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Prediction Of Entropy And Dynamic Properties Of Water Below The Homogeneous Nucleation Temperature, Francis Starr, C. Angell, H. Stanley
Prediction Of Entropy And Dynamic Properties Of Water Below The Homogeneous Nucleation Temperature, Francis Starr, C. Angell, H. Stanley
Francis Starr
The behavior of thermodynamic and dynamic properties of liquid water at atmospheric pressure in the temperature range between the lower limit of supercooling (TH ≈ 235 K) and the onset of the glassy state at Tg has been the focus of much research, and many questions remain about the properties of water in this region. Since direct measurements on water in this temperature range remain largely infeasible, we use existing experimental measurements of the entropy, specific heat, and enthalpy outside this range to construct a possible form of the en- tropy in the “difficult-to-probe” region. Assuming that the entropy is …
Dynamics Of Deeply Supercooled Water, Francis W. Starr, C. A. Angell, E. La Nave, S. Sastry, A. Scala, F. Sciortino, H. E. Stanley
Dynamics Of Deeply Supercooled Water, Francis W. Starr, C. A. Angell, E. La Nave, S. Sastry, A. Scala, F. Sciortino, H. E. Stanley
Francis Starr
We review recent results on the connection between thermodynamics and dynamics in a model for water. We verify the Adam–Gibbs relation between entropy and dynamic properties using computer simulations, which allow direct access to the relevant properties. We combine experimental measurements of entropy with the Adam–Gibbs hypothesis to predict dynamic properties in deeply supercooled states, which are difficult to access experimentally. We find evidence suggesting that the glass transition temperature of water may be significantly higher than previously reported, but is still consistent with recent measurements. Finally, we discuss the hypothesis that the dynamical behavior of deeply supercooled water undergoes …
Stringlike Correlated Motion In The Dynamics Of Supercooled Polymer Melts, M. Aichele, Y. Gebremichael, Francis Starr, J. Baschnagel, S. C. Glotzer
Stringlike Correlated Motion In The Dynamics Of Supercooled Polymer Melts, M. Aichele, Y. Gebremichael, Francis Starr, J. Baschnagel, S. C. Glotzer
Francis Starr
No abstract provided.
Spatially Heterogeneous Dynamics Investigated Via A Time-Dependent Four-Point Density Correlation Function, N. Lacevic, T. B. Schroder, Francis W. Starr, S. C. Glotzer
Spatially Heterogeneous Dynamics Investigated Via A Time-Dependent Four-Point Density Correlation Function, N. Lacevic, T. B. Schroder, Francis W. Starr, S. C. Glotzer
Francis Starr
No abstract provided.
Origin Of Particle Clustering In A Simulated Polymer Nanocomposite And Its Impact On Rheology, Francis W. Starr, J. F. Douglas, S. C. Glotzer
Origin Of Particle Clustering In A Simulated Polymer Nanocomposite And Its Impact On Rheology, Francis W. Starr, J. F. Douglas, S. C. Glotzer
Francis Starr
Many nanoparticles have short-range interactions relative to their size, and these interactions tend to be ‘‘patchy’’ since the interatomic spacing is comparable to the nanoparticle size. For a dispersion of such particles, it is not a priori obvious what mechanism will control the clustering of the nanoparticles, and how the clustering will be affected by tuning various control parameters. To gain insight into these questions, we perform molecular dynamics simulations of polyhedral nanoparticles in a dense bead–spring polymer melt under both quiescent and steady shear conditions. We explore the mechanism that controls nanoparticle clustering and find that the crossover from …