Mechanistic model for the dielectric spectrum of a simple dielectric material

References

• S.R. de Groot and P. Mazur, Non-Equilibrium Thermodynamics, Dover Publications, New York, 1984.
   Google Scholar
• J.P. Hansen and I.R. McDonald, Theory of Simple Liquids, Academic Press, Amsterdam, 2006.
   Google Scholar
• V. Ballenegger and J.P. Hansen, Dielectric permittivity profiles of confined polar fluids, J. Chem. Phys. 122 (2005), p. 114711. doi: 10.1063/1.1845431
   PubMed Web of Science ®Google Scholar
• P.J.W. Debye, Polar Molecules, The Chemical Catalog Company, Inc., New York, 1929.
   Google Scholar
• G.P. Johari and M. Goldstein, Viscous liquids and the glass transition. II. Secondary relaxations in glasses of rigid molecules, J. Chem. Phys. 53 (1970), p. 2372. doi: 10.1063/1.1674335
   Web of Science ®Google Scholar
• G.P. Johari and M. Goldstein, Viscous liquids and the glass transition. III. Secondary relaxations in aliphatic alcohols and other nonrigid molecules, J. Chem. Phys. 55 (1971), p. 4245. doi: 10.1063/1.1676742
   Web of Science ®Google Scholar
• F. Kremer and A. Schönhals (eds.), Broadband Dielectric Spectroscopy, Springer, Berlin, 2003.
   Google Scholar
• J.C. Dyre and N.B. Olsen, Minimal model for beta relaxation in viscous liquids, Phys. Rev. Lett. 91 (2003), p. 155703. doi: 10.1103/PhysRevLett.91.155703
   PubMed Web of Science ®Google Scholar
• C.M. Roland and R. Casalini, Dynamics of Poly(cyclohexyl methacrylate): Neat and in blends with Poly(alpha-methylstyrene), Macromolecules 40 (2007), p. 3631. doi: 10.1021/ma0702849
   Web of Science ®Google Scholar
• C.M. Roland, Viscoelastic Behavior of Rubbery Materials, Oxford University Press, Oxford, 2011.
   Google Scholar
• B. Jakobsen, K. Niss, and N.B. Olsen, Dielectric and shear mechanical alpha and beta relaxations in seven glass-forming liquids, J. Chem. Phys. 123 (2005), p. 234511. doi: 10.1063/1.2136887
   PubMed Web of Science ®Google Scholar
• G. Floudas, M. Paluch, A. Grzybowski, and K.L. Ngai, Molecular Dynamics of Glass-Forming Systems, Springer, Heidelberg, 2011.
   Google Scholar
• J.S. Hansen, A. Kisliuk, A.P. Sokolov, and C. Gainaru, Identification of structural relaxation in the dielectric response of water, Phys. Rev. Lett. 116 (2016), p. 237601. doi: 10.1103/PhysRevLett.116.237601
   PubMed Web of Science ®Google Scholar
• J.G. Kirkwood, The dielectric polarization of polar liquids, J. Chem. Phys. 7 (1939), pp. 911–919. doi: 10.1063/1.1750343
   Web of Science ®Google Scholar
• P.A. Bopp, A.A. Kornyshev, and G. Sutmann, Frequency and wave-vector dependent dielectric function of water: Collective modes and relaxation spectra, J. Chem. Phys. 109 (1998), p. 1939. doi: 10.1063/1.476884
   Web of Science ®Google Scholar
• J.S Hansen, Reduced dielectric response in spatially varying electric fields, J. Chem. Phys. 143 (2015), p. 194507. doi: 10.1063/1.4935825
   PubMed Web of Science ®Google Scholar
• J.M.O. de Zárate and J.V. Sengers, Hydrodynamic Fluctuations, Elsevier, Amsterdam, 2006.
   Google Scholar
• D.M.F. Edwards, P.A. Madden, and I.R. McDonald, A computer simulation study of the dielectric properties of a model of methyl cyanide, Mol. Phys. 51 (1984), p. 1141. doi: 10.1080/00268978400100731
   Web of Science ®Google Scholar
• G.D. Smith, O. Borodin, and W. Paul, A molecular-dynamics simulation study of dielectric relaxation in a 1,4.polybutadiene melt, J. Chem. Phys. 117 (2002), p. 10350. doi: 10.1063/1.1518684
   Web of Science ®Google Scholar
• D.A. McQuarrie, Statistical Mechanics, Harper and Row, New York, 1976.
   Google Scholar
• M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids, Clarendon Press, New York, 1989.
   Google Scholar
• D. Wolf, P. Keblinski, S.R. Phillpot, and J. Eggebrecht, Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation, J. Chem. Phys. 110 (1999), p. 8254. doi: 10.1063/1.478738
   Web of Science ®Google Scholar
• C.J. Fennell and J.D. Gezelter, Is the Ewald summation still necessary? Pairwise alternatives to the accecpted standard for long-ranged electrostatics, J. Chem. Phys. 124 (2006), p. 234104. doi: 10.1063/1.2206581
   PubMed Web of Science ®Google Scholar
• J.S. Hansen, T.B. Schrøder, and J.C. Dyre, Simplistic Coulomb forces in Molecular Dynamics: Comparing the Wolf and Shifted-Force Approximations, J. Phys. Chem. B 116 (2012), p. 5738. doi: 10.1021/jp300750g
   PubMed Web of Science ®Google Scholar
• N.P. Bailey, T.S. Ingebrigtsen, J.S. Hansen, A.A. Veldhorst, L. Bøhling, C.A. Lemarchand, A.E. Olsen, A.K. Bacher, L. Costigliola, U.R. Pedersen, H. Larsen, J.C. Dyre, and T.B. Schrøder, RUMD: A general purpose molecular dynamics package optimized to utilize GPU hardware down to a few thousand particle, SciPost Phys. 3 (2017), p. 038. doi: 10.21468/SciPostPhys.3.6.038
   Web of Science ®Google Scholar
• J.S. Hansen, Multiscale dipole relaxation in dielectric materials, Mol. Sim. 42 (2016), p. 1364. doi: 10.1080/08927022.2015.1114177
   Web of Science ®Google Scholar