Electronic structure of and Quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach

We analyze the electronic structure of group III-V semiconductors obtained within full potential linearized augmented plane wave (FP-LAPW) method and arrive at a realistic and minimal tight-binding model, parameterized to provide an accurate description of both valence and conduction bands. It is shown that cation sp3 - anion sp3d5 basis along with the next nearest neighbor model for hopping interactions is sufficient to describe the electronic structure of these systems over a wide energy range, obviating the use of any fictitious s* orbital, employed previously. Similar analyses were also performed for the II-VI semiconductors, using the more accurate FP-LAPW method compared to previous approaches, in order to enhance reliability of the parameter values. Using these parameters, we calculate the electronic structure of III-V and II-VI nanocrystals in real space with sizes ranging upto about 7 nm in diameter, establishing a quantitatively accurate description of the band-gap variation with sizes for the various nanocrystals by comparing with available experimental results from the literature.Comment: 28 pages, 8 figures, Accepted for publication in Phys. Rev.

Disorder Potentials near Lithographically Fabricated Atom Chips

We show that previously observed large disorder potentials in magnetic microtraps for neutral atoms are reduced by about two orders of magnitude when using atom chips with lithographically fabricated high quality gold layers. Using one dimensional Bose-Einstein condensates, we probe the remaining magnetic field variations at surface distances down to a few microns. Measurements on a 100 um wide wire imply that residual variations of the current flow result from local properties of the wire.Comment: submitted on September 24th, 200

Noise-induced transport in the Aubry-Andr\'e-Harper model

We study quantum transport in a quasiperiodic Aubry-Andr\'e-Harper (AAH) model induced by the coupling of the system to a Markovian heat bath. We find that coupling the heat bath locally does not affect transport in the delocalized and critical phases, while it induces logarithmic transport in the localized phase. Increasing the number of coupled sites at the central region introduces a transient diffusive regime, which crosses over to logarithmic transport in the localized phase and in the delocalized regime to ballistic transport. On the other hand, when the heat bath is coupled to equally spaced sites of the system, we observe a crossover from ballistic and logarithmic transport to diffusion in the delocalized and localized regimes, respectively. We propose a classical master equation, which captures our numerical observations for both coupling configurations on a qualitative level and for some parameters, even on a quantitative level. Using the classical picture, we show that the crossover to diffusion occurs at a time that increases exponentially with the spacing between the coupled sites, and the resulting diffusion constant decreases exponentially with the spacing.Comment: 11 pages, 7 fig

Temporal fluctuations of correlators in integrable and chaotic quantum systems

We provide bounds on temporal fluctuations around the infinite-time average of out-of-time-ordered and time-ordered correlators of many-body quantum systems without energy gap degeneracies. For physical initial states, our bounds predict the exponential decay of the temporal fluctuations as a function of the system size. We numerically verify this prediction for chaotic and interacting integrable spin-1/2 chains, which satisfy the assumption of our bounds. On the other hand, we show analytically and numerically that for the XX model, which is a noninteracting system with gap degeneracies, the temporal fluctuations decay polynomially with system size for operators that are local in the fermion representation and decrease exponentially in the system size for non-local operators. Our results demonstrate that the decay of the temporal fluctuations of correlators cannot be used as a reliable metric of chaos or lack thereof.Comment: 14 pages, 4 figure

Feasibility of detecting single atoms using photonic bandgap cavities

We propose an atom-cavity chip that combines laser cooling and trapping of neutral atoms with magnetic microtraps and waveguides to deliver a cold atom to the mode of a fiber taper coupled photonic bandgap (PBG) cavity. The feasibility of this device for detecting single atoms is analyzed using both a semi-classical treatment and an unconditional master equation approach. Single-atom detection seems achievable in an initial experiment involving the non-deterministic delivery of weakly trapped atoms into the mode of the PBG cavity.Comment: 11 pages, 5 figure

Adaptive Models for Gene Networks

Biological systems are often treated as time-invariant by computational models that use fixed parameter values. In this study, we demonstrate that the behavior of the p53-MDM2 gene network in individual cells can be tracked using adaptive filtering algorithms and the resulting time-variant models can approximate experimental measurements more accurately than time-invariant models. Adaptive models with time-variant parameters can help reduce modeling complexity and can more realistically represent biological systems

Creating 'good' self-managers?: Facilitating and governing an online self care skills training course

<p>Abstract</p> <p>Background</p> <p>In chronic disease management, patients are increasingly called upon to undertake a new role as lay tutors within self-management training programmes. The internet constitutes an increasingly significant healthcare setting and a key arena for self-management support and communication. This study evaluates how a new quasi-professional health workforce – volunteer tutors – engage, guide and attempt to manage people with long-term conditions in the ways of 'good' self-management within the context of an online self-management course.</p> <p>Methods</p> <p>A qualitative analysis of postings to the discussion centre of 11 online classes (purposively selected from 27) run as part of the Expert Patients Programme. Facilitators (term for tutors online) and participants posted questions, comments and solutions related to self-management of long-term conditions; these were subjected to a textual and discursive analysis to explore:</p> <p>a) how facilitators, through the internet, engaged participants in issues related to self-management;</p> <p>b) how participants responded to and interacted with facilitators.</p> <p>Results</p> <p>Emergent themes included: techniques and mechanisms used to engage people with self-management; the process facilitators followed – 'sharing', 'modelling' and 'confirming'; and the emergence of a policing role regarding online disclosure. Whilst exchanging medical advice was discouraged, facilitators often professed to understand and give advice on psychological aspects of behaviour.</p> <p>Conclusion</p> <p>The study gave an insight into the roles tutors adopt – one being their ability to 'police' subjective management of long-term conditions and another being to attempt to enhance the psychological capabilities of participants.</p

Predicted Functions of MdmX in Fine-Tuning the Response of p53 to DNA Damage

Tumor suppressor protein p53 is regulated by two structurally homologous proteins, Mdm2 and MdmX. In contrast to Mdm2, MdmX lacks ubiquitin ligase activity. Although the essential interactions of MdmX are known, it is not clear how they function to regulate p53. The regulation of tumor suppressor p53 by Mdm2 and MdmX in response to DNA damage was investigated by mathematical modeling of a simplified network. The simplified network model was derived from a detailed molecular interaction map (MIM) that exhibited four coherent DNA damage response pathways. The results suggest that MdmX may amplify or stabilize DNA damage-induced p53 responses via non-enzymatic interactions. Transient effects of MdmX are mediated by reservoirs of p53∶MdmX and Mdm2∶MdmX heterodimers, with MdmX buffering the concentrations of p53 and/or Mdm2. A survey of kinetic parameter space disclosed regions of switch-like behavior stemming from such reservoir-based transients. During an early response to DNA damage, MdmX positively or negatively regulated p53 activity, depending on the level of Mdm2; this led to amplification of p53 activity and switch-like response. During a late response to DNA damage, MdmX could dampen oscillations of p53 activity. A possible role of MdmX may be to dampen such oscillations that otherwise could produce erratic cell behavior. Our study suggests how MdmX may participate in the response of p53 to DNA damage either by increasing dependency of p53 on Mdm2 or by dampening oscillations of p53 activity and presents a model for experimental investigation

Making sense of health information technology implementation: A qualitative study protocol

BACKGROUND: Implementing new practices, such as health information technology (HIT), is often difficult due to the disruption of the highly coordinated, interdependent processes (e.g., information exchange, communication, relationships) of providing care in hospitals. Thus, HIT implementation may occur slowly as staff members observe and make sense of unexpected disruptions in care. As a critical organizational function, sensemaking, defined as the social process of searching for answers and meaning which drive action, leads to unified understanding, learning, and effective problem solving -- strategies that studies have linked to successful change. Project teamwork is a change strategy increasingly used by hospitals that facilitates sensemaking by providing a formal mechanism for team members to share ideas, construct the meaning of events, and take next actions. METHODS: In this longitudinal case study, we aim to examine project teams' sensemaking and action as the team prepares to implement new information technology in a tiertiary care hospital. Based on management and healthcare literature on HIT implementation and project teamwork, we chose sensemaking as an alternative to traditional models for understanding organizational change and teamwork. Our methods choices are derived from this conceptual framework. Data on project team interactions will be prospectively collected through direct observation and organizational document review. Through qualitative methods, we will identify sensemaking patterns and explore variation in sensemaking across teams. Participant demographics will be used to explore variation in sensemaking patterns. DISCUSSION: Outcomes of this research will be new knowledge about sensemaking patterns of project teams, such as: the antecedents and consequences of the ongoing, evolutionary, social process of implementing HIT; the internal and external factors that influence the project team, including team composition, team member interaction, and interaction between the project team and the larger organization; the ways in which internal and external factors influence project team processes; and the ways in which project team processes facilitate team task accomplishment. These findings will lead to new methods of implementing HIT in hospitals