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Three-particle correlations in liquid and amorphous aluminium

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  • Galimzyanov, Bulat N.
  • Mokshin, Anatolii V.

Abstract

Analysis of three-particle correlations is performed on the basis of simulation data of atomic dynamics in liquid and amorphous aluminium. A three-particle correlation function is introduced to characterize the relative positions of various three particles—the so-called triplets. Various configurations of triplets are found by calculation of pair and three-particle correlation functions. It was found that in the case of liquid aluminium with temperatures 1000 K, 1500 K, and 2000 K the three-particle correlations are more pronounced within the spatial scales, comparable with a size of the second coordination sphere. In the case of amorphous aluminium with temperatures 50 K, 100 K, and 150 K these correlations in the mutual arrangement of three particles are manifested up to spatial scales, which are comparable with a size of the third coordination sphere. Temporal evolution of three-particle correlations is analyzed by using a time-dependent three-particle correlation function, for which an integro-differential equation of type of the generalized Langevin equation is output with help of projection operators technique. A solution of this equation by means of mode-coupling theory is compared with our simulation results. It was found that this solution correctly reproduces the behavior of the time-dependent three-particle correlation functions for liquid and amorphous aluminium.

Suggested Citation

  • Galimzyanov, Bulat N. & Mokshin, Anatolii V., 2017. "Three-particle correlations in liquid and amorphous aluminium," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 478(C), pages 103-112.
    • Handle: RePEc:eee:phsmap:v:478:y:2017:i:c:p:103-112
    DOI: 10.1016/j.physa.2017.02.077
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    References listed on IDEAS

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    1. Yulmetyev, Renat M. & Mokshin, Anatolii V. & Hänggi, Peter, 2005. "Universal approach to overcoming nonstationarity, unsteadiness and non-Markovity of stochastic processes in complex systems," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 345(1), pages 303-325.
    2. Poole, Peter H. & Donati, Claudio & Glotzer, Sharon C., 1998. "Spatial correlations of particle displacements in a glass-forming liquid," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 261(1), pages 51-59.
    3. Tokuyama, Michio, 2007. "Similarities in diversely different glass-forming systems," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 378(2), pages 157-166.
    4. Yulmetyev, Renat & Khusnutdinoff, Ramil & Tezel, Timur & Iravul, Yildiz & Tuzel, Bekir & Hänggi, Peter, 2009. "The study of dynamic singularities of seismic signals by the generalized Langevin equation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 388(17), pages 3629-3635.
    5. Khusnutdinoff, Ramil M. & Mokshin, Anatolii V., 2012. "Vibrational features of water at the low-density/high-density liquid structural transformations," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 391(9), pages 2842-2847.
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