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The glass transition temperature of thin films: A molecular dynamics study for a bead-spring model
Molecular dynamics simulation of the capillary leveling of viscoelastic polymer films
A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution
SPECIAL TOPIC: DYNAMICS OF POLYMER MATERIALS IN THIN FILMS AND RELATED GEOMETRIES
Preface
Preface: Special Topic on Dynamics of Polymer Materials in Thin Films and Related Geometries
J. Chem. Phys. 146, 203001 (2017)
https://doi.org/10.1063/1.4983279
Focus Articles
Articles
Glassy dynamics of polymethylphenylsiloxane in one- and two-dimensional nanometric confinement—A comparison
J. Chem. Phys. 146, 203302 (2017)
https://doi.org/10.1063/1.4974767
Reduced-mobility layers with high internal mobility in poly(ethylene oxide)–silica nanocomposites
J. Chem. Phys. 146, 203303 (2017)
https://doi.org/10.1063/1.4974768
Unexpected impact of irreversible adsorption on thermal expansion: Adsorbed layers are not that dead
J. Chem. Phys. 146, 203304 (2017)
https://doi.org/10.1063/1.4974834
Interfacial interaction and glassy dynamics in stacked thin films of poly(methyl methacrylate)
J. Chem. Phys. 146, 203305 (2017)
https://doi.org/10.1063/1.4974835
Description of poly(ethylenepropylene) confined in nanopores by a modified Rouse model
J. Chem. Phys. 146, 203309 (2017)
https://doi.org/10.1063/1.4975977
Dynamical heterogeneity in a vapor-deposited polymer glass
J. Chem. Phys. 146, 203310 (2017)
https://doi.org/10.1063/1.4976542
Side-group size effects on interfaces and glass formation in supported polymer thin films
J. Chem. Phys. 146, 203311 (2017)
https://doi.org/10.1063/1.4976702
Complex nonequilibrium dynamics of stacked polystyrene films deep in the glassy state
J. Chem. Phys. 146, 203312 (2017)
https://doi.org/10.1063/1.4977207
Depth-resolved local conformation and thermal relaxation of polystyrene near substrate interface
J. Chem. Phys. 146, 203313 (2017)
https://doi.org/10.1063/1.4976523
Interfacial and topological effects on the glass transition in free-standing polystyrene films
J. Chem. Phys. 146, 203314 (2017)
https://doi.org/10.1063/1.4977042
Dynamics of poly(vinyl methyl ketone) thin films studied by local dielectric spectroscopy
J. Chem. Phys. 146, 203315 (2017)
https://doi.org/10.1063/1.4977785
Limited surface mobility inhibits stable glass formation for 2-ethyl-1-hexanol
J. Chem. Phys. 146, 203317 (2017)
https://doi.org/10.1063/1.4977787
Network confinement and heterogeneity slows nanoparticle diffusion in polymer gels
J. Chem. Phys. 146, 203318 (2017)
https://doi.org/10.1063/1.4978054
How thermal stress alters the confinement of polymers vitrificated in nanopores
J. Chem. Phys. 146, 203319 (2017)
https://doi.org/10.1063/1.4978230
Complex dynamics of capillary imbibition of poly(ethylene oxide) melts in nanoporous alumina
J. Chem. Phys. 146, 203320 (2017)
https://doi.org/10.1063/1.4978298
The glass transition temperature of thin films: A molecular dynamics study for a bead-spring model
J. Chem. Phys. 146, 203322 (2017)
https://doi.org/10.1063/1.4977521
Surface transport mechanisms in molecular glasses probed by the exposure of nano-particles
J. Chem. Phys. 146, 203324 (2017)
https://doi.org/10.1063/1.4978667
Direction-dependent elastic properties and phononic behavior of PMMA/BaTiO3 nanocomposite thin films
J. Chem. Phys. 146, 203325 (2017)
https://doi.org/10.1063/1.4978675
Influence of bidisperse self-assembled monolayer structure on the slip boundary condition of thin polymer films
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 146, 203326 (2017)
https://doi.org/10.1063/1.4978676
Molecular dynamics simulation of the capillary leveling of viscoelastic polymer films
J. Chem. Phys. 146, 203327 (2017)
https://doi.org/10.1063/1.4978938
The glass transition and enthalpy recovery of a single polystyrene ultrathin film using Flash DSC
J. Chem. Phys. 146, 203329 (2017)
https://doi.org/10.1063/1.4979126
Polymer and spherical nanoparticle diffusion in nanocomposites
J. Chem. Phys. 146, 203331 (2017)
https://doi.org/10.1063/1.4981258
Grafted polymer chains suppress nanoparticle diffusion in athermal polymer melts
J. Chem. Phys. 146, 203332 (2017)
https://doi.org/10.1063/1.4982216
ARTICLES
Theoretical Methods and Algorithms
Efficient evaluation of three-center Coulomb integrals
J. Chem. Phys. 146, 204101 (2017)
https://doi.org/10.1063/1.4983393
Anomalous barrier escape: The roles of noise distribution and correlation
J. Chem. Phys. 146, 204103 (2017)
https://doi.org/10.1063/1.4983651
Descriptors for predicting the lattice constant of body centered cubic crystal
J. Chem. Phys. 146, 204104 (2017)
https://doi.org/10.1063/1.4984047
Shape and energy consistent pseudopotentials for correlated electron systems
J. Chem. Phys. 146, 204107 (2017)
https://doi.org/10.1063/1.4984046
A theoretical study of the dissociative recombination of SH+ with electrons through the 2Π states of SH
J. Chem. Phys. 146, 204109 (2017)
https://doi.org/10.1063/1.4983690
Applying Bogomolny’s quantization method to generic classical systems
J. Chem. Phys. 146, 204111 (2017)
https://doi.org/10.1063/1.4983748
Atoms, Molecules, and Clusters
The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2–AuCl
J. Chem. Phys. 146, 204302 (2017)
https://doi.org/10.1063/1.4983042
The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations
J. Chem. Phys. 146, 204303 (2017)
https://doi.org/10.1063/1.4983726
Angular distributions for the inelastic scattering of NO() with O2()
J. Chem. Phys. 146, 204304 (2017)
https://doi.org/10.1063/1.4983706
Double photoionization of tropone and cyclooctatetraene
J. Chem. Phys. 146, 204306 (2017)
https://doi.org/10.1063/1.4984074
Dissociation cross sections for N2 + N → 3N and O2 + O → 3O using the QCT method
J. Chem. Phys. 146, 204307 (2017)
https://doi.org/10.1063/1.4983813
Liquids, Glasses, and Crystals
Resolving dispersion and induction components for polarisable molecular simulations of ionic liquids
J. Chem. Phys. 146, 204501 (2017)
https://doi.org/10.1063/1.4983687
Irradiation- vs. vitrification-induced disordering: The case of 𝜶-quartz and glassy silica
J. Chem. Phys. 146, 204502 (2017)
https://doi.org/10.1063/1.4982944
First principles centroid molecular dynamics simulation of hydride in nanoporous C12A7:H−
J. Chem. Phys. 146, 204503 (2017)
https://doi.org/10.1063/1.4983707
Surfaces, Interfaces, and Materials
Reactivity of O2 on Pd/Ru(0001) and PdRu/Ru(0001) surface alloys
J. Chem. Phys. 146, 204701 (2017)
https://doi.org/10.1063/1.4983994
Adsorption of atmospheric gases on cementite surfaces
J. Chem. Phys. 146, 204703 (2017)
https://doi.org/10.1063/1.4984036
Polymers and Soft Matter
First-principle simulations of electronic structure in semicrystalline polyethylene
J. Chem. Phys. 146, 204901 (2017)
https://doi.org/10.1063/1.4983650
Asymmetric osmotic water permeation through a vesicle membrane
J. Chem. Phys. 146, 204902 (2017)
https://doi.org/10.1063/1.4983749
Dewetting and spreading transitions for active matter on random pinning substrates
J. Chem. Phys. 146, 204903 (2017)
https://doi.org/10.1063/1.4983344
An empirical correction for moderate multiple scattering in super-heterodyne light scattering
J. Chem. Phys. 146, 204904 (2017)
https://doi.org/10.1063/1.4983688
Biological Molecules and Networks
A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution
J. Chem. Phys. 146, 205101 (2017)
https://doi.org/10.1063/1.4983485
LETTERS TO THE EDITOR
Errata
Erratum: “Gas phase hyper-Rayleigh scattering measurements” [J. Chem. Phys. 137, 044312 (2012)]
J. Chem. Phys. 146, 209903 (2017)
https://doi.org/10.1063/1.4984827
