surface Green functions, J. Phys. F: Met. Phys. 15, 851 (1985).
  104. B. Gustavsen and A. Semlyen, Rational approximation of frequency domain responses by vector fitting, IEEE Trans. Power Delivery 14, 1052 (2002).
  105. K. Schmüdgen et al., The Moment Problem (Springer, 2017), Vol. 9.
  106. A. C. Antoulas, Approximation of Large-Scale Dynamical System (SIAM, New York, 2005).
  107. I. P. Cornfeld, S. V. Fomin, and Y. G. Sinai, Ergodic Theory (Springer Science & Business Media, 2012).
  108. X. W. Zhou, R. A. Johnson, and H. N. G. Wadley, Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers, Phys. Rev. B 69, 144113 (2004).
  109. D. Farkas and A. Caro, Model interatomic potentials and lattice strain in a high-entropy alloy, J. Mater. Res. 33, 3218 (2018).
  110. J. E. Arnold, C. D. Woodgate, R. Hafizi, M. J. Harris, A. Mottura, G. F. García, and B. Gurrutxaga-Lerma, Thermodynamics and phase stability of the AlTiCrMoW high-entropy alloy simulated using machine-learned interatomic potentials, Phys. Rev. Mater. 10, 073605 (2026).
  111. S. Queyreau, J. Marian, M. R. Gilbert, and B. D. Wirth, Edge dislocation mobilities in bcc Fe obtained by molecular dynamics, Phys. Rev. B 84, 064106 (2011).
  112. G. Po, Y. Cui, D. Rivera, D. Cereceda, T. D. Swinburne, J. Marian, and N. Ghoniem, A phenomenological dislocation mobility law for bcc metals, Acta Mater. 119, 123 (2016).
  113. H. Tsuzuki, P. S. Branicio, and J. P. Rino, Accelerating dislocations to transonic and supersonic speeds in anisotropic metals, Appl. Phys. Lett. 92, 191909 (2008).
  114. J. Marian and A. Caro, Moving dislocations in disordered alloys: Connecting continuum and discrete models with atomistic simulations, Phys. Rev. B 74, 024113 (2006).
  115. E. V. der Giessen and A. Needleman, Discrete dislocation plasticity: A simple planar model, Modell. Simul. Mater. Sci. Eng. 3, 689 (1995).
  116. V. V. Bulatov and W. Cai, Computer Simulations of Dislocation (Oxford University Press, Oxford, 2006).
  117. T. Duong and M. J. Demkowicz, Resonance with surface waves induces forbidden velocity bands in dislocation glide, J. Mech. Phys. Solids 180, 105422 (2023).
  118. M. H Müser, S. V. Sukhomlinov, and L. Pastewka, Interatomic potentials: Achievements and challenges, Adv. Phys.: X 8, 2093129 (2023).
  119. A. Rohskopf, H. R. Seyf, K. Gordiz, T. Tadano, and A. Henry, Empirical interatomic potentials optimized for phonon properties, npj Comput. Mater. 3, 27 (2017).
  120. R. W. Armstrong, W. Arnold, and F. J. Zerilli, Dislocation mechanics of shock-induced plasticity, Metall. Mater. Trans. A 38, 2605 (2007).
  121. G. I. Kanel, S. V. Razorenov, E. B. Zaretsky, B. Herrman, and L. Meyer, Thermal “softening” and “hardening” of titanium and its alloy at high strain rates of shock-wave deforming, Phys. Solid State 45, 656 (2003).
  122. E. B. Zaretsky, Shock response of iron between 143 and 1275 K, J. Appl. Phys. 106, 023510 (2009).
  123. E. B. Zaretsky and G. I. Kanel, Tantalum and vanadium response to shock-wave loading at normal and elevated temperatures. Non-monotonous decay of the elastic wave in vanadium, J. Appl. Phys. 115, 243502 (2014).
  124. E. B. Zaretsky, Impact response of cobalt over the 300–1400 K temperature range, J. Appl. Phys. 108, 083525 (2010).
  125. E. B. Zaretsky and G. I. Kanel, Response of copper to shock-wave loading at temperatures up to the melting point, J. Appl. Phys. 114, 083511 (2013).
  126. Y. Tang, and D. Y. Li, Dynamic response of high-entropy alloys to ballistic impact, Sci. Adv. 8, eabp9096 (2022).
  127. G. Laplanche, A. Kostka, O. M. Horst, G. Eggeler, and E. P. George, Microstructure evolution and critical stress for twinning in the CrMnFeCoNi high-entropy alloy, Acta Mater. 118, 152 (2016).
  128. M. Komarasamy, K. Alagarsamy, and R. S. Mishra, Serration behavior and negative strain rate sensitivity of Al0.1CoCrFeNi high entropy alloy, Intermetallics 84, 20 (2017).
  129. R. Sonkusare, R. Jain, K. Biswas, V. Parameswaran, and N. P. Gurao, High strain rate compression behaviour of single phase CoCuFeMnNi high entropy alloy, J. Alloys Compd. 823, 153763 (2020).
  130. Z. Li, S. Zhao, H. Diao, P. K. Liaw, and M. A. Meyers, High-velocity deformation of Al0.3CoCrFeNi high-entropy alloy: Remarkable resistance to shear failure, Sci. Rep. 7, 42742 (2017).
  131. K. Ren, H. Liu, R. Ma, S. Chen, S. Zhang, R. Wang, R. Chen, Y. Tang, S. Li, and F. Lu, Dynamic compression behavior of TiZrNbV refractory high-entropy alloys upon ultrahigh strain rate loading, J. Mater. Sci. Technol. 161, 201 (2023).
  132. Y. Xiao, Q. Zeng, K. Xun, J. Ding, L. Wang, L. Wang, Y. Liang, K. Jin, S. Zhu, Y. Ren, et al., Novel mechanism of ultra-high adiabatic shear susceptibility in fcc-based high-entropy alloys via high-content nanoprecipitate dissolution, Acta Mater. 296, 121280 (2025).
  133. Z. Li, S. Zhao, S. M. Alotaibi, Y. Liu, B. Wang, and M. A. Meyers, Adiabatic shear localization in the CrMnFeCoNi high-entropy alloy, Acta Mater. 151, 424 (2018).
  134. https://www.baskerville.ac.uk/.
  135. A. A. Maradudin, E. W. Montroll, and G. H. Weiss, Theory of lattice dynamics in the harmonic approximation, in Solid State Physics (Academic Press, New York, 1963), Vol. 3.
  136. G. Leibfried and N. Breuer, Point defects in metals I–Introduction to the theory, in Springer Tracts in Modern Physics (Springer-Verlag, Berlin, 1978), Vol. 81.
  137. V. A. Alshits and V. L. Indenbom, Dynamic dragging of dislocations, Sov. Phys. Usp. 18, 1 (1975).

Outline

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Phys. Rev. B 114, 034116– Published 27 July, 2026
  • Received 23 February 2026
  • Revised 26 June 2026
  • Accepted 13 July 2026
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