Fermi surface renormalization and quantum confinement in the two-coupled chains model

We address the problem of the Fermi surface renormalization and the quantum confinement regime (QCR) in the two coupled chains model(TCCM) of spinless fermions. We perform a self-consistent calculation of the renormalization group(RG) flows of the renormalized TCCM couplings and quasiparticle weight. On top of that we take explicitly into account the renormalization of the Fermi surface. The flow of the difference of the renormalized Fermi wave vectors associated with the bonding and antibonding bands has a dramatic effect on the single particle spectrum. Although the quasiparticle amplitude is nullified already at intermediate coupling the QCR is only observed at strong coupling. The state associated with this regime has a charge gap and it is not a Luttinger liquid. In contrast, the Fermi liquid regime is stabilized by the umklapp "$g_2$--like" interactions at very weak coupling regime.Comment: 9 pages, 9 figure

Vibrationally coupled electron transport in single-molecule junctions: The importance of electron-hole pair creation processes

Vibrationally coupled electron transport through single-molecule junctions is considered. Reviewing our recent theoretical work, we show that electron-hole pair creation processes represent the key to understand the vibrational excitation characteristic of a single-molecule contact. Moreover, these processes can lead to a number of interesting transport phenomena such as, for example, negative differential resistance, rectification, mode-selective vibrational excitation and a pronounced temperature dependence of the electrical current. Thus, electron-hole pair creation processes are crucial to elucidate the basic mechanisms of vibrationally coupled electron transport through a single-molecule contact, despite the fact that these processes do not directly contribute to the electrical current that is flowing through the junction.Comment: 13 article pages, 13 figures; review article submitted to PSS (b) for the special issue 'Quantum transport at the molecular scale

Relaxation dynamics of maximally clustered networks

We study the relaxation dynamics of fully clustered networks (maximal number of triangles) to an unclustered state under two different edge dynamics---the double-edge swap, corresponding to degree-preserving randomization of the configuration model, and single edge replacement, corresponding to full randomization of the Erd\H{o}s--R\'enyi random graph. We derive expressions for the time evolution of the degree distribution, edge multiplicity distribution and clustering coefficient. We show that under both dynamics networks undergo a continuous phase transition in which a giant connected component is formed. We calculate the position of the phase transition analytically using the Erd\H{o}s--R\'enyi phenomenology

Vibrationally Induced Decoherence in Single-Molecule Junctions

We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic processes lead, in general, to a quenching of quantum interference effects. This quenching is more pronounced for increasing bias voltages and levels of vibrational excitation. As a result of this vibrationally induced decoherence, vibrational signatures in the transport characteristics of a molecular contact may strongly deviate from a simple Franck-Condon picture. This includes signatures in both the resonant and the non-resonant transport regime. Moreover, it is shown that local cooling by electron-hole pair creation processes can influence the transport characteristics profoundly, giving rise to a significant temperature dependence of the electrical current.Comment: 53 pages, 18 figures, revised version (including more data

Dissipative time-dependent quantum transport theory: quantum interference and phonon induced decoherence dynamics

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different coupling to the leads. We also found that the quantum interference can be suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect

Rapidity-Dependent Jet Vetoes

Jet vetoes are a prominent part of the signal selection in various analyses at the LHC. We discuss jet vetoes for which the transverse momentum of a jet is weighted by a smooth function of the jet rapidity. With a suitable choice of the rapidity-weighting function, such jet-veto variables can be factorized and resummed allowing for precise theory predictions. They thus provide a complementary way to divide phase space into exclusive jet bins. In particular, they provide a natural and theoretically clean way to implement a tight veto on central jets with the veto constraint getting looser for jets at increasingly forward rapidities. We mainly focus our discussion on the 0-jet case in color-singlet processes, using Higgs production through gluon fusion as a concrete example. For one of our jet-veto variables we compare the resummed theory prediction at NLL'+NLO with the recent differential cross section measurement by the ATLAS experiment in the $H\to\gamma\gamma$ channel, finding good agreement. We also propose that these jet-veto variables can be measured and tested against theory predictions in other SM processes, such as Drell-Yan, diphoton, and weak diboson production.Comment: 17 pages, 8 figure

The isothermal fatigue behavior of a unidirectional SiC/Ti composite and the Ti alloy matrix

The high temperature fatigue behavior of a metal matrix composite (MMC) consisting of Ti-15V-3Cr-3Al-3Sn (Ti-15-3) matrix reinforced by 33 vol percent of continuous unidirectional SiC fibers was experimentally and analytically evaluated. Isothermal MMC fatigue tests with constant amplitude loading parallel to the fiber direction were performed at 300 and 550 C. Comparative fatigue tests of the Ti-15-3 matrix alloy were also conducted. Composite fatigue behavior and the in-situ stress state of the fiber and matrix were analyzed with a micromechanical model, the Concentric Cylinder Model (CCM). The cyclic stress-strain response of the composite was stable at 300 C. However, an increase in cyclic mean strain foreshortened MMC fatigue life at high strain ranges at 550 C. Fatigue tests of the matrix alloy and CCM analyses indicated this response was associated with stress relaxation of the matrix in the composite

Excited state gradients within a polarizable QM/MM formulation

Multiscale approaches that partition the system into an active site (where the electronic process under study occurs) and a remaining region, the environment, have proven to be good strategies for the computation of electronic excitations in complex systems. In this work the implementation of a polarizable QM/MM scheme for the computation of excited state gradients is presented and are applied to a test case