Abstract
The results of the simulation of the glass transition process of argon at cooling rates of 1012, 1013, 1014, and 1015 K/s are reported. At temperatures far below the melting point, T f = 83.8 K, the second maximum of the radial distribution function is split into two peaks, which is connected with the glass transition. In addition, the form of this split changes depending on the cooling rates, which points to different structural states of the system. The calculation of the sound velocity in argon by means of correlation functions gives rise to quite reasonable results in the gaseous, liquid, glass, and crystalline states, including the areas of phase transitions.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Martynov, G.A., Klassicheskaya Statisticheskaya mekhanika. Teoriya zhidkostei (Classical Statistical Mechanics, The Theory of Liquids), 2nd ed., Dolgoprudnyi: Intellekt, 2014, vol. 328.
Sarkisov, G.N., Molecular distribution functions of stable, metastable and amorphous classical models, Phys. Usp., 2002, vol. 45, no. 6, pp. 597–617.
Tsydypov, Sh.B., Parfenov, A.N., Sanditov, D.S., Agrafonov, Yu.V., and Nesterov, A.S., Application of the molecular dynamics method and the excited state model to the investigation of the glass transition in argon, Glass Phys. Chem., 2006, vol. 32, no. 1, pp. 83–88.
Borisova, N.V., Shul’ts, M.M., and Ushakov, V.M., Vitrification of liquid phase systems: Configuration entropy and scale of cooperative motion, Inf. Byull. RFFI, 1998, vol. 6, no. 3, p. 502.
Rostiashvili, V.G., Fluktuatsionnaya gidrodinamika i teoriya steklovaniya (Fluctuation Fluid Mechanics and Vitrification Theory), Chernogolovka: Ob’ed. Inst. Khim. Fiz., 1986.
Biao, C. and Zhenhua, C., Bifurcation theory model for the glass transition, Phys. B: Condens. Matter, 1999, vol. 266, no. 3, pp. 152–161.
Gettse, V., Fazovye perekhody zhidkost’-steklo (Phase Liquid-Glass Transitions), Moscow: Nauka, 1992.
Sanditov, D.S., Tsydypov, Sh.B., and Bainova, A.B., A criterion of the vitrification of liquids in the model of excited atoms, Russ. J. Phys. Chem. A, 2004, vol. 78, no. 5, pp. 781–785.
Angell, C.A., Clarke, J.H.R., and Woodcock, L.V., Interaction potentials and glass formation: A survey of computer experiments, Adv. Chem. Phys., 1981, vol. 48, pp. 397–453.
Jackle, J., Models of the glass transition, Rep. Prog. Phys., 1986, vol. 49, pp. 171–231.
Yonezava, F., Computer glass transitions, in Topological Disorder in Condensed Matter, Proceedings of the 5th Taniguchi International Symposium, Yonezava, F. and Ninomiya, T., Eds., Berlin: Springer, 1983, pp. 80–110.
Kolotova, L.N., Norman, G.E., and Pisarev, V.V, Molecular-dynamical modeling of overcooled aluminium melt vitrification, Fiz.-Khim. Kinet. Gaz. Dinam., 2013, vol. 15, no. 1, pp. 15–19.
Kim, K. and Munakata, T., Glass transition of hard sphere systems: Molecular dynamics and density functional theory, Phys. Rev. E, 2003, vol. 68, no. 2, pp. 021502–021502.
Heermann, D.W., Computer Simulation Methods in Theoretical Physics, Berlin: Springer, 1986.
Berlin, A.A., Mazo, M.A., and Sinel’nikov, N.N., Melting and vitrification in binary systems of disks on a plane, Dokl. Phys., 1998, vol. 43, no. 2, pp. 144–147.
Croxton, C., Liquid State Physics, London: Cambridge Univ. Press, 1974.
Physics of Simple Liquids, Temperley, H.N.V., Rawlinson, J.S., and Rushbroke, G.S., Eds., Amsterdam: North-Holland, 1968.
Balesku, R., Equilibrium and Nonequilibrium Statistical Mechanics, New York: Wiley, 1978.
Vargaftik, N.B., Spravochnik po teplofizicheskim svoistvam gazov i zhidkostei (Tables on the Thermophysical Properties of Liquids and Gases), Moscow: Fizmatgiz, 1963; New York: Halsted Press, 1975.
Stewart, R.B. and Jacobsen, R.T., J. Phys. Chem. Ref. Data, 1989, vol. 18, no. 2, pp. 639–798.
Younglove, B.A., Thermophysical properties of fluids. Argon, ethylene, parahydrogen, nitrogen, nitrogen trifluoride, and oxygen, J. Phys. Chem. Ref. Data, Suppl., 1982, vol. 11, no. suppl. 1, pp. 1–353.
Rabinovich, V.A., Vasserman, A.A., and Nedostup, V.I., Teplofizicheskie svoistva neona, argona, kriptona i ksenona (Thermophysical Properties of Neon, Argon, Krypton and Xenon), Moscow: Izd. Standartov, 1976.
Sanditov, D.S., Tsydypov, Sh.B., and Parfenov, A.N., A study of the vitrification of argon by the molecular dynamics method, Russ. J. Phys. Chem. A, 2005, vol. 79, no. 9, pp. 1464–1467.
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © Sh.B. Tsydypov, E.I. German, V.N. Parfenov, 2017, published in Fizika i Khimiya Stekla.
Rights and permissions
About this article
Cite this article
Tsydypov, S.B., German, E.I. & Parfenov, V.N. Simulation of the molecular dynamics of the evolution of argon structural characteristics in the area of glass transition. Glass Phys Chem 43, 43–47 (2017). https://doi.org/10.1134/S1087659617010175
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1087659617010175