Structural predictor for nonlinear sheared dynamics in simple glass-forming liquids

Proceedings of the National Academy of Sciences of the United States of America

Volumn 115, Issue 1, 2018, Pages 87-92

  Ingebrigtsen, Trond S ^a   Tanaka, Hajime ^a  

^a INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

Author keywords

Glass transition; Shear thinning; Sheared fluids; Slow dynamics; Structural entropy

Indexed keywords

GLASS;

ARTICLE; COMPUTER SIMULATION; DYNAMICS; ENTROPY; LIQUID; NONLINEAR SYSTEM; PREDICTION; PRIORITY JOURNAL; SHEAR FLOW; SHEAR RATE; STRUCTURE ANALYSIS;

EID: 85040169593     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1711655115     Document Type: Article

References (59)

1. Li JH, Uhlmann DR (1970) The flow of glass at high stress levels: I. Non-Newtonian behavior of homogeneous 0.08 Rb2O· 0.92 SiO2 glasses. J Non-Cryst Solids 3:127–147.
2. Cross MM (1979) Relation between viscoelasticity and shear-thinning behaviour in liquids. Rheol Acta 18:609–614.
3. Simmons JH, Mohr RK, Montrose CJ (1982) Non-Newtonian viscous flow in glass. J Appl Phys 53:4075–4080.
4. Hanley HJM, Rainwater JC, Clark NA, Ackerson BJ (1983) Liquid structure under shear: Comparison between computer simulations and colloidal suspensions. J Chem Phys 79:4448–4458.
5. Evans DJ, Hanley HJM, Hess S (1984) Non-Newtonian phenomena in simple fluids. Phys Today 37:26–33.
6. Schwarzl JF, Hess S (1986) Shear-flow-induced distortion of the structure of a fluid: Application of a simple kinetic equation. Phys Rev A 33:4277–4283.
7. Hanley HJM, Rainwater JC, Hess S (1987) Shear-induced angular dependence of the liquid pair correlation function. Phys Rev A 36:1795–1802.
8. Yamamoto R, Onuki A (1998) Dynamics of highly supercooled liquids: Heterogeneity, rheology, and diffusion. Phys Rev E 58:3515–3529.
9. Bair S, McCabe C, Cummings PT (2000) Comparison of nonequilibrium molecular dynamics with experimental measurements in the nonlinear shear-thinning regime. Phys Rev Lett 88:058302.
10. Fuchs M, Cates ME (2002) Theory of nonlinear rheology and yielding of dense colloidal suspensions. Phys Rev Lett 89:248304.
11. Berthier L, Barrat JL (2002) Nonequilibrium dynamics and fluctuation-dissipation relation in a sheared fluid. J Chem Phys 116:6228–6242.
12. Miyazaki K, Reichman DR (2002) Molecular hydrodynamic theory of supercooled liquids and colloidal suspensions under shear. Phys Rev E 66:050501R.
13. Furukawa A, Kim K, Saito S, Tanaka H (2009) Anisotropic cooperative structural rearrangements in sheared supercooled liquids. Phys Rev Lett 102:016001.
14. Lubchenko V (2009) Shear thinning in deeply supercooled melts. Proc Natl Acad Sci USA 106:11506–11510.
15. Cheng X, McCoy JH, Israelachvili JN, Cohen I (2011) Imaging the microscopic structure of shear thinning and thickening colloidal suspensions. Science 333:1276–1279.
16. Zhu W, Aitken BG, Sen S (2017) Communication: Non-Newtonian rheology of inorganic glass-forming liquids: Universal patterns and outstanding questions. J Chem Phys 146:081103.
17. Miyazaki K, Reichman DR, Yamamoto R (2004) Supercooled liquids under shear: Theory and simulation. Phys Rev E 70:011501.
18. Henrich O, Weysser F, Cates ME, Fuchs M (2009) Hard discs under steady shear: Comparison of Brownian dynamics simulations and mode coupling theory. Philos Trans A Math Phys Eng Sci 367:5033–5050.
19. Rosenfeld Y (1977) Relation between the transport coefficients and the internal entropy of simple systems. Phys Rev A 15:2545–2549.
20. Rosenfeld Y (1999) A quasi-universal scaling law for atomic transport in simple fluids. J Phys Condens Matter 11:5415–5427.
21. Dzugutov M (1996) A universal scaling law for atomic diffusion in condensed matter. Nature 381:137–139.
22. Wallace DC (1987) On the role of density fluctuations in the entropy of a fluid. J Chem Phys 87:2282–2284.
23. Mittal J, Errington JR, Truskett TM (2006) Relationship between thermodynamics and dynamics of supercooled liquids. J Chem Phys 125:076102.
24. Ingebrigtsen TS, Errington JR, Truskett TM, Dyre JC (2013) Predicting how nanocon-finement changes the relaxation time of a supercooled liquid. Phys Rev Lett 111:235901.
25. Samanta A, Ali SM, Ghosh SK (2001) Universal scaling laws of diffusion in a binary fluid mixture. Phys Rev Lett 87:245901.
26. Hoover WG (1986) Molecular Dynamics: Lecture Notes in Physics (Springer, Berlin), Vol 258.
27. Gnan N, Schrøder TB, Pedersen UR, Bailey NP, Dyre JC (2009) Pressure-energy correlations in liquids. iv. “Isomorphs” in liquid phase diagrams. J Chem Phys 131:234504.
28. Ingebrigtsen TS, Schrøder TB, Dyre JC (2012) What is a simple liquid? Phys Rev X 2:011011.
29. Bacher AK, Dyre JC (2014) The mother of all pair potentials. Colloid Polym Sci 292:1971–1975.
30. Bacher AK, Schrøder TB, Dyre JC (2014) Explaining why simple liquids are quasi-universal. Nat Commun 5:5424.
31. Mittal J, Errington JR, Truskett TM (2007) Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids. J Phys Chem B 111:10054.
32. Joy A (2017) Universal scaling of pair-excess entropy and diffusion in Yukawa liquids. Phys Plasmas 24:010702.
33. Hoyt JJ, Asta M, Sadigh B (2000) Test of the universal scaling law for the diffusion coefficient in liquid metals. Phys Rev Lett 85:594–597.
34. Chakraborty SN, Chakravarty C (2006) Diffusivity, excess entropy, and the potential-energy landscape of monatomic liquids. J Chem Phys 124:014507.
35. Fomin YD, Ryzhov VN, Gribova NV (2010) Breakdown of excess entropy scaling for systems with thermodynamic anomalies. Phys Rev E 81:061201.
36. Gallo P, Rovere M (2015) Relation between the two-body entropy and the relaxation time in supercooled water. Phys Rev E 91:012107.
37. Mishra RK, Lalneihpuii R (2016) Test of the universal scaling law for square well liquid metals. J Non-Cryts Solids 444:11–15.
38. Kawasaki T, Araki T, Tanaka H (2007) Correlation between dynamic heterogeneity and medium-range order in two-dimensional glass-forming liquids. Phys Rev Lett 99:215701.
39. Watanabe K, Tanaka H (2008) Direct observation of medium-range crystalline order in granular liquids near the glass transition. Phys Rev Lett 100:158002.
40. Tanaka H, Kawasaki T, Shintani H, Watanabe K (2010) Critical-like behaviour of glass-forming liquids. Nat Mater 9:324–331.
41. Kawasaki T, Tanaka H (2011) Structural signature of slow dynamics and dynamic heterogeneity in two-dimensional colloidal liquids: Glassy structural order. J Phys Condens Matter 23:194121.
42. Watanabe K, Kawasaki T, Tanaka H (2011) Structural origin of enhanced slow dynamics near a wall in glass-forming systems. Nat Mater 10:512–520.
43. Tanaka H (2012) Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization. Eur Phys J E 35:113.
44. Leocmach M, Russo J, Tanaka H (2013) Importance of many-body correlations in glass transition: An example from polydisperse hard spheres. J Chem Phys 138:12A536.
45. Krekelberg WP, Ganesan V, Truskett TM (2008) Shear-rate-dependent structural order and viscosity of a fluid with short-range attractions. Phys Rev E 78:010201R.
46. Krekelberg WP, Ganesan V, Truskett TM (2010) Structural signatures of mobility on intermediate time scales in a supercooled fluid. J Chem Phys 132:184503.
47. Weeks JD, Chandler D, Andersen HC (1971) Role of repulsive forces in determining the equilibrium structure of simple liquids. J Chem Phys 54:5237–5247.
48. Dzugutov M (1992) Glass formation in a simple monatomic liquid with icosahedral inherent local order. Phys Rev A 46:R2984.
49. Kob W, Andersen HC (1995) Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture: The van hove correlation function. Phys Rev E 51:4626–4641.
50. Stillinger FH (1976) Phase transitions in the Gaussian core system. J Chem Phys 65:3968–3974.
51. Bailey NP, et al. (2015) RUMD: A general purpose molecular dynamics package optimized to utilize GPU hardware down to a few thousand particles. arXiv 1506.05094.
52. Evans DJ, Morriss GP (1984) Nonlinear-response theory for steady planar Couette flow. Phys Rev A 30:1528–1530.
53. Delhommelle J (2005) Should “lane formation” occur systematically in driven liquids and colloids? Phys Rev E 71:016705.
54. Evans DJ, Morriss G (2008) Statistical Mechanics of Nonequilibrium Liquids (Cambridge Univ Press, New York), 2nd Ed.
55. Ding Y, Mittal J (2015) Equilibrium and nonequilibrium dynamics of soft sphere fluids. Soft Matter 11:5274–5281.
56. Furukawa A (2017) Onset of shear thinning in glassy liquids: Shear-induced small reduction of effective density. Phys Rev E 95:012613.
57. Berthier L, Barrat JL, Kurchan J (2000) A two-time-scale, two-temperature scenario for nonlinear rheology. Phys Rev E 61:5464–5472.
58. Haxton TK, Liu AJ (2007) Activated dynamics and effective temperature in a steady state sheared glass. Phys Rev Lett 99:195701.
59. Schroer CFE, Heuer A (2015) Understanding the nonlinear dynamics of driven particles in supercooled liquids in terms of an effective temperature. J Chem Phys 143:224501.