522 citations · 5.6k across the 44 of their papers we have counts for
27 papers · 1 filter
Study of the upper-critical dimension of the East model through the breakdown of the Stokes-Einstein relation
Soree Kim, Dayton G. Thorpe, Juan P. Garrahan +2
We investigate the dimensional dependence of dynamical fluctuations related to dynamic heterogeneity in supercooled liquid systems using kinetically constrained models. The -dim…
Applicability of dynamic facilitation theory to binary hard disk systems
Masaharu Isobe, Aaron S. Keys, David Chandler +1
We investigate numerically the applicability of dynamic facilitation (DF) theory for glass-forming binary hard disk systems where supercompression is controlled by pressure. By usi…
Time scales of supercooled water and implications for reversible polyamorphism
David T. Limmer, David Chandler
Deeply supercooled water exhibits complex dynamics with large density fluctuations, ice coarsening and characteristic time scales extending from picoseconds to milliseconds. Here,…
Illusions of phase coexistence: Comments on "Metastable liquid-liquid transition ..." by J. C. Palmer et al., Nature 510, 385 (2014)
David Chandler
The recent paper cited above claims that a molecular simulation of one specific model of supercooled water establishes a stable interface separating two metastable liquid phases, w…
Comment on "Spontaneous liquid-liquid phase separation of water" by T. Yagasaki, M. Matsumoto and H. Tanaka, Phys. Rev. E 89, 020301 (2014)
David T. Limmer, David Chandler
Yagasaki et al. present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct…
Premelting, fluctuations and coarse-graining of water-ice interfaces
David T. Limmer, David Chandler
Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at t…
Using the s-Ensemble to Probe Glasses Formed by Cooling and Aging
Aaron S. Keys, David Chandler, Juan P. Garrahan
From length scale distributions characterizing frozen amorphous domains, we relate the s-ensemble method with standard cooling and aging protocols for forming glass. We show that i…
Comment on "Is there a breakdown of the Stokes-Einstein relation in Kinetically Constrained Models at low temperature?" by O. Blondel and C. Toninelli, arXiv:1307.1651
YounJoon Jung, Soree Kim, Juan P. Garrahan +1
We consider the diffusion constant, D, of a probe particle coupled to the East model, extending previous numerical results for this model to encompass a total of twelve orders of m…
Theory of amorphous ices
David T Limmer, David Chandler
We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-dev…
Corresponding states for mesostructure and dynamics of supercooled water
David T. Limmer, David Chandler
Water famously expands upon freezing, foreshadowed by a negative coefficient of expansion of the liquid at temperatures close to its freezing temperature. These behaviors, and many…
The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water, Part II
David T. Limmer, David Chandler
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibil…
Solvation at Aqueous Metal Electrodes
David T. Limmer, Adam P. Willard, Paul A. Madden +1
We present a study of the solvation properties of model aqueous electrode interfaces. The exposed electrodes we study strongly bind water and have closed packed crystalline surface…
Phase diagram of supercooled water confined to hydrophilic nanopores
David T. Limmer, David Chandler
We present a phase diagram for water confined to cylindrical silica nanopores in terms of pressure, temperature and pore radius. The confining cylindrical wall is hydrophilic and d…
Preparation and relaxation of very stable glassy states of a simulated liquid
Robert L. Jack, Lester O. Hedges, Juan P. Garrahan +1
We prepare metastable glassy states in a model glass-former made of Lennard-Jones particles by sampling biased ensembles of trajectories with low dynamical activity. These trajecto…
Excitations are localized and relaxation is hierarchical in glass-forming liquids
Aaron S. Keys, Lester O. Hedges, Juan P. Garrahan +2
For several atomistic models of glass formers, at conditions below their glassy dynamics onset temperatures, , we use importance sampling of trajectory space to stu…
The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water
David T. Limmer, David Chandler
We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of…
Corresponding States of Structural Glass Formers. II
Yael S. Elmatad, David Chandler, Juan P. Garrahan
The earlier paper of this same title demonstrated a collapse of relaxation data of fragile supercooled glass forming liquids [\textit{J. Phys. Chem. B} \textbf{113}, 5563-5567 (200…
Finite-temperature critical point of a glass transition
Yael S. Elmatad, Robert L. Jack, Juan P. Garrahan +1
We generalize the simplest kinetically constrained model of a glass-forming liquid by softening kinetic constraints, allowing them to be violated with a small finite rate. We demon…
Fluctuations of water near extended hydrophobic and hydrophilic surfaces
Amish J. Patel, David Chandler
We use molecular dynamics simulations of the SPC-E model of liquid water to derive probability distributions for water density fluctuations in probe volumes of different shapes and…
Corresponding States of Structural Glass Formers
Yael S. Elmatad, David Chandler, Juan P. Garrahan
The variation with respect to temperature T of transport properties of 58 fragile structural glass forming liquids (68 data sets in total) are analyzed and shown to exhibit a remar…
Water at an electrochemical interface - a simulation study
Adam P. Willard, Stewart K. Reed, Paul A. Madden +1
The results of molecular dynamics simulations of the properties of water in an aqueous ionic solution close to an interface with a model metallic electrode are described. In the si…
Coarse Grained Modeling of The Interface Between Water and Heterogeneous Surfaces
Adam P. Willard, David Chandler
Using coarse grained models we investigate the behavior of water adjacent to an extended hydrophobic surface peppered with various fractions of hydrophilic patches of different siz…
The Role of Solvent Fluctuations in Hydrophobic Assembly
A. P. Willard, D. Chandler
We use a coarse grained solvent model to study the self assembly of two nano-scale hydrophobic particles in water. We show how solvent degrees of freedom are involved in the proces…
De-coupling of Exchange and Persistence Times in Atomistic Models of Glass Formers
Lester O. Hedges, Lutz Maibaum, David Chandler +1
With molecular dynamics simulations of a fluid mixture of classical particles interacting with pair-wise additive Weeks-Chandler-Andersen potentials, we consider the time series of…