A fast and robust numerical scheme for solving models of charge carrier transport and ion vacancy motion in perovskite solar cells

Drift-diffusion models that account for the motion of both electronic and ionic charges are important tools for explaining the hysteretic behaviour and guiding the development of metal halide perovskite solar cells. Furnishing numerical solutions to such models for realistic operating conditions is challenging owing to the extreme values of some of the parameters. In particular, those characterising (i) the short Debye lengths (giving rise to rapid changes in the solutions across narrow layers), (ii) the relatively large potential differences across devices and (iii) the disparity in timescales between the motion of the electronic and ionic species give rise to significant stiffness. We present a finite difference scheme with an adaptive time step that is posed on a non-uniform staggered grid that provides second order accuracy in the mesh spacing. The method is able to cope with the stiffness of the system for realistic parameters values whilst providing high accuracy and maintaining modest computational costs. For example, a transient sweep of a current-voltage curve can be computed in only a few minutes on a standard desktop computer.Comment: 22 pages, 8 figure

Conductivity of Paired Composite Fermions

We develop a phenomenological description of the nu=5/2 quantum Hall state in which the Halperin-Lee-Read theory of the half-filled Landau level is combined with a p-wave pairing interaction between composite fermions (CFs). The electromagnetic response functions for the resulting mean-field superconducting state of the CFs are calculated and used in an RPA calculation of the q and omega dependent longitudinal conductivity of the physical electrons, a quantity which can be measured experimentally

Systematic derivation of a surface polarization model for planar perovskite solar cells

Increasing evidence suggests that the presence of mobile ions in perovskite solar cells can cause a current-voltage curve hysteresis. Steady state and transient current-voltage characteristics of a planar metal halide CH$_3$NH$_3$PbI$_3$ perovskite solar cell are analysed with a drift-diffusion model that accounts for both charge transport and ion vacancy motion. The high ion vacancy density within the perovskite layer gives rise to narrow Debye layers (typical width $\sim$2nm), adjacent to the interfaces with the transport layers, over which large drops in the electric potential occur and in which significant charge is stored. Large disparities between (I) the width of the Debye layers and that of the perovskite layer ($\sim$600nm) and (II) the ion vacancy density and the charge carrier densities motivate an asymptotic approach to solving the model, while the stiffness of the equations renders standard solution methods unreliable. We derive a simplified surface polarisation model in which the slow ion dynamic are replaced by interfacial (nonlinear) capacitances at the perovskite interfaces. Favourable comparison is made between the results of the asymptotic approach and numerical solutions for a realistic cell over a wide range of operating conditions of practical interest.Comment: 32 pages, 7 figure

A Multilevel Approach to Topology-Aware Collective Operations in Computational Grids

The efficient implementation of collective communiction operations has received much attention. Initial efforts produced "optimal" trees based on network communication models that assumed equal point-to-point latencies between any two processes. This assumption is violated in most practical settings, however, particularly in heterogeneous systems such as clusters of SMPs and wide-area "computational Grids," with the result that collective operations perform suboptimally. In response, more recent work has focused on creating topology-aware trees for collective operations that minimize communication across slower channels (e.g., a wide-area network). While these efforts have significant communication benefits, they all limit their view of the network to only two layers. We present a strategy based upon a multilayer view of the network. By creating multilevel topology-aware trees we take advantage of communication cost differences at every level in the network. We used this strategy to implement topology-aware versions of several MPI collective operations in MPICH-G2, the Globus Toolkit[tm]-enabled version of the popular MPICH implementation of the MPI standard. Using information about topology provided by MPICH-G2, we construct these multilevel topology-aware trees automatically during execution. We present results demonstrating the advantages of our multilevel approach by comparing it to the default (topology-unaware) implementation provided by MPICH and a topology-aware two-layer implementation.Comment: 16 pages, 8 figure

Network growth models and genetic regulatory networks

We study a class of growth algorithms for directed graphs that are candidate models for the evolution of genetic regulatory networks. The algorithms involve partial duplication of nodes and their links, together with innovation of new links, allowing for the possibility that input and output links from a newly created node may have different probabilities of survival. We find some counterintuitive trends as parameters are varied, including the broadening of indegree distribution when the probability for retaining input links is decreased. We also find that both the scaling of transcription factors with genome size and the measured degree distributions for genes in yeast can be reproduced by the growth algorithm if and only if a special seed is used to initiate the process.Comment: 8 pages with 7 eps figures; uses revtex4. Added references, cleaner figure

Drugs for neglected diseases: a failure of the market and a public health failure?

Infectious diseases cause the suffering of hundreds of millions of people, especially in tropical and subtropical areas. Effective, affordable and easy-to-use medicines to fight these diseases are nearly absent. Although science and technology are sufficiently advanced to provide the necessary medicines, very few new drugs are being developed. However, drug discovery is not the major bottleneck. Today's R&D-based pharmaceutical industry is reluctant to invest in the development of drugs to treat the major diseases of the poor, because return on investment cannot be guaranteed. With national and international politics supporting a free market-based world order, financial opportunities rather than global health needs guide the direction of new drug development. Can we accept that the dearth of effective drugs for diseases that mainly affect the poor is simply the sad but inevitable consequence of a global market economy? Or is it a massive public health failure, and a failure to direct economic development for the benefit of society? An urgent reorientation of priorities in drug development and health policy is needed. The pharmaceutical industry must contribute to this effort, but national and international policies need to direct the global economy to address the true health needs of society. This requires political will, a strong commitment to prioritize health considerations over economic interests, and the enforcement of regulations and other mechanisms to stimulate essential drug development. New and creative strategies involving both the public and the private sector are needed to ensure that affordable medicines for today's neglected diseases are developed. Priority action areas include advocating an essential medicines R&D agenda, capacity-building in and technology transfer to developing countries, elaborating an adapted legal and regulatory framework, prioritizing funding for essential drug development and securing availability, accessibility, distribution and rational use of these drugs

Prompt energization of relativistic and highly relativistic electrons during a substorm interval: Van Allen Probes observations

Abstract On 17 March 2013, a large magnetic storm significantly depleted the multi-MeV radiation belt. We present multi-instrument observations from the Van Allen Probes spacecraft Radiation Belt Storm Probe A and Radiation Belt Storm Probe B at ~6 Re in the midnight sector magnetosphere and from ground-based ionospheric sensors during a substorm dipolarization followed by rapid reenergization of multi-MeV electrons. A 50% increase in magnetic field magnitude occurred simultaneously with dramatic increases in 100 keV electron fluxes and a 100 times increase in VLF wave intensity. The 100 keV electrons and intense VLF waves provide a seed population and energy source for subsequent radiation belt enhancements. Highly relativistic (\u3e2 MeV) electron fluxes increased immediately at L* ~ 4.5 and 4.5 MeV flux increased \u3e90 times at L* = 4 over 5 h. Although plasmasphere expansion brings the enhanced radiation belt multi-MeV fluxes inside the plasmasphere several hours postsubstorm, we localize their prompt reenergization during the event to regions outside the plasmasphere. Key Points Substorm dynamics are important for highly relativistic electron energization Cold plasma preconditioning is significant for rapid relativistic energization Relativistic / highly relativistic electron energization can occur in \u3c 5 hrs

Rehabilitation following rotator cuff repair: A nested qualitative study exploring the perceptions and experiences of participants in a randomised controlled trial

Objective: To investigate acceptability, barriers to adherence with the interventions, and which outcome measures best reflect the participants’ rehabilitation goals in a pilot and feasibility randomised controlled trial evaluating early patient-directed rehabilitation and standard rehabilitation, including sling immobilisation for four weeks, following surgical repair of the rotator cuff of the shoulder. Design: Nested qualitative study. Setting: Five English National Health Service Hospitals. Subjects: Nineteen patient participants who had undergone surgical repair of the rotator cuff and 10 healthcare practitioners involved in the trial. Method: Individual semi-structured interviews. Data were analysed thematically. Results: Four themes: (1) Preconceptions of early mobilisation; many participants were motivated to enter the trial for the opportunity of removing their sling and getting moving early. (2) Sling use and movement restrictions; for some, sling use for four weeks was unacceptable and contributed to their pain, rather than relieving it. (3) Tensions associated with early mobilisation; clinical tensions regarding early mobilisation and the perceived risk to the surgical repair were apparent. (4) Processes of running the trial; participants found the trial processes to be largely appropriate and acceptable, but withholding the results of the post-operative research ultrasound scan was contentious. Conclusion: Trial processes were largely acceptable, except for withholding results of the ultrasound scan. For some participants, use of the shoulder sling for a prolonged period after surgery was a reported barrier to standard rehabilitation whereas the concept of early mobilisation contributed tension for some healthcare practitioners due to concern about the effect on the surgical repair

Implicit Simulations using Messaging Protocols

A novel algorithm for performing parallel, distributed computer simulations on the Internet using IP control messages is introduced. The algorithm employs carefully constructed ICMP packets which enable the required computations to be completed as part of the standard IP communication protocol. After providing a detailed description of the algorithm, experimental applications in the areas of stochastic neural networks and deterministic cellular automata are discussed. As an example of the algorithms potential power, a simulation of a deterministic cellular automaton involving 10^5 Internet connected devices was performed.Comment: 14 pages, 3 figure