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J. D. Eaves

Publications and source records attributed to J. D. Eaves.

3 recordsLinked to original sources

Electron dynamics mediate the water-carbon π bond

The intermolecular interaction between a water molecule and the electrons in aromatic π systems--the water-π bond--lies at the heart of many chemical processes, yet its properties remain challenging to measure experimentally and model computationally. Infrared spectroscopy of pyrene anions hydrated by a single water molecule reveals vibrational and electronic motions that are often hidden in condensed phase measurements. Results from new machine-learning approaches to potentials and dipole moments show that the electron dynamics of the aromatic π cloud quench signals from some of water's vibrations and amplify others. The observed interplay between electronic and vibrational motions has general implications for modeling intermolecular interactions between water and aromatic systems in clusters, solutions, and at interfaces.

physics.chem-ph

Reentrance in an active spin glass model

Active matter, whose motion is driven, and glasses, whose dynamics are arrested, seem to lie at opposite ends of the spectrum in nonequilibrium systems. In spite of this, both classes of systems exhibit a multitude of stable states that are dynamically isolated from one another. While this defining characteristic is held in common, its origin is different in each case: for active systems, the irreversible driving forces can produce dynamically frozen states, while glassy systems vitrify when they get kinetically trapped on a rugged free energy landscape. In a mixture of active and glassy particles, the interplay between these two tendencies leads to novel phenomenology. We demonstrate this with a spin glass model that we generalize to include an active component. In the absence of a ferromagnetic bias, we find that the spin glass transition temperature depresses with the active fraction, consistent with what has been observed for fully active glassy systems. When a bias does exist, however, a new type of transition becomes possible: the system can be cooled out of the glassy phase. This unusual phenomenon, known as reentrance, has been observed before in a limited number of colloidal and micellar systems, but it has not yet been observed in active glass mixtures. Using low order perturbation theory, we study the origin of this reentrance and, based on the physical picture that results, suggest how our predictions might be measured experimentally.

cond-mat.stat-mech

Exciton Dynamics in Carbon Nanotubes: From the Luttinger Liquid to Harmonic Oscillators

We show that the absorption spectrum in semiconducting nanotubes can be determined using the bosonization technique combined with mean-field theory and a harmonic approximation. Our results indicate that a multiple band semiconducting nanotube reduces to a system of weakly coupled harmonic oscillators. Additionally, the quasiparticle nature of the electron and hole that comprise an optical exciton emerges naturally from the bosonized model.

cond-mat.mes-hall