MD Simulation Publications

Chain flexibility and the segmental dynamics of polymers
D. Fragiadakis and C.M. Roland J. Phys. Chem. B 123, 5930 (2019).

Stability limits of pressure densifed polycarbonate glass
A.P. Holt, D. Fragiadakis, J.A. Wollmershauser, B.N. Feigelson, M. Tyagi, and C.M. Roland Macromolecules 52, 4139 (2019).

Intermolecular distance and density scaling of dynamics in molecular liquids
D. Fragiadakis and C.M. Roland J. Chem. Phys. 150, 204501 (2019).

Cooperativity of short-time dynamics revisited
D. Fragiadakis and C.M. Roland J. Non-Cryst. Solids 500, 18 (2018).

Dynamic correlation under isochronal conditions
C.M. Roland and D. Fragiadakis in Nonlinear Dielectric Spectroscopy (R. Richert, Ed.) Spinger (2018).

The α and Johari-Goldstein relaxations in 1,4-polybutadiene: Breakdown of isochronal superpositioning
T.C. Ransom, D. Fragiadakis, and C.M. Roland Macromolecules 51, 4694 (2018).

A test for the existence of isomorphs in glass-forming materials
D. Fragiadakis and C.M. Roland J. Chem. Phys. 147, 084508 (2017).

Participation in the Johari-Goldstein process: molecular liquids versus polymers
D. Fragiadakis and C.M. Roland Macromolecules 50, 4039 (2017).

Role of structure in the alpha and beta dynamics of a simple glass-forming liquid
D. Fragiadakis and C.M. Roland Phys. Rev. E 95, 022607 (2017).

Rotational Dynamics of Simple Asymmetric Molecules
D. Fragiadakis, C.M. Roland Phys. Rev. E 91, 022310 (2015).

Dynamic Correlation Length Scales under Isochronal Conditions
R. Casalini, D. Fragiadakis, C.M. Roland J. Chem. Phys. 142, 064504 (2015).

Dynamic Correlations and Heterogeneity in the Primary and Secondary Relaxations of a Model Molecular Liquid
D. Fragiadakis, C.M. Roland Phys. Rev. E 89, 052304 (2014).

Characteristics of the Johari-Goldstein Process in Rigid Asymmetric Molecules,
D. Fragiadakis, C.M. Roland Phys. Rev. E 88, 042307 (2013).

Are Polar Liquids Less Simple?,
D. Fragiadakis; C.M. Roland J. Chem. Phys. 138, 12A502 (2013).

Molecular Dynamics Simulations of the Johari-Goldstein Relaxation in a Molecular Liquid,
D. Fragiadakis; C.M. Roland, Phys. Rev. E 86, 020501 (2012).

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Heterogeneous slow dynamics and the interaction potential of glass-forming liquids,
D. Coslovich; C.M. Roland, J. Non-Crystalline Solids 357, 397 (2011).

Correlation of nonexponentiality with dynamic heterogeneity from four-point dynamic susceptibility chi(4)(t) and its approximation chi(T)(t),
C.M. Roland; D. Fragiadakis; D. Coslovich; S. Capaccioli; K.L. Ngai, J. Chem. Phys. 133, 124507 (2010). [doi]

Density scaling in viscous liquids: From relaxation times to four-point susceptibilities,
D. Coslovich; C.M. Roland, J. Chem. Phys. 131, 151103 (2009). [doi]

Pressure-energy correlations and thermodynamic scaling in viscous Lennard-Jones liquids,
D. Coslovich; C.M. Roland, J. Chem. Phys. 130, 014508 (2009). [doi]

Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids,
D. Coslovich; C.M. Roland, J. Phys. Chem. B 112, 1329 (2008). [doi]

An Interpretation of Quasi-elastic Neutron-scattering and Molecular-dynamics Simulation Results on the Glass-transition,
K.L. Ngai; C.M. Roland; G.N. Greaves, J. Non-Cryst. Solids 182, 172 (1995).

High-frequency Relaxation of O-terphenyl,
C.M. Roland; K.L. Ngai; L.J. Lewis, J. Chem. Phys. 103, 4632 (1995).