The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity

Tripathy, Mukta; Schweizer, Kenneth S.

doi:10.1063/1.3157279

The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity

Journal Article · Mon Jun 29 00:00:00 EDT 2009 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3157279· OSTI ID:1876429

Tripathy, Mukta ^[1]; Schweizer, Kenneth S. ^[2]

Univ. of Illinois, Urbana, IL (United States); University of Illinois
Univ. of Illinois, Urbana, IL (United States)

We extend and apply the center-of-mass version of the microscopic naïve mode coupling theory to study the ideal kinetic glass transition of dense fluids and suspensions composed of broad families of one-, two-, and three- dimensional hard nonspherical particles. A kinetic arrest diagram is constructed which indicates a dynamical crossover or onset of activated barrier hopping controlled transport. We find (quasi-) one-dimensional rods and rings form ideal glasses at the lowest volume fractions which decrease strongly with aspect ratio. Two-dimensional disks form ideal glasses at intermediate volume fractions which decrease slowly with the number of particles comprising the planar objects. Compact three-dimensional cluster particles exhibit a subtle nonmonotonic variation of the onset volume fraction that depends on their detailed shape, surface corrugation, and intraparticle interstitial volume. A strong correlation between the ideal kinetic arrest volume fraction and dimensionless compressibility (amplitude of density fluctuations) is predicted. Here, the elastic shear modulus (transient localization length) grows (decreases) exponentially with volume fraction in a manner that becomes stronger as particle dimensionality increases.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: FG02-07ER46471

OSTI ID:: 1876429

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 24 Vol. 130; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (46)

Self-assembly: From nanoscale to microscale colloids Glotzer, S. C.; Solomon, M. J.; Kotov, N. A. AIChE Journal, Vol. 50, Issue 12 https://doi.org/10.1002/aic.10413	journal	January 2004
Minimal-energy clusters of hard spheres Sloane, N. J. A.; Hardin, R. H.; Duff, T. D. S. Discrete & Computational Geometry, Vol. 14, Issue 3 https://doi.org/10.1007/BF02570704	journal	October 1995
Dynamic and thermodynamic properties of glass-forming substances Ngai, K. L. Journal of Non-Crystalline Solids, Vol. 275, Issue 1-2 https://doi.org/10.1016/S0022-3093(00)00238-6	journal	September 2000
Self-assembly of anisotropic tethered nanoparticle shape amphiphiles Glotzer, Sharon C.; Horsch, Mark A.; Iacovella, Christopher R. Current Opinion in Colloid & Interface Science, Vol. 10, Issue 5-6 https://doi.org/10.1016/j.cocis.2005.09.011	journal	December 2005
Colloidal spheres confined by liquid droplets: Geometry, physics, and physical chemistry Manoharan, Vinothan N. Solid State Communications, Vol. 139, Issue 11-12 https://doi.org/10.1016/j.ssc.2006.04.038	journal	September 2006
Activated Hopping, Barrier Fluctuations, and Heterogeneity in Glassy Suspensions and Liquids ^† Schweizer, Kenneth S.; Saltzman, Erica J. The Journal of Physical Chemistry B, Vol. 108, Issue 51 https://doi.org/10.1021/jp047763j	journal	December 2004
Synthesis of Colloidal Silica Dumbbells Johnson, Patrick M.; van Kats, Carlos M.; van Blaaderen, Alfons Langmuir, Vol. 21, Issue 24 https://doi.org/10.1021/la0518750	journal	October 2005
Synthesis of Anisotropic Nanoparticles by Seeded Emulsion Polymerization Mock, Eric B.; De Bruyn, Hank; Hawkett, Brian S. Langmuir, Vol. 22, Issue 9 https://doi.org/10.1021/la060003a	journal	April 2006
Glassy Dynamics and Kinetic Vitrification of Isotropic Suspensions of Hard Rods Yatsenko, Galina; Schweizer, Kenneth S. Langmuir, Vol. 24, Issue 14 https://doi.org/10.1021/la8002492	journal	July 2008
Colloids get complex van Blaaderen, Alfons Nature, Vol. 439, Issue 7076 https://doi.org/10.1038/439545a	journal	February 2006
Anisotropy of building blocks and their assembly into complex structures Glotzer, Sharon C.; Solomon, Michael J. Nature Materials, Vol. 6, Issue 8, p. 557-562 https://doi.org/10.1038/nmat1949	journal	August 2007
Relaxation in glassforming liquids and amorphous solids Angell, C. A.; Ngai, K. L.; McKenna, G. B. Journal of Applied Physics, Vol. 88, Issue 6 https://doi.org/10.1063/1.1286035	journal	September 2000
Entropic barriers, activated hopping, and the glass transition in colloidal suspensions Schweizer, Kenneth S.; Saltzman, Erica J. The Journal of Chemical Physics, Vol. 119, Issue 2 https://doi.org/10.1063/1.1578632	journal	July 2003
Transport coefficients in glassy colloidal fluids Saltzman, Erica J.; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 119, Issue 2 https://doi.org/10.1063/1.1578633	journal	July 2003
Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids Chandler, David; Andersen, Hans C. The Journal of Chemical Physics, Vol. 57, Issue 5 https://doi.org/10.1063/1.1678513	journal	September 1972
Self-consistent mode-coupling theory for the viscosity of rodlike polyelectrolyte solutions Miyazaki, Kunimasa; Bagchi, Biman; Yethiraj, Arun The Journal of Chemical Physics, Vol. 121, Issue 16 https://doi.org/10.1063/1.1797193	journal	January 2004
Dynamic arrest in a liquid of symmetric dumbbells: Reorientational hopping for small molecular elongations Moreno, Angel J.; Chong, Song-Ho; Kob, Walter The Journal of Chemical Physics, Vol. 123, Issue 20 https://doi.org/10.1063/1.2085030	journal	November 2005
Nonlinear elasticity and yielding of depletion gels Kobelev, Vladimir; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 123, Issue 16 https://doi.org/10.1063/1.2109887	journal	October 2005
Derivation of a microscopic theory of barriers and activated hopping transport in glassy liquids and suspensions Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 123, Issue 24 https://doi.org/10.1063/1.2137701	journal	December 2005
Activated hopping and dynamical fluctuation effects in hard sphere suspensions and fluids Saltzman, Erica J.; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 125, Issue 4 https://doi.org/10.1063/1.2217739	journal	July 2006
Ideal glass transitions, shear modulus, activated dynamics, and yielding in fluids of nonspherical objects Yatsenko, Galina; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 126, Issue 1 https://doi.org/10.1063/1.2405354	journal	January 2007
Collisions, caging, thermodynamics, and jamming in the barrier hopping theory of glassy hard sphere fluids Schweizer, Kenneth S.; Yatsenko, Galina The Journal of Chemical Physics, Vol. 127, Issue 16 https://doi.org/10.1063/1.2780861	journal	October 2007
Relationships between the single particle barrier hopping theory and thermodynamic, disordered media, elastic, and jamming models of glassy systems Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 127, Issue 16 https://doi.org/10.1063/1.2780863	journal	October 2007
Crystal growth kinetics exhibit a fragility-dependent decoupling from viscosity Ediger, M. D.; Harrowell, Peter; Yu, Lian The Journal of Chemical Physics, Vol. 128, Issue 3 https://doi.org/10.1063/1.2815325	journal	January 2008
The influence of shape on the glassy dynamics of hard nonspherical particle fluids. II. Barriers, relaxation, fragility, kinetic vitrification, and universality Tripathy, Mukta; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 130, Issue 24 https://doi.org/10.1063/1.3157280	journal	June 2009
Linear viscoelasticity of colloidal mixtures Nägele, G.; Bergenholtz, J. The Journal of Chemical Physics, Vol. 108, Issue 23 https://doi.org/10.1063/1.476428	journal	June 1998
Relaxation processes in supercooled liquids Gotze, W.; Sjogren, L. Reports on Progress in Physics, Vol. 55, Issue 3 https://doi.org/10.1088/0034-4885/55/3/001	journal	March 1992
Phase transitions in lyotropic colloidal and polymer liquid crystals Vroege, G. J.; Lekkerkerker, H. N. W. Reports on Progress in Physics, Vol. 55, Issue 8 https://doi.org/10.1088/0034-4885/55/8/003	journal	August 1992
Connections between some kinetic and equilibrium theories of the glass transition Kirkpatrick, T. R.; Wolynes, P. G. Physical Review A, Vol. 35, Issue 7 https://doi.org/10.1103/PhysRevA.35.3072	journal	April 1987
Test of molecular mode coupling theory for general rigid molecules Theis, C.; Sciortino, F.; Latz, A. Physical Review E, Vol. 62, Issue 2 https://doi.org/10.1103/PhysRevE.62.1856	journal	August 2000
Ideal glass transitions for hard ellipsoids Letz, M.; Schilling, R.; Latz, A. Physical Review E, Vol. 62, Issue 4 https://doi.org/10.1103/PhysRevE.62.5173	journal	October 2000
Idealized glass transitions for a system of dumbbell molecules Chong, S. -H.; Götze, W. Physical Review E, Vol. 65, Issue 4 https://doi.org/10.1103/PhysRevE.65.041503	journal	April 2002
Structural relaxation in a system of dumbbell molecules Chong, S. -H.; Götze, W. Physical Review E, Vol. 65, Issue 5 https://doi.org/10.1103/PhysRevE.65.051201	journal	April 2002
Reference-point-independent dynamics of molecular liquids and glasses in the tensorial formalism Schilling, Rolf Physical Review E, Vol. 65, Issue 5 https://doi.org/10.1103/PhysRevE.65.051206	journal	May 2002
Possible resolution of the Kauzmann paradox in supercooled liquids Tanaka, Hajime Physical Review E, Vol. 68, Issue 1 https://doi.org/10.1103/PhysRevE.68.011505	journal	July 2003
Strain softening, yielding, and shear thinning in glassy colloidal suspensions Kobelev, Vladimir; Schweizer, Kenneth S. Physical Review E, Vol. 71, Issue 2 https://doi.org/10.1103/PhysRevE.71.021401	journal	February 2005
Non-Gaussian effects, space-time decoupling, and mobility bifurcation in glassy hard-sphere fluids and suspensions Saltzman, Erica J.; Schweizer, Kenneth S. Physical Review E, Vol. 74, Issue 6 https://doi.org/10.1103/PhysRevE.74.061501	journal	December 2006
Ideal vitrification, barrier hopping, and jamming in fluids of modestly anisotropic hard objects Yatsenko, Galina; Schweizer, Kenneth S. Physical Review E, Vol. 76, Issue 4 https://doi.org/10.1103/PhysRevE.76.041506	journal	October 2007
Large-amplitude jumps and non-Gaussian dynamics in highly concentrated hard sphere fluids Saltzman, Erica J.; Schweizer, Kenneth S. Physical Review E, Vol. 77, Issue 5 https://doi.org/10.1103/PhysRevE.77.051504	journal	May 2008
Evidence for the Weak Steric Hindrance Scenario in the Supercooled-State Reorientational Dynamics Chong, Song-Ho; Moreno, Angel J.; Sciortino, Francesco Physical Review Letters, Vol. 94, Issue 21 https://doi.org/10.1103/PhysRevLett.94.215701	journal	June 2005
Dynamics of Uniaxial Hard Ellipsoids De Michele, Cristiano; Schilling, Rolf; Sciortino, Francesco Physical Review Letters, Vol. 98, Issue 26 https://doi.org/10.1103/PhysRevLett.98.265702	journal	June 2007
Mode-coupling theory and the glass transition in supercooled liquids Das, Shankar P. Reviews of Modern Physics, Vol. 76, Issue 3 https://doi.org/10.1103/RevModPhys.76.785	journal	October 2004
Colloquium : The glass transition and elastic models of glass-forming liquids Dyre, Jeppe C. Reviews of Modern Physics, Vol. 78, Issue 3 https://doi.org/10.1103/RevModPhys.78.953	journal	September 2006
Shape-Controlled Synthesis of Gold and Silver Nanoparticles Sun, Yugang; Xia, Younan Science, Vol. 298, Issue 5601, p. 2176-2179 https://doi.org/10.1126/science.1077229	journal	December 2002
Dense Packing and Symmetry in Small Clusters of Microspheres Manoharan, Vinothan N.; Elsesser, Mark T.; Pine, David J. Science, Vol. 301, Issue 5632, p. 483-487 https://doi.org/10.1126/science.1086189	journal	July 2003
A practical density functional for polydisperse polymers Pagonabarraga, I.; Cates, M. E. Europhysics Letters (EPL), Vol. 55, Issue 3 https://doi.org/10.1209/epl/i2001-00422-6	journal	August 2001

Cited By (3)

Design rules for glass formation from model molecules designed by a neural-network-biased genetic algorithm Meenakshisundaram, Venkatesh; Hung, Jui-Hsiang; Simmons, David S. Soft Matter, Vol. 15, Issue 39 https://doi.org/10.1039/c9sm01486a	journal	January 2019
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. II. Thermal liquids Mirigian, Stephen; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 140, Issue 19 https://doi.org/10.1063/1.4874843	journal	May 2014
Elastically Cooperative Activated Barrier Hopping Theory of Relaxation in Viscous Fluids. I. General Formulation and Application to Hard Sphere Fluids Mirigian, Stephen; Schweizer, Kenneth S. arXiv https://doi.org/10.48550/arxiv.1402.5124	text	January 2014

Similar Records

Activated dynamics in dense fluids of attractive nonspherical particles. I. Kinetic crossover, dynamic free energies, and the physical nature of glasses and gels

Journal Article · Sun Apr 17 20:00:00 EDT 2011 · Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics · OSTI ID:1875065

Dynamic free energies, cage escape trajectories, and glassy relaxation in dense fluids of uniaxial hard particles

Journal Article · Thu Sep 09 20:00:00 EDT 2010 · Journal of Chemical Physics · OSTI ID:1875138

Kinetic arrest, dynamical transitions, and activated relaxation in dense fluids of attractive nonspherical colloids

Journal Article · Mon Jun 27 20:00:00 EDT 2011 · Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics · OSTI ID:1875528

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Classical statistical mechanics
Convex geometry
Glass transitions
Glassy dynamics
Integral equations
Reference interaction site model
Rotational dynamics
Shear modulus
Stochastic processes

The influence of shape on the glassy dynamics of hard nonspherical particle fluids. I. Dynamic crossover and elasticity

Citation Formats

References (46)

Cited By (3)

Similar Records

Related Subjects