All-electron time-dependent density functional theory with finite elements: Time-propagation approach

We present an all-electron method for time-dependent density functional theory which employs hierarchical nonuniform finite-element bases and the time-propagation approach. The method is capable of treating linear and nonlinear response of valence and core electrons to an external field. We also introduce (i) a preconditioner for the propagation equation, (ii) a stable way to implement absorbing boundary conditions, and (iii) a new kind of absorbing boundary condition inspired by perfectly matched layers.Peer reviewe

A Global lake ecological observatory network (GLEON) for synthesising high-frequency sensor data for validation of deterministic ecological models

A Global Lake Ecological Observatory Network (GLEON; www.gleon.org) has formed to provide a coordinated response to the need for scientific understanding of lake processes, utilising technological advances available from autonomous sensors. The organisation embraces a grassroots approach to engage researchers from varying disciplines, sites spanning geographic and ecological gradients, and novel sensor and cyberinfrastructure to synthesise high-frequency lake data at scales ranging from local to global. The high-frequency data provide a platform to rigorously validate processbased ecological models because model simulation time steps are better aligned with sensor measurements than with lower-frequency, manual samples. Two case studies from Trout Bog, Wisconsin, USA, and Lake Rotoehu, North Island, New Zealand, are presented to demonstrate that in the past, ecological model outputs (e.g., temperature, chlorophyll) have been relatively poorly validated based on a limited number of directly comparable measurements, both in time and space. The case studies demonstrate some of the difficulties of mapping sensor measurements directly to model state variable outputs as well as the opportunities to use deviations between sensor measurements and model simulations to better inform process understanding. Well-validated ecological models provide a mechanism to extrapolate high-frequency sensor data in space and time, thereby potentially creating a fully 3-dimensional simulation of key variables of interest

Phase sensitive absolute amplitude detection of surface vibrations using homodyne interferometry without active stabilization

A detection scheme for obtaining phase and absolute amplitude information of surface vibrations on microacoustic components using homodyne laser interferometry is described. The scheme does not require active stabilization of the optical path length of the interferometer. The detection setup is realized in a homodyneMichelson interferometer configuration, and selected measurements on a 374 MHz surface acoustic wave fan-shaped filter and two different piezoelectrically actuated micromechanical resonators are presented to demonstrate the performance of the instrument. With the current detection electronics, the interferometer is capable of detecting out-of-plane surface vibrations up to 2 GHz with a lateral resolution of better than 1 μm and with a minimum detectable vibration amplitude of ∼1 pm.Peer reviewe

Emergence of Symmetry in Complex Networks

Many real networks have been found to have a rich degree of symmetry, which is a very important structural property of complex network, yet has been rarely studied so far. And where does symmetry comes from has not been explained. To explore the mechanism underlying symmetry of the networks, we studied statistics of certain local symmetric motifs, such as symmetric bicliques and generalized symmetric bicliques, which contribute to local symmetry of networks. We found that symmetry of complex networks is a consequence of similar linkage pattern, which means that nodes with similar degree tend to share similar linkage targets. A improved version of BA model integrating similar linkage pattern successfully reproduces the symmetry of real networks, indicating that similar linkage pattern is the underlying ingredient that responsible for the emergence of the symmetry in complex networks.Comment: 7 pages, 7 figure

Inverse problem for wave equation with sources and observations on disjoint sets

We consider an inverse problem for a hyperbolic partial differential equation on a compact Riemannian manifold. Assuming that $\Gamma_1$ and $\Gamma_2$ are two disjoint open subsets of the boundary of the manifold we define the restricted Dirichlet-to-Neumann operator $\Lambda_{\Gamma_1,\Gamma_2}$. This operator corresponds the boundary measurements when we have smooth sources supported on $\Gamma_1$ and the fields produced by these sources are observed on $\Gamma_2$. We show that when $\Gamma_1$ and $\Gamma_2$ are disjoint but their closures intersect at least at one point, then the restricted Dirichlet-to-Neumann operator $\Lambda_{\Gamma_1,\Gamma_2}$ determines the Riemannian manifold and the metric on it up to an isometry. In the Euclidian space, the result yields that an anisotropic wave speed inside a compact body is determined, up to a natural coordinate transformations, by measurements on the boundary of the body even when wave sources are kept away from receivers. Moreover, we show that if we have three arbitrary non-empty open subsets $\Gamma_1,\Gamma_2$, and $\Gamma_3$ of the boundary, then the restricted Dirichlet-to-Neumann operators $\Lambda_{\Gamma_j,\Gamma_k}$ for $1\leq j<k\leq 3$ determine the Riemannian manifold to an isometry. Similar result is proven also for the finite-time boundary measurements when the hyperbolic equation satisfies an exact controllability condition

Effective Passivation of Black Silicon Surfaces by Atomic Layer Deposition

The poor charge-carrier transport properties attributed to nanostructured surfaces have been so far more detrimental for final device operation than the gain obtained from the reduced reflectance. Here, we demonstrate results that simultaneously show a huge improvement in the light absorption and in the surface passivation by applying atomic layer coating on highly absorbing silicon nanostructures. The results advance the development of photovoltaic applications, including high-efficiency solar cells or any devices, that require high-sensitivity light response.Peer reviewe

Evolution and Implementation of the NASA Robotic Conjunction Assessment Risk Analysis Concept of Operations

Reacting to potential on-orbit collision risk in an operational environment requires timely and accurate communication and exchange of data, information, and analysis to ensure informed decision-making for safety of flight and responsible use of the shared space environment. To accomplish this mission, it is imperative that all stakeholders effectively manage resources: devoting necessary and potentially intensive resource commitment to responding to high-risk conjunction events and preventing unnecessary expenditure of resources on events of low collision risk. After 10 years of operational experience, the NASA Robotic Conjunction Assessment Risk Analysis (CARA) is modifying its Concept of Operations (CONOPS) to ensure this alignment of collision risk and resource management. This evolution manifests itself in the approach to characterizing, reporting, and refining of collision risk. Implementation of this updated CONOPS is expected to have a demonstrated improvement on the efficacy of JSpOC, CARA, and owner/operator resources

Effects of weather-related episodic events in lakes: an analysis based on high-frequency data

1. Weather-related episodic events are typically unpredictable, and their duration is often short. Abiotic and biological responses are often missed in routine monitoring. These responses are, however, now of particular relevance given projected changes in extreme weather conditions. 2. We present data from high-frequency monitoring stations from lakes in Europe, North America and Asia that illustrate two classes of abiotic effects of weather events: (i) generally short-lived effects of storms on lake thermal structure and (ii) the more prolonged effects of high rainfall events on dissolved organic matter levels and water clarity. We further relate these abiotic effects to changes in dissolved oxygen or in chlorophyll a levels. 3. Three differing causes for weather-related decreases in surface dissolved oxygen levels were observed: (i) entrainment of anoxic water from depth, (ii) reduction in primary productivity and (iii) increased mineralisation of organic carbon delivered from the catchment. 4. The duration of in-lake effects tended to be longer for events driven by weather conditions with a longer return period, that is, conditions that were relatively more severe and less frequent at a site. While the susceptibility of lakes to change was related in part to the severity of the meteorological drivers, the impacts also depended on site-specific factors in some cases. 5. The availability of high-frequency data at these sites provided insight into the capacity of the lakes to absorb current and future pressures. Several of the changes we observed, including increases in carbon availability, decreases in photosynthetically active radiation and increased disturbance, have the capacity to shift lakes towards an increased degree of heterotrophy. The magnitude and direction of any such change will, however, also depend on the magnitude and direction of climate change for a given location and on lake and catchment characteristics

Incomplete Punishment Networks in Public Goods Games: Experimental Evidence

Abundant evidence suggests that high levels of contributions to public goods can be sustained through self-governed monitoring and sanctioning. This experimental study investigates the effectiveness of decentralized sanctioning institutions in alternative punishment networks. Our results show that the structure of punishment network significantly affects allocations to the public good. In addition, we observe that network configurations are more important than punishment capacities for the levels of public good provision, imposed sanctions and economic efficiency. Lastly, we show that targeted revenge is a major driver of anti-social punishment

Models and metaphors: complexity theory and through-life management in the built environment

Complexity thinking may have both modelling and metaphorical applications in the through-life management of the built environment. These two distinct approaches are examined and compared. In the first instance, some of the sources of complexity in the design, construction and maintenance of the built environment are identified. The metaphorical use of complexity in management thinking and its application in the built environment are briefly examined. This is followed by an exploration of modelling techniques relevant to built environment concerns. Non-linear and complex mathematical techniques such as fuzzy logic, cellular automata and attractors, may be applicable to their analysis. Existing software tools are identified and examples of successful built environment applications of complexity modelling are given. Some issues that arise include the definition of phenomena in a mathematically usable way, the functionality of available software and the possibility of going beyond representational modelling. Further questions arising from the application of complexity thinking are discussed, including the possibilities for confusion that arise from the use of metaphor. The metaphor of a 'commentary machine' is suggested as a possible way forward and it is suggested that an appropriate linguistic analysis can in certain situations reduce perceived complexity