Professor Peter Harrowell

BSc Sydney; PhD Chicago
Professor of Theoretical Chemistry

F11 - Chemistry Building
The University of Sydney

Telephone 61 2 9351 4102
Fax 61 2 9351 3329

Website Contact Details

Biographical details

  • B.Sc. (University of Sydney)
  • Ph.D. (University of Chicago)

Research interests

  • statistical mechanics
  • nucleation
  • crystal growth
  • rheology of ordered materials
  • transitions in nonequilibrium systems
  • computer simulation methods
  • liquid crystals
  • glass transitions
  • theory of highly cooperative dynamics
  • the physics of biological processes
  • history of science

Glass Transition: We are carrying out detailed analysis of the nature of slow relaxation in some simple models of glass forming liquids using computer simulations and theoretical treatments.

In studies of a facilitated kinetic Ising model [Harrowell, Phys.Rev.E, 48, 4359 (1993)] we concluded that the glassy dynamics was the result of an increasing inhomogeneity in the spatial distribution of relaxation kinetics.

This insight has proved a valuable approach to the analysis of structural relaxation in simple liquids [Hurley and Harrowell, Phys.Rev.E, 52, 1694 (1995), J.Chem.Phys., to be published (1996)]. It also provides a valuable general framework with which to relate the range of glass behaviour [Perera and Harrowell, Phys.Rev.E, 54, 1652 (1996)]. We are currently undertaking a detailed study of nature of relaxation and structural fluctuations in supercooled biinary liquid mixtures in 2D using molecular dynamic simulations and theoretical descriptions of the collective processes.

Shear Induced Transitions in Colloidal Suspensions: Extensive nonequilibrium simulations of dilute suspensions of charged colloidal particles have been undertaken with the aim of establishing the correct physical picture of the order/disorder transitions observed experimentally under the influence of shear. We have reproduced the shear induced disordering transition observed in colloidal crystals [Butler and Harrowell, J.Chem.Phys. 103, 4653 (1995)] and established that long wavelength fluctuations play a central role in the transition, unlike its equilibrium analogue. We have also demonstrated that the frequently reported observation of shear induced ordering in simulated liquids CAN arise as an artefact of shearing a liquid through periodic boundary conditions [Butler and Harrowell, J.Chem.Phys. 105, 605 (1996)]. The kinetics of crystallization in a shearing suspension has also been examined [Butler and Harrowell, Phys.Rev.E, 52, 6424 (1996)].

Current work focuses on developing a clearer insight into the coupling of shear flow with structural fluctuations.

The Stabilization of Layered Liquid Crystal Phases: We have just completed a Monte Carlo simulation study of the role of flexible end chains on stabilizing Smectic A and Smectic C phases of liquid crystals. We have demonstrated for the first time that both phases can be stabilized from purely entropic effects [Casey and Harrowell, in preparation]. Ongoing work involves the study of phase transitions in small clusters of mesogens.

Crystal Growth: Our current work involves looking at two questions. The first is the description of crystallization involving density change under conditions of constant N and V (as is often the case). Under these conditions the supercooling is, itself, varying with time [Wild and Harrowell, in preparation]. The second problem considers the relationship between a crystal surface's ability to organize the adjacent liquid and the kinetics of the growth process. Our current work builds on earlier results [Williams, Moss and Harrowell, J.Chem.Phys. 99, 3998 (1993); Moss and Harrowell, J.Chem.Phys. 100, 7630 (1994)] in which we showed that close packed surfaces with short range interactions were unable to fully break the symmetry of the adjacent liquid and hence the growth of these surfaces was impeded.

Selected grants

2014

  • Soft Modes, Amorphous Defects and the Mechanical Properties of Metallic Glasses; Harrowell P; Australian Research Council (ARC)/Discovery Projects (DP).

2013

  • Computer Modelling of the Dissolution of an Amorphous Solid; Harrowell P; DVC Research/Bridging Support Grant.

2012

  • Packing vs Electrostatics: Ordering Ionic Clusters; Harrowell P; DVC Research/Bridging Support Grant.

2009

  • Atomistic Mechanisms of Stress Relaxation in Amorphous Materials; Harrowell P, Hudson T; Australian Research Council (ARC)/Discovery Projects (DP).

2007

  • Fluctuation effects in non-crystallizing liquids; Harrowell P, Angell C; Australian Research Council (ARC)/Discovery Projects (DP).

2006

  • Stability and structure of the interface between metallic glass and its congruent crystal phases; Harrowell P; AOARD-US AIR FORCE/AOARD Research Grant.

2005

  • Modelling Ternary Amorphous Metallic Alloys; Harrowell P; AOARD-US AIR FORCE/Research Grant.

2004

  • The stability of glass-forming alloys: simulation studies; Harrowell P, Denny W; Australian Research Council (ARC)/Discovery Projects (DP).

2003

  • Simulation studies of stick and slip at the solid-liquid boundary; Tanner R, Harrowell P; Australian Research Council (ARC)/Discovery Projects (DP).

2000

  • Flow and fracture in a glass-forming liquid: nonequilibrium simulations; Harrowell P; Australian Research Council (ARC)/Large Research Grants (LRG).
  • Simulation studies of cooperative dynamics in a glass-forming liquid; Harrowell P; Australian Research Council (ARC)/Large Research Grants (LRG).
  • Glass transitions in microemulsions.; Harrowell P, Warr G; Australian Research Council (ARC)/Small Grants.

Selected publications

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Journals

  • Tondl, E., Ramsay, M., Harrowell, P., Widmer-Cooper, A. (2014). Defect-mediated relaxation in the random tiling phase of a binary mixture: Birth, death and mobility of an atomic zipper. Journal of Chemical Physics, 140(10), 1-8. [More Information]
  • Ronceray, P., Harrowell, P. (2014). Multiple ordering transitions in a liquid stabilized by low symmetry structures. Physical Review Letters, 112(1), 017801-1-017801-5. [More Information]
  • Tang, C., Harrowell, P. (2013). Anomalously slow crystal growth of the glass-forming alloy CuZr. Nature Materials, 12(6), 507-511. [More Information]
  • Douglass, I., Harrowell, P. (2013). Can a stable glass be superheated? Modelling the kinetic stability of coated glassy films. Journal of Chemical Physics, 138(12), 1-6. [More Information]
  • Ronceray, P., Harrowell, P. (2013). Influence of liquid structure on the thermodynamics of freezing. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 87(5), 1-10. [More Information]
  • Ronceray, P., Harrowell, P. (2012). Geometry and the entropic cost of locally favoured structures in a liquid. Journal of Chemical Physics, 136(13), 134504-1-134504-4. [More Information]
  • Huang, D., Harrowell, P. (2012). Molecular shape and the energetics of chemisorption: From simple to complex energy landscapes. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 86(1), 1-8. [More Information]
  • Ediger, M., Harrowell, P. (2012). Perspective: Supercooled liquids and glasses. Journal of Chemical Physics, 137(8), 080901-1-080901-15. [More Information]
  • Tang, C., Harrowell, P. (2012). Predicting the solid state phase diagram for glass-forming alloys of copper and zirconium. Journal of Physics: Condensed Matter, 24(24), 1-7. [More Information]
  • de Souza, V., Harrowell, P. (2012). Structurally determined directionality identifies the boundary between mobile and immobile domains in a disordered material. Journal of Chemical Physics, 136(5), 1-3. [More Information]
  • Abraham, S., Harrowell, P. (2012). The origin of persistent shear stress in supercooled liquids. Journal of Chemical Physics, 137(1), 1-8. [More Information]
  • Huang, D., Harrowell, P. (2011). Controlling adsorbate diffusion on a high-symmetry surface through molecular shape selection. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 115(19), 9526-9534. [More Information]
  • Pedersen, U., Hudson, T., Harrowell, P. (2011). Crystallization of the Lewis-Wahnstrom ortho-terphenyl model. Journal of Chemical Physics, 134(11), 114501-1-114501-6. [More Information]
  • Pedersen, U., Harrowell, P. (2011). Factors contributing to the glass-forming ability of a simulated molecular liquid. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 115(48), 14205-14209. [More Information]
  • Wen, P., Harrowell, P., Angell, C. (2011). Fast and Slow Components in the Crystallization of a Model Multicomponent System, NaKCa(NO3): The Role of Composition Fluctuations. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 115(23), 6260-6268. [More Information]
  • De Souza, V., Harrowell, P. (2011). Length scales of dynamic heterogeneities in a network of fluctuating mechanical constraints. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 83(1), 011501-1-011501-5. [More Information]
  • Ping, W., Paraska, D., Baker, R., Harrowell, P., Angell, C. (2011). Molecular Engineering of the Glass Transition: Glass-forming Ability across a Homologous Series of Cyclic Stilbenes. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 115(16), 4696-4702. [More Information]
  • Widmer-Cooper, A., Harrowell, P. (2011). Structural phases in non-additive soft-disk mixtures: Glasses, substitutional order, and random tilings. Journal of Chemical Physics, 135(22), 224515-1-224515-10.
  • Hudson, T., Harrowell, P. (2011). Structural searches using isopointal sets as generators: densest packings for binary hard sphere mixtures. Journal of Physics: Condensed Matter, 23(19), 194103-1-194103-6. [More Information]
  • Harrowell, P., Fernandez, J., Miracle, D. (2011). The chemically ordered glass: the limiting composition for chemical order in amorphous packings of hard-sphere mixtures. Molecular Simulation, 37(4), 293-298. [More Information]
  • de Souza, V., Harrowell, P. (2011). The influence of overconstraint on the spatial distribution of mobility in an amorphous network. Journal of Chemical Physics, 135(19), 194505-1-194505-5. [More Information]
  • Ronceray, P., Harrowell, P. (2011). The variety of ordering transitions in liquids characterized by a locally favoured structure. Europhysics Letters, 96(3), 36005-1-36005-5. [More Information]
  • Pederson, U., Schroder, T., Dyre, J., Harrowell, P. (2010). Geometry of slow structural fluctuations in a supercooled binary alloy. Physical Review Letters, 104(10), 105701-1-105701-4. [More Information]
  • Leonard, S., Harrowell, P. (2010). Macroscopic facilitation of glassy relaxation kinetics: Ultrastable glass films with frontlike thermal response. Journal of Chemical Physics, 133(24), 244502-1-244502-12. [More Information]
  • Harrowell, P. (2010). On the existence of a structural instability in sub-critical crystalline fluctuations in a supercooled liquid. Journal of Physics: Condensed Matter, 22(36), 1-5.
  • Candelier, R., Widmer-Cooper, A., Kummerfeld, J., Dauchot, O., Biroli, G., Harrowell, P., Reichman, D. (2010). Spatiotemporal hierarchy of relaxation events, dynamical heterogeneities, and structural reorganization in a supercooled liquid. Physical Review Letters, 105(13), 135702-1-135702-4.
  • Widmer-Cooper, A., Harrowell, P. (2009). Central role of thermal collective strain in the relaxation of structure in a supercooled liquid. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 80(6), 061501-1-061501-6.
  • Wen, P., Harrowell, P., Byrne, N., Angell, C. (2009). Composition dependence of the solid state transitions in NaN03/KN03 mixtures. Thermochimica acta, 486(1-2), 27-31.
  • Widmer-Cooper, A., Perry, H., Harrowell, P., Reichman, D. (2009). Localized soft modes and the supercooled liquid's irreversible passage through its configuration space. Journal of Chemical Physics, 131(19), 194508-1-194508-12.
  • Miracle, D., Harrowell, P. (2009). Noncrystalline compact packings of hard spheres of two sizes: Bipyramids and the geometry of common neighbors. Journal of Chemical Physics, 130(11), 114505-1-114505-6.
  • De Souza, V., Harrowell, P. (2009). Rigidity percolation and the spatial heterogeneity of soft modes in disordered materials. Proceedings of the National Academy of Sciences (PNAS) of the United States of America, 106(36), 15136-15141.
  • Petravic, J., Harrowell, P. (2009). Spatial Dependence of Viscosity and Thermal Conductivity through a Planar Interface. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 113(7), 2059-2065.
  • De Souza, V., Harrowell, P. (2009). Unconstrained motions, dynamic heterogeneities, and relaxation in disordered solids. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 80(4), 041503-1-041503-11.
  • Ediger, M., Harrowell, P., Yu, L. (2008). Crystal growth kinetics exhibit a fragility-dependent decoupling from viscosity. Journal of Chemical Physics, 128(3), 034709-1-034709-6.
  • Alcaraz, A., Duhau, R., Fernandez, J., Harrowell, P., Miracle, D. (2008). Dense amorphous packing of binary hard sphere mixtures with chemical order: The stability of a solute ordered approximant. Journal of Non-Crystalline Solids, 354(27), 3171-3178. [More Information]
  • Hudson, T., Harrowell, P. (2008). Dense Packings of Hard Spheres of Different Sizes Based on Filling Interstices in Uniform Three-Dimensional Tilings. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 112(27), 8139-8143.
  • Petravic, J., Harrowell, P. (2008). Equilibrium calculations of viscosity and thermal conductivity across a solid-liquid interface using boundary fluctuations. Journal of Chemical Physics, 128(19), 194710/1-194710/12.
  • Widmer-Cooper, A., Perry, H., Harrowell, P., Reichman, D. (2008). Irreversible reorganization in a supercooled liquid originates from localized soft modes. Nature Physics, 4(9), 711-715.
  • Kummerfeld, J., Hudson, T., Harrowell, P. (2008). The Densest Packing of AB Binary Hard-Sphere Homogeneous Compounds across all Size Ratios. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 112(35), 10773-10776.
  • Hudson, T., Harrowell, P. (2007). A systematic enumeration of local topological relaxation mechanisms in amorphous networks and their efficiency in network relaxation. Journal of Chemical Physics, 126(18), 184502-1-184502-5.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2007). Crystal bridges, tetratic order, and elusive equilibria: The role of structure in lubrication films. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 111(39), 11354-11365.
  • Petravic, J., Harrowell, P. (2007). On the equilibrium calculation of the friction coefficient for liquid slip against a wall. Journal of Chemical Physics, 127(17), 174706-1-174706-6.
  • Widmer-Cooper, A., Harrowell, P. (2007). On the study of collective dynamics in supercooled liquids through the statistics of the isoconfigurational ensemble. Journal of Chemical Physics, 126(15), 154503-1-154503-9.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2007). The structural origin of the complex rheology in thin dodecane films: Three routes to low friction. Tribology International, 40(10-12), 1574-1586.
  • Petravic, J., Harrowell, P. (2006). An equilibrium calculation of the thermal transport coefficients between two planes of arbitrary separation in a condensed phase. Journal of Chemical Physics, 124(4), 044512-1-044512-5.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2006). Crystal bridge formation marks the transition to rigidity in a thin lubrication film. Physical Review Letters, 96(20), 206102-1-206102-4. [More Information]
  • Petravic, J., Harrowell, P. (2006). Crystal-melt coexistence under shear: Interpreting the nonlinear rheology. Journal of Chemical Physics, 125(12), 124502-1-124502-7.
  • Widmer-Cooper, A., Harrowell, P. (2006). Free volume cannot explain the spatial heterogeneity of Debye–Waller factors in a glass-forming binary alloy. Journal of Non-Crystalline Solids, 352(42-49), 5098-5102. [More Information]
  • Harrowell, P. (2006). Glass transitions in plane view. Nature Physics, 2(3), 157-158.
  • Thomas, B., Marks, N., Harrowell, P. (2006). Inversion of defect interactions due to ordering in Sr1-3x/2LaxTiO3 perovskites: An atomistic simulation study. Physical Review B (Condensed Matter and Materials Physics), 74(21), 214109-1-214109-11.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2006). Low friction lubrication between amorphous walls: Unraveling the contributions of surface roughness and in-plane disorder. Journal of Chemical Physics, 125(3), 034703-1-034703-11.
  • Widmer-Cooper, A., Harrowell, P. (2006). Predicting the long-time dynamic heterogeneity in a supercooled liquid on the basis of short-time heterogeneities. Physical Review Letters, 96(18), 185701-1-185701-4.
  • Petravic, J., Harrowell, P. (2006). The boundary fluctuation theory of transport coefficients in the linear-response limit. Journal of Chemical Physics, 124(1), 14103-1-14103-6.
  • Petravic, J., Harrowell, P. (2005). Linear response theory for thermal conductivity and viscosity in terms of boundary fluctuations. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 71(6), 061201-1-061201-6.
  • Widmer-Cooper, A., Harrowell, P. (2005). On the relationship between structure and dynamics in a supercooled liquid. Journal of Physics: Condensed Matter, 17(49), 4025-4034.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2005). Very low friction state of a dodecane film confined between mica surfaces. Physical Review Letters, 94(12), 126103-126103-4.
  • Widmer-Cooper, A., Harrowell, P., Fynewever, H. (2004). How Reproducible Are Dynamic Heterogeneities In A Supercooled Liquid? Physical Review Letters, 93(13), 135701-1-135701-4.
  • Wootton, A., Harrowell, P. (2004). Inorganic Nanotubes Stabilized By Ion Size Asymmetry: Energy Calculations For Agi Clusters. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 108(24), 8412-8418.
  • Fernandez, J., Harrowell, P. (2004). Ordered Binary Crystal Phases Of Lennard-Jones Mixtures. Journal of Chemical Physics, 120(19), 9222-9232.
  • Fernandez, J., Harrowell, P. (2004). Organization Of Coordination Polyhedra In An Amorphous Binary Alloy. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 108(21), 6850-6855.
  • Wootton, A., Harrowell, P. (2004). Polyhedral Ground States In Clusters Of Asymmetric Hard Sphere Ions. Journal of Chemical Physics, 121(15), 7440-7442.
  • Fernandez, J., Harrowell, P. (2003). Crystal phases of a glass-forming Lennard-Jones mixture. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 67(1), 011403-1-011403-7.
  • Butler, S., Harrowell, P. (2003). Simulation of the coexistence os a shearing liquid and a strained crystal. Journal of Chemical Physics, 118(9), 4115-4127.
  • Butler, S., Harrowell, P. (2003). Structure and stability of the interface between a strained crystal and a shearing liquid. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 67(5), 051503-1-051503-7.
  • Gonzalez Padilla, F., Harrowell, P., Fynewever, H. (2002). Elementary excitations and the specific heat peak in a supercooled mixture: simulation studies. Journal of Non-Crystalline Solids, 307(10), 436-441.
  • Butler, S., Harrowell, P. (2002). Factors determining crystal-liquid coexistence under shear. Nature, 415(6875), 1008-1011.
  • Harrowell, P., Gonzalez Padilla, F. (2002). Thermodynamics of a soft disk glass: The role of configurational constraints. Journal of Chemical Physics, 116(10), 4232-4239.
  • Wild, R., Harrowell, P. (2001). Density functional theory of the kinetics of crystallization of a hard sphere suspension: Coupling structure to density. Journal of Chemical Physics, 114, 9059-9068.
  • Wootton, A., Thomas, B., Harrowell, P. (2001). Radiation-induced densification in amorphous silica: A computer simulation study. Journal of Chemical Physics, 115, 3336-3341.

Conferences

  • Hudson, T., Harrowell, P. (2009). Topological characterization of rearrangement events in supercooled water. Gordon Research Conference on the Physics and Chemistry of Liquids, N/A: N/A.
  • Wootton, A., Picavez, F., Harrowell, P. (2008). The structure and thermodynamic stability of reverse micelles in dry AOT/Alkane mixtures. AIP, 5th International Workshop on Complex Systems, USA: American Institute of Physics (AIP).
  • Fernandez, J., Harrowell, P. (2006). What stabilizes the intermediate structure of an amorphous alloy? Flow Dynamics: the Second International Conference on Flow Dynamics (AIP 2005), USA: American Institute of Physics (AIP).
  • Fernandez, J., Harrowell, P. (2004). Crystallisation And Local Order In Glass-Forming Binary Mixtures. Slow Dynamics in Complex Systems:3rd International Symposium, USA: American Institute of Physics (AIP).
  • Widmer-Cooper, A., Harrowell, P. (2004). How Reproducible Is The Structure Of Dynamic Heterogeneity In Glass Forming Liquids? Slow Dynamics in Complex Systems, New York: American Institute of Physics (AIP).
  • Harrowell, P., Fynewever, H., Padilla, F. (2001). Origin of the heat capacity peak in a glass-forming mixture. 221st National Meeting American Chemical Society, : Ads & Adea.

2014

  • Tondl, E., Ramsay, M., Harrowell, P., Widmer-Cooper, A. (2014). Defect-mediated relaxation in the random tiling phase of a binary mixture: Birth, death and mobility of an atomic zipper. Journal of Chemical Physics, 140(10), 1-8. [More Information]
  • Ronceray, P., Harrowell, P. (2014). Multiple ordering transitions in a liquid stabilized by low symmetry structures. Physical Review Letters, 112(1), 017801-1-017801-5. [More Information]

2013

  • Tang, C., Harrowell, P. (2013). Anomalously slow crystal growth of the glass-forming alloy CuZr. Nature Materials, 12(6), 507-511. [More Information]
  • Douglass, I., Harrowell, P. (2013). Can a stable glass be superheated? Modelling the kinetic stability of coated glassy films. Journal of Chemical Physics, 138(12), 1-6. [More Information]
  • Ronceray, P., Harrowell, P. (2013). Influence of liquid structure on the thermodynamics of freezing. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 87(5), 1-10. [More Information]

2012

  • Ronceray, P., Harrowell, P. (2012). Geometry and the entropic cost of locally favoured structures in a liquid. Journal of Chemical Physics, 136(13), 134504-1-134504-4. [More Information]
  • Huang, D., Harrowell, P. (2012). Molecular shape and the energetics of chemisorption: From simple to complex energy landscapes. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 86(1), 1-8. [More Information]
  • Ediger, M., Harrowell, P. (2012). Perspective: Supercooled liquids and glasses. Journal of Chemical Physics, 137(8), 080901-1-080901-15. [More Information]
  • Tang, C., Harrowell, P. (2012). Predicting the solid state phase diagram for glass-forming alloys of copper and zirconium. Journal of Physics: Condensed Matter, 24(24), 1-7. [More Information]
  • de Souza, V., Harrowell, P. (2012). Structurally determined directionality identifies the boundary between mobile and immobile domains in a disordered material. Journal of Chemical Physics, 136(5), 1-3. [More Information]
  • Abraham, S., Harrowell, P. (2012). The origin of persistent shear stress in supercooled liquids. Journal of Chemical Physics, 137(1), 1-8. [More Information]

2011

  • Huang, D., Harrowell, P. (2011). Controlling adsorbate diffusion on a high-symmetry surface through molecular shape selection. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 115(19), 9526-9534. [More Information]
  • Pedersen, U., Hudson, T., Harrowell, P. (2011). Crystallization of the Lewis-Wahnstrom ortho-terphenyl model. Journal of Chemical Physics, 134(11), 114501-1-114501-6. [More Information]
  • Pedersen, U., Harrowell, P. (2011). Factors contributing to the glass-forming ability of a simulated molecular liquid. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 115(48), 14205-14209. [More Information]
  • Wen, P., Harrowell, P., Angell, C. (2011). Fast and Slow Components in the Crystallization of a Model Multicomponent System, NaKCa(NO3): The Role of Composition Fluctuations. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 115(23), 6260-6268. [More Information]
  • De Souza, V., Harrowell, P. (2011). Length scales of dynamic heterogeneities in a network of fluctuating mechanical constraints. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 83(1), 011501-1-011501-5. [More Information]
  • Ping, W., Paraska, D., Baker, R., Harrowell, P., Angell, C. (2011). Molecular Engineering of the Glass Transition: Glass-forming Ability across a Homologous Series of Cyclic Stilbenes. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 115(16), 4696-4702. [More Information]
  • Widmer-Cooper, A., Harrowell, P. (2011). Structural phases in non-additive soft-disk mixtures: Glasses, substitutional order, and random tilings. Journal of Chemical Physics, 135(22), 224515-1-224515-10.
  • Hudson, T., Harrowell, P. (2011). Structural searches using isopointal sets as generators: densest packings for binary hard sphere mixtures. Journal of Physics: Condensed Matter, 23(19), 194103-1-194103-6. [More Information]
  • Harrowell, P., Fernandez, J., Miracle, D. (2011). The chemically ordered glass: the limiting composition for chemical order in amorphous packings of hard-sphere mixtures. Molecular Simulation, 37(4), 293-298. [More Information]
  • de Souza, V., Harrowell, P. (2011). The influence of overconstraint on the spatial distribution of mobility in an amorphous network. Journal of Chemical Physics, 135(19), 194505-1-194505-5. [More Information]
  • Ronceray, P., Harrowell, P. (2011). The variety of ordering transitions in liquids characterized by a locally favoured structure. Europhysics Letters, 96(3), 36005-1-36005-5. [More Information]

2010

  • Pederson, U., Schroder, T., Dyre, J., Harrowell, P. (2010). Geometry of slow structural fluctuations in a supercooled binary alloy. Physical Review Letters, 104(10), 105701-1-105701-4. [More Information]
  • Leonard, S., Harrowell, P. (2010). Macroscopic facilitation of glassy relaxation kinetics: Ultrastable glass films with frontlike thermal response. Journal of Chemical Physics, 133(24), 244502-1-244502-12. [More Information]
  • Harrowell, P. (2010). On the existence of a structural instability in sub-critical crystalline fluctuations in a supercooled liquid. Journal of Physics: Condensed Matter, 22(36), 1-5.
  • Candelier, R., Widmer-Cooper, A., Kummerfeld, J., Dauchot, O., Biroli, G., Harrowell, P., Reichman, D. (2010). Spatiotemporal hierarchy of relaxation events, dynamical heterogeneities, and structural reorganization in a supercooled liquid. Physical Review Letters, 105(13), 135702-1-135702-4.

2009

  • Widmer-Cooper, A., Harrowell, P. (2009). Central role of thermal collective strain in the relaxation of structure in a supercooled liquid. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 80(6), 061501-1-061501-6.
  • Wen, P., Harrowell, P., Byrne, N., Angell, C. (2009). Composition dependence of the solid state transitions in NaN03/KN03 mixtures. Thermochimica acta, 486(1-2), 27-31.
  • Widmer-Cooper, A., Perry, H., Harrowell, P., Reichman, D. (2009). Localized soft modes and the supercooled liquid's irreversible passage through its configuration space. Journal of Chemical Physics, 131(19), 194508-1-194508-12.
  • Miracle, D., Harrowell, P. (2009). Noncrystalline compact packings of hard spheres of two sizes: Bipyramids and the geometry of common neighbors. Journal of Chemical Physics, 130(11), 114505-1-114505-6.
  • De Souza, V., Harrowell, P. (2009). Rigidity percolation and the spatial heterogeneity of soft modes in disordered materials. Proceedings of the National Academy of Sciences (PNAS) of the United States of America, 106(36), 15136-15141.
  • Petravic, J., Harrowell, P. (2009). Spatial Dependence of Viscosity and Thermal Conductivity through a Planar Interface. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 113(7), 2059-2065.
  • Hudson, T., Harrowell, P. (2009). Topological characterization of rearrangement events in supercooled water. Gordon Research Conference on the Physics and Chemistry of Liquids, N/A: N/A.
  • De Souza, V., Harrowell, P. (2009). Unconstrained motions, dynamic heterogeneities, and relaxation in disordered solids. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 80(4), 041503-1-041503-11.

2008

  • Ediger, M., Harrowell, P., Yu, L. (2008). Crystal growth kinetics exhibit a fragility-dependent decoupling from viscosity. Journal of Chemical Physics, 128(3), 034709-1-034709-6.
  • Alcaraz, A., Duhau, R., Fernandez, J., Harrowell, P., Miracle, D. (2008). Dense amorphous packing of binary hard sphere mixtures with chemical order: The stability of a solute ordered approximant. Journal of Non-Crystalline Solids, 354(27), 3171-3178. [More Information]
  • Hudson, T., Harrowell, P. (2008). Dense Packings of Hard Spheres of Different Sizes Based on Filling Interstices in Uniform Three-Dimensional Tilings. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 112(27), 8139-8143.
  • Petravic, J., Harrowell, P. (2008). Equilibrium calculations of viscosity and thermal conductivity across a solid-liquid interface using boundary fluctuations. Journal of Chemical Physics, 128(19), 194710/1-194710/12.
  • Widmer-Cooper, A., Perry, H., Harrowell, P., Reichman, D. (2008). Irreversible reorganization in a supercooled liquid originates from localized soft modes. Nature Physics, 4(9), 711-715.
  • Kummerfeld, J., Hudson, T., Harrowell, P. (2008). The Densest Packing of AB Binary Hard-Sphere Homogeneous Compounds across all Size Ratios. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 112(35), 10773-10776.
  • Wootton, A., Picavez, F., Harrowell, P. (2008). The structure and thermodynamic stability of reverse micelles in dry AOT/Alkane mixtures. AIP, 5th International Workshop on Complex Systems, USA: American Institute of Physics (AIP).

2007

  • Hudson, T., Harrowell, P. (2007). A systematic enumeration of local topological relaxation mechanisms in amorphous networks and their efficiency in network relaxation. Journal of Chemical Physics, 126(18), 184502-1-184502-5.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2007). Crystal bridges, tetratic order, and elusive equilibria: The role of structure in lubrication films. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 111(39), 11354-11365.
  • Petravic, J., Harrowell, P. (2007). On the equilibrium calculation of the friction coefficient for liquid slip against a wall. Journal of Chemical Physics, 127(17), 174706-1-174706-6.
  • Widmer-Cooper, A., Harrowell, P. (2007). On the study of collective dynamics in supercooled liquids through the statistics of the isoconfigurational ensemble. Journal of Chemical Physics, 126(15), 154503-1-154503-9.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2007). The structural origin of the complex rheology in thin dodecane films: Three routes to low friction. Tribology International, 40(10-12), 1574-1586.

2006

  • Petravic, J., Harrowell, P. (2006). An equilibrium calculation of the thermal transport coefficients between two planes of arbitrary separation in a condensed phase. Journal of Chemical Physics, 124(4), 044512-1-044512-5.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2006). Crystal bridge formation marks the transition to rigidity in a thin lubrication film. Physical Review Letters, 96(20), 206102-1-206102-4. [More Information]
  • Petravic, J., Harrowell, P. (2006). Crystal-melt coexistence under shear: Interpreting the nonlinear rheology. Journal of Chemical Physics, 125(12), 124502-1-124502-7.
  • Widmer-Cooper, A., Harrowell, P. (2006). Free volume cannot explain the spatial heterogeneity of Debye–Waller factors in a glass-forming binary alloy. Journal of Non-Crystalline Solids, 352(42-49), 5098-5102. [More Information]
  • Harrowell, P. (2006). Glass transitions in plane view. Nature Physics, 2(3), 157-158.
  • Thomas, B., Marks, N., Harrowell, P. (2006). Inversion of defect interactions due to ordering in Sr1-3x/2LaxTiO3 perovskites: An atomistic simulation study. Physical Review B (Condensed Matter and Materials Physics), 74(21), 214109-1-214109-11.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2006). Low friction lubrication between amorphous walls: Unraveling the contributions of surface roughness and in-plane disorder. Journal of Chemical Physics, 125(3), 034703-1-034703-11.
  • Widmer-Cooper, A., Harrowell, P. (2006). Predicting the long-time dynamic heterogeneity in a supercooled liquid on the basis of short-time heterogeneities. Physical Review Letters, 96(18), 185701-1-185701-4.
  • Petravic, J., Harrowell, P. (2006). The boundary fluctuation theory of transport coefficients in the linear-response limit. Journal of Chemical Physics, 124(1), 14103-1-14103-6.
  • Fernandez, J., Harrowell, P. (2006). What stabilizes the intermediate structure of an amorphous alloy? Flow Dynamics: the Second International Conference on Flow Dynamics (AIP 2005), USA: American Institute of Physics (AIP).

2005

  • Petravic, J., Harrowell, P. (2005). Linear response theory for thermal conductivity and viscosity in terms of boundary fluctuations. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 71(6), 061201-1-061201-6.
  • Widmer-Cooper, A., Harrowell, P. (2005). On the relationship between structure and dynamics in a supercooled liquid. Journal of Physics: Condensed Matter, 17(49), 4025-4034.
  • Jabbarzadeh-Khoei, A., Harrowell, P., Tanner, R. (2005). Very low friction state of a dodecane film confined between mica surfaces. Physical Review Letters, 94(12), 126103-126103-4.

2004

  • Fernandez, J., Harrowell, P. (2004). Crystallisation And Local Order In Glass-Forming Binary Mixtures. Slow Dynamics in Complex Systems:3rd International Symposium, USA: American Institute of Physics (AIP).
  • Widmer-Cooper, A., Harrowell, P., Fynewever, H. (2004). How Reproducible Are Dynamic Heterogeneities In A Supercooled Liquid? Physical Review Letters, 93(13), 135701-1-135701-4.
  • Widmer-Cooper, A., Harrowell, P. (2004). How Reproducible Is The Structure Of Dynamic Heterogeneity In Glass Forming Liquids? Slow Dynamics in Complex Systems, New York: American Institute of Physics (AIP).
  • Wootton, A., Harrowell, P. (2004). Inorganic Nanotubes Stabilized By Ion Size Asymmetry: Energy Calculations For Agi Clusters. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 108(24), 8412-8418.
  • Fernandez, J., Harrowell, P. (2004). Ordered Binary Crystal Phases Of Lennard-Jones Mixtures. Journal of Chemical Physics, 120(19), 9222-9232.
  • Fernandez, J., Harrowell, P. (2004). Organization Of Coordination Polyhedra In An Amorphous Binary Alloy. The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, 108(21), 6850-6855.
  • Wootton, A., Harrowell, P. (2004). Polyhedral Ground States In Clusters Of Asymmetric Hard Sphere Ions. Journal of Chemical Physics, 121(15), 7440-7442.

2003

  • Fernandez, J., Harrowell, P. (2003). Crystal phases of a glass-forming Lennard-Jones mixture. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 67(1), 011403-1-011403-7.
  • Butler, S., Harrowell, P. (2003). Simulation of the coexistence os a shearing liquid and a strained crystal. Journal of Chemical Physics, 118(9), 4115-4127.
  • Butler, S., Harrowell, P. (2003). Structure and stability of the interface between a strained crystal and a shearing liquid. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 67(5), 051503-1-051503-7.

2002

  • Gonzalez Padilla, F., Harrowell, P., Fynewever, H. (2002). Elementary excitations and the specific heat peak in a supercooled mixture: simulation studies. Journal of Non-Crystalline Solids, 307(10), 436-441.
  • Butler, S., Harrowell, P. (2002). Factors determining crystal-liquid coexistence under shear. Nature, 415(6875), 1008-1011.
  • Harrowell, P., Gonzalez Padilla, F. (2002). Thermodynamics of a soft disk glass: The role of configurational constraints. Journal of Chemical Physics, 116(10), 4232-4239.

2001

  • Wild, R., Harrowell, P. (2001). Density functional theory of the kinetics of crystallization of a hard sphere suspension: Coupling structure to density. Journal of Chemical Physics, 114, 9059-9068.
  • Harrowell, P., Fynewever, H., Padilla, F. (2001). Origin of the heat capacity peak in a glass-forming mixture. 221st National Meeting American Chemical Society, : Ads & Adea.
  • Wootton, A., Thomas, B., Harrowell, P. (2001). Radiation-induced densification in amorphous silica: A computer simulation study. Journal of Chemical Physics, 115, 3336-3341.

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