BSU Bulletin. Mathematics, Informatics
Bibliographic description:
, , , , SHORT-RANGE ORDER IN LIQUIDS AND AMORPHOUS SOLIDS // BSU Bulletin. Mathematics, Informatics. - 2019. №2. . - С. 61-71.
Title:
SHORT-RANGE ORDER IN LIQUIDS AND AMORPHOUS SOLIDS
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Using the method of molecular dynamics, we simulated the transition of a system of argon particles from a liquid to an amorphous state using two methods: the method of melt-quench, which is characteristic for description of the natural process of forming glassy and amorphous solids, and the method of the imposition of a local field, conditioned by limiting the mobility of particles by quasi-elastic forces in amorphous state. The process of amorphization was controlled by splitting the sec- ond maximum of the radial distribution function of particles into two separate peaks, which is characteristic of the amorphous phase. Despite the different mecha- nisms of amorphous structure formation obtained as a result of simulation, the sys- tems are similar in their parameters. A fluid model with imposed local interaction field behaves like an average between an equilibrium fluid and amorphous solids.
Keywords:
amorphization; melt structure; partial distribution functions; Ornstein– Zernike equation; phase transitions; melts; interparticle interaction; equilibrium states; nonequilibrium states; short-range order.
List of references:
Martynov G. A., Sarkisov G. N., Vompe A. G. New Closure for the Ornstein- Zernike Equation. The Journal of Chemical Physics. 1999. V. 110, Iss. 8. Pp. 3961– 3969.
Martynov G. A. Problemy fazovykh perekhodov v statisticheskoi mekhanike [Problems of Phase Transitions in Statistical Mechanics]. Uspekhi fizicheskikh nauk. 1999. V. 169. No. 6. Pp. 595–624.
Sarkisov G. N. Priblizhennye uravneniya teorii zhidkostei v statisticheskoi ter- modinamike klassicheskikh zhidkikh sistem [Approximate Equations of the Theory of Liquids in Statistical Thermodynamics of Classical Liquid Systems]. Uspekhi fizicheskikh nauk. 1999. V. 169. No. 6. Pp. 625–642.
Sarkisov G. N. Molekulyarnye funktsii raspredeleniya stabilnykh, metastabil- nykh i amorfnykh klassicheskikh modelei [Molecular Distribution Functions of Stable, Metastable and Amorphous Classical Models]. Uspekhi fizicheskikh nauk. 2002. V. 172. No. 6. Pp. 647–669.
Baranau V., Tallarek U. How to Predict the Ideal Glass Transition Density in Polydisperse Hard-Sphere Packings. The Journal of Chemical Physics. 2015. V. 143. No. 4. Pp. 044501.
Ignatieva L. N. et al. The Study of Short- and Medium-Range Order in Oxy- fluoroniobate Glasses. Journal of Non-Crystalline Solids. 2014. V. 401. Pp. 197–201.
Bomont J. M., Hansen J. P., Pastore G. An Investigation of the Liquid to Glass Transition Using Integral Equations for the Pair Structure of Coupled Replicae. The Journal of Chemical Physics. 2014. V. 141. No. 17. Pp. 174505.
Parisi G., Seoane B. Liquid-Glass Transition in Equilibrium. Physical Review E. 2014. V. 89. No. 2. Pp. 022309.
Liasneuski H. et al. Impact of Microstructure on the Effective Diffusivity in Random Packings of Hard Spheres. Journal of Applied Physics. 2014. V. 116. No. 3. Pp. 034904.
Agrafonov Yu. V., Zelentsov N. A., Petrushin V. S., Petrushin I. S. Radialnaya funktsiya raspredeleniya amorfnykh metallicheskikh lent [Radial Distribution Function of Amorphous Metal Tapes]. Sovremennye metallicheskie materialy i tekhnologii SSST-13 — Modern Metallic Materials and Technologies SST-13. Proc. 10th Int. Sci. and Tech. Conf. (St Petersburg, June 25–29, 2013). St Petersburg, 2013. Pp. 453–458.
Agrafonov Yu. V., Petrushin I. S. Dvukhchastichnaya funktsiya raspre- deleniya molekulyarnoi sistemy vblizi tverdoi poverkhnosti [Two-Particle Distribution Function of the Molecular System near a Solid Surface]. Sovremennye metallicheskie materialy i tekhnologii SSST-13 — Modern Metallic Materials and Technologies SST-
Proc. 11th Int. Sci. and Tech. Conf. (St Petersburg, June 23–27, 2015). St Peters-
burg, 2015. Pp. 477–487.
Tsydypov Sh. B., German E. I., Parfenov V. N. Modelirovanie metodom mole- kulyarnoi dinamiki evolyutsii strukturnykh kharakteristik argona v oblasti steklovaniya [Molecular Dynamics Simulation of the Evolution of Argon Structural Characteristics in Glass-Transition Range]. Glass Physics and Chemistry. 2017. V. 43. No. 1. Pp. 62– 68.
Tsydypov Sh. B., Parfenov A. N., Sanditov D. S., Agrafonov Yu. V., Nesterov
A. S. [Application of Molecular Dynamics Method and Excited-State Model in Study- ing Glass Transition of Argon]. Glass Physics and Chemistry. 2006. V. 32. No. 1. Pp. 116–123.
Martynov G. A. Problemy fazovykh perekhodov v statisticheskoi mekhanike [Problems of Phase Transitions in Statistical Mechanics]. Uspekhi fizicheskikh nauk. 1999. V. 169. No. 6. Pp. 595–624.
Sarkisov G. N. Priblizhennye uravneniya teorii zhidkostei v statisticheskoi ter- modinamike klassicheskikh zhidkikh sistem [Approximate Equations of the Theory of Liquids in Statistical Thermodynamics of Classical Liquid Systems]. Uspekhi fizicheskikh nauk. 1999. V. 169. No. 6. Pp. 625–642.
Sarkisov G. N. Molekulyarnye funktsii raspredeleniya stabilnykh, metastabil- nykh i amorfnykh klassicheskikh modelei [Molecular Distribution Functions of Stable, Metastable and Amorphous Classical Models]. Uspekhi fizicheskikh nauk. 2002. V. 172. No. 6. Pp. 647–669.
Baranau V., Tallarek U. How to Predict the Ideal Glass Transition Density in Polydisperse Hard-Sphere Packings. The Journal of Chemical Physics. 2015. V. 143. No. 4. Pp. 044501.
Ignatieva L. N. et al. The Study of Short- and Medium-Range Order in Oxy- fluoroniobate Glasses. Journal of Non-Crystalline Solids. 2014. V. 401. Pp. 197–201.
Bomont J. M., Hansen J. P., Pastore G. An Investigation of the Liquid to Glass Transition Using Integral Equations for the Pair Structure of Coupled Replicae. The Journal of Chemical Physics. 2014. V. 141. No. 17. Pp. 174505.
Parisi G., Seoane B. Liquid-Glass Transition in Equilibrium. Physical Review E. 2014. V. 89. No. 2. Pp. 022309.
Liasneuski H. et al. Impact of Microstructure on the Effective Diffusivity in Random Packings of Hard Spheres. Journal of Applied Physics. 2014. V. 116. No. 3. Pp. 034904.
Agrafonov Yu. V., Zelentsov N. A., Petrushin V. S., Petrushin I. S. Radialnaya funktsiya raspredeleniya amorfnykh metallicheskikh lent [Radial Distribution Function of Amorphous Metal Tapes]. Sovremennye metallicheskie materialy i tekhnologii SSST-13 — Modern Metallic Materials and Technologies SST-13. Proc. 10th Int. Sci. and Tech. Conf. (St Petersburg, June 25–29, 2013). St Petersburg, 2013. Pp. 453–458.
Agrafonov Yu. V., Petrushin I. S. Dvukhchastichnaya funktsiya raspre- deleniya molekulyarnoi sistemy vblizi tverdoi poverkhnosti [Two-Particle Distribution Function of the Molecular System near a Solid Surface]. Sovremennye metallicheskie materialy i tekhnologii SSST-13 — Modern Metallic Materials and Technologies SST-
Proc. 11th Int. Sci. and Tech. Conf. (St Petersburg, June 23–27, 2015). St Peters-
burg, 2015. Pp. 477–487.
Tsydypov Sh. B., German E. I., Parfenov V. N. Modelirovanie metodom mole- kulyarnoi dinamiki evolyutsii strukturnykh kharakteristik argona v oblasti steklovaniya [Molecular Dynamics Simulation of the Evolution of Argon Structural Characteristics in Glass-Transition Range]. Glass Physics and Chemistry. 2017. V. 43. No. 1. Pp. 62– 68.
Tsydypov Sh. B., Parfenov A. N., Sanditov D. S., Agrafonov Yu. V., Nesterov
A. S. [Application of Molecular Dynamics Method and Excited-State Model in Study- ing Glass Transition of Argon]. Glass Physics and Chemistry. 2006. V. 32. No. 1. Pp. 116–123.
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