A field and reactive transport model study of arsenic in a basaltic rock aquifer

The use of geothermal energy as a source for electricity and district heating has increased over recent decades. Dissolved As can be an important constituent of the geothermal fluids brought to the Earth's surface. Here the field application of laboratory measured adsorption coefficients of aqueous As species on basaltic glass surfaces is discussed. The mobility of As species in the basaltic aquifer in the Nesjavellir geothermal system, Iceland was modelled by the one-dimensional (1D) reactive transport model PHREEQC ver. 2, constrained by a long time series of field measurements with the chemical composition of geothermal effluent fluids, pH, Eh and, occasionally, Fe- and As-dissolved species measurements. Di-, tri- and tetrathioarsenic species (As(OH)S22-, AsS₃H^2-, AsS33- and As(SH)4-) were the dominant form of dissolved As in geothermal waters exiting the power plant (2.556μM total As) but converted to some extent to arsenite (H₃AsO₃) and arsenate HAsO42- oxyanions coinciding with rapid oxidation of S2- to S2O32- and finally to SO42- during surface runoff before feeding into a basaltic lava field with a total As concentration of 0.882μM following dilution with other surface waters. A continuous 25-a data set monitoring groundwater chemistry along a cross section of warm springs on the Lake Thingvallavatn shoreline allowed calibration of the 1D model. Furthermore, a series of ground water wells located in the basaltic lava field, provided access along the line of flow of the geothermal effluent waters towards the lake. The conservative ion Cl^- moved through the basaltic lava field (4100m) in less than10a but As was retarded considerably due to surface reactions and has entered a groundwater well 850m down the flow path as arsenate in accordance to the prediction of the 1D model. The 1D model predicted a complete breakthrough of arsenate in the year 2100. In a reduced system arsenite should be retained for about 1ka. © 2011 Elsevier Ltd.

The significance of interconnector counter-trading in a security constrained electricity market

Throughout the European Union there is an increasing amount of wind generation being dispatched-down due to the binding of power system operating constraints from high levels of wind generation. This paper examines the impact a system non-synchronous penetration limit has on the dispatch-down of wind and quantifies the significance of interconnector counter-trading to the priority dispatching of wind power. A fully coupled economic dispatch and security constrained unit commitment model of the Single Electricity Market of the Republic of Ireland and Northern Ireland and the British Electricity Trading and Transmission Arrangement was used in this study. The key finding was interconnector counter-trading reduces the impact the system non-synchronous penetration limit has on the dispatch-down of wind. The capability to counter-trade on the interconnectors and an increase in system non-synchronous penetration limit from 50% to 55% reduces the dispatch-down of wind by 311 GW h and decreases total electricity payments to the consumer by €1.72/MW h. In terms of the European Union electricity market integration, the results show the importance of developing individual electricity markets that allow system operators to counter-trade on interconnectors to ensure the priority dispatch of the increasing levels of wind generation.

On Infinite Time Performance of Nonlinear Model Predictive Controllers

This paper addresses the problem of infinite time performance of model predictive controllers applied to constrained nonlinear systems. The total performance is compared with a finite horizon optimal cost to reveal performance limits of closed-loop model predictive control systems. Based on the Principle of Optimality, an upper and a lower bound of the ratio between the total performance and the finite horizon optimal cost are obtained explicitly expressed by the optimization horizon. The results also illustrate, from viewpoint of performance, how model predictive controllers approaches to infinite optimal controllers as the optimization horizon increases.

Exploiting Significance of Computations for Energy-Constrained Approximate Computing

Approximate execution is a viable technique for environments with energy constraints, provided that applications are given the mechanisms to produce outputs of the highest possible quality within the available energy budget. This paper introduces a framework for energy-constrained execution with controlled and graceful quality loss. A simple programming model allows developers to structure the computation in different tasks, and to express the relative importance of these tasks for the quality of the end result. For non-significant tasks, the developer can also supply less costly, approximate versions. The target energy consumption for a given execution is specified when the application is launched. A significance-aware runtime system employs an application-specific analytical energy model to decide how many cores to use for the execution, the operating frequency for these cores, as well as the degree of task approximation, so as to maximize the quality of the output while meeting the user-specified energy constraints. Evaluation on a dual-socket 16-core Intel platform using 9 benchmark kernels shows that the proposed framework picks the optimal configuration with high accuracy. Also, a comparison with loop perforation (a well-known compile-time approximation technique), shows that the proposed framework results in significantly higher quality for the same energy budget.

Secure D2D Communication in Large-Scale Cognitive Cellular Networks: A Wireless Power Transfer Model

In this paper, we investigate secure device-to-device (D2D) communication in energy harvesting large-scale cognitive cellular networks. The energy constrained D2D transmitter harvests energy from multiantenna equipped power beacons (PBs), and communicates with the corresponding receiver using the spectrum of the primary base stations (BSs). We introduce a power transfer model and an information signal model to enable wireless energy harvesting and secure information transmission. In the power transfer model, three wireless power transfer (WPT) policies are proposed: 1) co-operative power beacons (CPB) power transfer, 2) best power beacon (BPB) power transfer, and 3) nearest power beacon (NPB) power transfer. To characterize the power transfer reliability of the proposed three policies, we derive new expressions for the exact power outage probability. Moreover, the analysis of the power outage probability is extended to the case when PBs are equipped with large antenna arrays. In the information signal model, we present a new comparative framework with two receiver selection schemes: 1) best receiver selection (BRS), where the receiver with the strongest channel is selected; and 2) nearest receiver selection (NRS), where the nearest receiver is selected. To assess the secrecy performance, we derive new analytical expressions for the secrecy outage probability and the secrecy throughput considering the two receiver selection schemes using the proposed WPT policies. We presented Monte carlo simulation results to corroborate our analysis and show: 1) secrecy performance improves with increasing densities of PBs and D2D receivers due to larger multiuser diversity gain; 2) CPB achieves better secrecy performance than BPB and NPB but consumes more power; and 3) BRS achieves better secrecy performance than NRS but demands more instantaneous feedback and overhead. A pivotal conclusion- is reached that with increasing number of antennas at PBs, NPB offers a comparable secrecy performance to that of BPB but with a lower complexity.

Assessing the effects of pseudo-absences on predictive distribution model performance

Modelling species distributions with presence data from atlases, museum collections and databases is challenging. In this paper, we compare seven procedures to generate pseudoabsence data, which in turn are used to generate GLM-logistic regressed models when reliable absence data are not available. We use pseudo-absences selected randomly or by means of presence-only methods (ENFA and MDE) to model the distribution of a threatened endemic Iberian moth species (Graellsia isabelae). The results show that the pseudo-absence selection method greatly influences the percentage of explained variability, the scores of the accuracy measures and, most importantly, the degree of constraint in the distribution estimated. As we extract pseudo-absences from environmental regions further from the optimum established by presence data, the models generated obtain better accuracy scores, and over-prediction increases. When variables other than environmental ones influence the distribution of the species (i.e., non-equilibrium state) and precise information on absences is non-existent, the random selection of pseudo-absences or their selection from environmental localities similar to those of species presence data generates the most constrained predictive distribution maps, because pseudo-absences can be located within environmentally suitable areas. This study showsthat ifwe do not have reliable absence data, the method of pseudo-absence selection strongly conditions the obtained model, generating different model predictions in the gradient between potential and realized distributions.

A musculoskeletal shoulder model based on pseudo-inverse and null-space optimization.

The goal of the present work was assess the feasibility of using a pseudo-inverse and null-space optimization approach in the modeling of the shoulder biomechanics. The method was applied to a simplified musculoskeletal shoulder model. The mechanical system consisted in the arm, and the external forces were the arm weight, 6 scapulo-humeral muscles and the reaction at the glenohumeral joint, which was considered as a spherical joint. The muscle wrapping was considered around the humeral head assumed spherical. The dynamical equations were solved in a Lagrangian approach. The mathematical redundancy of the mechanical system was solved in two steps: a pseudo-inverse optimization to minimize the square of the muscle stress and a null-space optimization to restrict the muscle force to physiological limits. Several movements were simulated. The mathematical and numerical aspects of the constrained redundancy problem were efficiently solved by the proposed method. The prediction of muscle moment arms was consistent with cadaveric measurements and the joint reaction force was consistent with in vivo measurements. This preliminary work demonstrated that the developed algorithm has a great potential for more complex musculoskeletal modeling of the shoulder joint. In particular it could be further applied to a non-spherical joint model, allowing for the natural translation of the humeral head in the glenoid fossa.

Explorations of Intramolecular [5+2] Cycloadditions of Ring-Constrained Vinylcyclopropanes

The first example of a [5+2] cycloaddition reaction wherein the olefin of the vinylcyclopropyl moiety is constrained in a carbocycle was explored, and possible reasons on the lack of reactivity of the substrate were studied. A simple model substrate was synthesized and subjected to cycloaddition conditions to determine if the reason for the lack of reactivity was related to the complexity of the substrate, or if the lack of “conjugative character” of the cyclopropyl ring with respect to the olefin is responsible. A more complex bicyclic substrate possessing an angular methyl group at the ring junction was also synthesized and explored, with evidence supporting the current theory of deconjugation of the cyclopropyl moiety.

A model of dynamic liquidity contracts

I study long-term financial contracts between lenders and borrowers in the absence of perfect enforceability and when both parties are credit constrained. Borrowers repeatedly have projects to undertake and need external financing. Lenders can commit to contractual agreements whereas borrowers can renege any period. I show that equilibrium contracts feature interesting dynamics: the economy exhibits efficient investment cycles; absence of perfect enforcement and shortage of capital skew the cycles toward states of liquidity drought; credit is rationed if either the lender has too little capital or if the borrower has too little collateral. This paper's technical contribution is its demonstration of the existence and characterization of financial contracts that are solutions to a non-convex dynamic programming problem.

Does Chance hide Necessity? : a reevaluation of the debate ‘determinism - indeterminism’ in the light of quantum mechanics and probability theory

Dans cette thèse l’ancienne question philosophique “tout événement a-t-il une cause ?” sera examinée à la lumière de la mécanique quantique et de la théorie des probabilités. Aussi bien en physique qu’en philosophie des sciences la position orthodoxe maintient que le monde physique est indéterministe. Au niveau fondamental de la réalité physique – au niveau quantique – les événements se passeraient sans causes, mais par chance, par hasard ‘irréductible’. Le théorème physique le plus précis qui mène à cette conclusion est le théorème de Bell. Ici les prémisses de ce théorème seront réexaminées. Il sera rappelé que d’autres solutions au théorème que l’indéterminisme sont envisageables, dont certaines sont connues mais négligées, comme le ‘superdéterminisme’. Mais il sera argué que d’autres solutions compatibles avec le déterminisme existent, notamment en étudiant des systèmes physiques modèles. Une des conclusions générales de cette thèse est que l’interprétation du théorème de Bell et de la mécanique quantique dépend crucialement des prémisses philosophiques desquelles on part. Par exemple, au sein de la vision d’un Spinoza, le monde quantique peut bien être compris comme étant déterministe. Mais il est argué qu’aussi un déterminisme nettement moins radical que celui de Spinoza n’est pas éliminé par les expériences physiques. Si cela est vrai, le débat ‘déterminisme – indéterminisme’ n’est pas décidé au laboratoire : il reste philosophique et ouvert – contrairement à ce que l’on pense souvent. Dans la deuxième partie de cette thèse un modèle pour l’interprétation de la probabilité sera proposé. Une étude conceptuelle de la notion de probabilité indique que l’hypothèse du déterminisme aide à mieux comprendre ce que c’est qu’un ‘système probabiliste’. Il semble que le déterminisme peut répondre à certaines questions pour lesquelles l’indéterminisme n’a pas de réponses. Pour cette raison nous conclurons que la conjecture de Laplace – à savoir que la théorie des probabilités présuppose une réalité déterministe sous-jacente – garde toute sa légitimité. Dans cette thèse aussi bien les méthodes de la philosophie que de la physique seront utilisées. Il apparaît que les deux domaines sont ici solidement reliés, et qu’ils offrent un vaste potentiel de fertilisation croisée – donc bidirectionnelle.

Patient-specific model of a scoliotic torso for surgical planning

A method for the construction of a patient-specific model of a scoliotic torso for surgical planning via inter- patient registration is presented. Magnetic Resonance Images (MRI) of a generic model are registered to surface topography (TP) and X-ray data of a test patient. A partial model is first obtained via thin-plate spline registration between TP and X-ray data of the test patient. The MRIs from the generic model are then fit into the test patient using articulated model registration between the vertebrae of the generic model’s MRIs in prone position and the test patient’s X-rays in standing position. A non-rigid deformation of the soft tissues is performed using a modified thin-plate spline constrained to maintain bone rigidity and to fit in the space between the vertebrae and the surface of the torso. Results show average Dice values of 0.975 ± 0.012 between the MRIs following inter-patient registration and the surface topography of the test patient, which is comparable to the average value of 0.976 ± 0.009 previously obtained following intra-patient registration. The results also show a significant improvement compared to rigid inter-patient registration. Future work includes validating the method on a larger cohort of patients and incorporating soft tissue stiffness constraints. The method developed can be used to obtain a geometric model of a patient including bone structures, soft tissues and the surface of the torso which can be incorporated in a surgical simulator in order to better predict the outcome of scoliosis surgery, even if MRI data cannot be acquired for the patient.

Evidence of a critical time in constrained Kinetic Ising models

We study the relaxational dynamics of the one-spin facilitated Ising model introduced by Fredrickson and Andersen. We show the existence of a critical time which separates an initial regime in which the relaxation is exponentially fast and aging is absent from a regime in which relaxation becomes slow and aging effects are present. The presence of this fast exponential process and its associated critical time is in agreement with some recent experimental results on fragile glasses.

ACTORS: A Model of Concurrent Computation in Distributed Systems

A foundational model of concurrency is developed in this thesis. We examine issues in the design of parallel systems and show why the actor model is suitable for exploiting large-scale parallelism. Concurrency in actors is constrained only by the availability of hardware resources and by the logical dependence inherent in the computation. Unlike dataflow and functional programming, however, actors are dynamically reconfigurable and can model shared resources with changing local state. Concurrency is spawned in actors using asynchronous message-passing, pipelining, and the dynamic creation of actors. This thesis deals with some central issues in distributed computing. Specifically, problems of divergence and deadlock are addressed. For example, actors permit dynamic deadlock detection and removal. The problem of divergence is contained because independent transactions can execute concurrently and potentially infinite processes are nevertheless available for interaction.

Virtual Model Control of a Hexapod Walking Robot

Since robots are typically designed with an individual actuator at each joint, the control of these systems is often difficult and non-intuitive. This thesis explains a more intuitive control scheme called Virtual Model Control. This thesis also demonstrates the simplicity and ease of this control method by using it to control a simulated walking hexapod. Virtual Model Control uses imagined mechanical components to create virtual forces, which are applied through the joint torques of real actuators. This method produces a straightforward means of controlling joint torques to produce a desired robot behavior. Due to the intuitive nature of this control scheme, the design of a virtual model controller is similar to the design of a controller with basic mechanical components. The ease of this control scheme facilitates the use of a high level control system which can be used above the low level virtual model controllers to modulate the parameters of the imaginary mechanical components. In order to apply Virtual Model Control to parallel mechanisms, a solution to the force distribution problem is required. This thesis uses an extension of Gardner`s Partitioned Force Control method which allows for the specification of constrained degrees of freedom. This virtual model control technique was applied to a simulated hexapod robot. Although the hexapod is a highly non-linear, parallel mechanism, the virtual models allowed text-book control solutions to be used while the robot was walking. Using a simple linear control law, the robot walked while simultaneously balancing a pendulum and tracking an object.

A kinematically distorted flux rope model for magnetic clouds

Constant-α force-free magnetic flux rope models have proven to be a valuable first step toward understanding the global context of in situ observations of magnetic clouds. However, cylindrical symmetry is necessarily assumed when using such models, and it is apparent from both observations and modeling that magnetic clouds have highly noncircular cross sections. A number of approaches have been adopted to relax the circular cross section approximation: frequently, the cross-sectional shape is allowed to take an arbitrarily chosen shape (usually elliptical), increasing the number of free parameters that are fit between data and model. While a better “fit” may be achieved in terms of reducing the mean square error between the model and observed magnetic field time series, it is not always clear that this translates to a more accurate reconstruction of the global structure of the magnetic cloud. We develop a new, noncircular cross section flux rope model that is constrained by observations of CMEs/ICMEs and knowledge of the physical processes acting on the magnetic cloud: The magnetic cloud is assumed to initially take the form of a force-free flux rope in the low corona but to be subsequently deformed by a combination of axis-centered self-expansion and heliocentric radial expansion. The resulting analytical solution is validated by fitting to artificial time series produced by numerical MHD simulations of magnetic clouds and shown to accurately reproduce the global structure.