Atomistic pseudopotential calculations of the optical properties of InAs/InP self-assembled quantum dots

We present a comprehensive study of the optical properties of InAs/InP self-assembled quantum dots (QDs) using an empirical pseudopotential method and configuration interaction treatment of the many-particle effects. The results are compared to those of InAs/GaAs QDs. The main results are: (i) The alignment of emission lines of neutral exciton, charged exciton and biexciton in InAs/InP QDs is quite different from that in InAs/GaAs QDs. (ii) The hidden correlation in InAs/InP QDs is 0.7 - 0.9 meV, smaller than that in InAs/GaAs QDs. (iii) The radiative lifetimes of neutral exciton, charged exciton and biexciton in InAs/InP QDs are about twice longer than those in InAs/GaAs QDs. (v) The phase diagrams of few electrons and holes in InAs/InP QDs differ greatly from those in InAs/GaAs QDs. The filling orders of electrons and holes are shown to obey the Hund's rule and Aufbau principle, and therefore the photoluminescence spectra of highly charged excitons are very different from those of InAs/GaAs QDs.Comment: 10 pages, 11 figure

Laboratory photo-chemistry of covalently bonded fluorene clusters: observation of an interesting PAH bowl-forming mechanism

The fullerene C$_{60}$, one of the largest molecules identified in the interstellar medium (ISM), has been proposed to form top-down through the photo-chemical processing of large (more than 60 C-atoms) polycyclic aromatic hydrocarbon (PAH) molecules. In this article, we focus on the opposite process, investigating the possibility that fullerenes form from small PAHs, in which bowl-forming plays a central role. We combine laboratory experiments and quantum chemical calculations to study the formation of larger PAHs from charged fluorene clusters. The experiments show that with visible laser irradiation, the fluorene dimer cation - [C$_{13}$H$_{9}$$-$C$_{13}$H$_{9}$]$^+$ - and the fluorene trimer cation - [C$_{13}$H$_{9}$$-$C$_{13}$H$_{8}$$-$C$_{13}$H$_{9}$]$^+$ - undergo photo-dehydrogenation and photo-isomerization resulting in bowl structured aromatic cluster-ions, C$_{26}$H$_{12}$$^+$ and C$_{39}$H$_{20}$$^+$, respectively. To study the details of this chemical process, we employ quantum chemistry that allows us to determine the structures of the newly formed cluster-ions, to calculate the hydrogen loss dissociation energies, and to derive the underlying reaction pathways. These results demonstrate that smaller PAH clusters (with less than 60 C-atoms) can convert to larger bowled geometries that might act as building blocks for fullerenes, as the bowl-forming mechanism greatly facilitates the conversion from dehydrogenated PAHs to cages. Moreover, the bowl-forming induces a permanent dipole moment that - in principle - allows to search for such species using radio astronomy.Comment: 8 pages, 7 figures, accepte

Ethical and professional issues: Reflections on course evolution, innovation and student engagement.

At INSPIRE 2013 we outlined our efforts to develop a core first year undergraduate course entitled ‘Computing Technology in Society’. A primary course objective is to demonstrate the potential impact that ever more complex, interconnected digital systems may have on the both the individual and on society in general. This provides the backdrop against which we endeavour to foster an ethos in which students are encouraged to establish a personal ethical position in relation to the application and deployment of digital systems. Here we reflect on further progress in developing this course with particular reference to ongoing curriculum development, student evaluation and, most crucially, student engagement. Additionally, we outline developments relating to our integration of technologies into the educational experience. We draw on our experience with the CTIS course to consider broader ramifications of technology infusion, particularly in relation to increased VLE integration and the streaming/recording of lectures.n/

Iteration-complexity of a proximal augmented Lagrangian method for solving nonconvex composite optimization problems with nonlinear convex constraints

This paper proposes and analyzes a proximal augmented Lagrangian (NL-IAPIAL) method for solving smooth nonconvex composite optimization problems with nonlinear $\cal K$-convex constraints, i.e., the constraints are convex with respect to the order given by a closed convex cone $\cal K$. Each NL-IAPIAL iteration consists of inexactly solving a proximal augmented Lagrangian subproblem by an accelerated composite gradient (ACG) method followed by a Lagrange multiplier update. Under some mild assumptions, it is shown that NL-IAPIAL generates an approximate stationary solution of the constrained problem in ${\cal O}(\log(1/\rho)/\rho^{3})$ inner iterations, where $\rho>0$ is a given tolerance. Numerical experiments are also given to illustrate the computational efficiency of the proposed method

A Long Cytoplasmic Loop Governs the Sensitivity of the Anti-viral Host Protein SERINC5 to HIV-1 Nef

We recently identified the multipass transmembrane protein SERINC5 as an antiviral protein that can potently inhibit HIV-1 infectivity and is counteracted by HIV-1 Nef. We now report that the anti-HIV-1 activity, but not the sensitivity to Nef, is conserved among vertebrate SERINC5 proteins. However, a Nef-resistant SERINC5 became Nef sensitive when its intracellular loop 4 (ICL4) was replaced by that of Nef-sensitive human SERINC5. Conversely, human SERINC5 became resistant to Nef when its ICL4 was replaced by that of a Nef-resistant SERINC5. In general, ICL4 regions from SERINCs that exhibited resistance to a given Nef conferred resistance to the same Nef when transferred to a sensitive SERINC, and vice versa. Our results establish that human SERINC5 can be modified to restrict HIV-1 infectivity even in the presence of Nef