Molecular dynamics modeling and simulation of void growth in two dimensions

The mechanisms of growth of a circular void by plastic deformation were studied by means of molecular dynamics in two dimensions (2D). While previous molecular dynamics (MD) simulations in three dimensions (3D) have been limited to small voids (up to ≈10 nm in radius), this strategy allows us to study the behavior of voids of up to 100 nm in radius. MD simulations showed that plastic deformation was triggered by the nucleation of dislocations at the atomic steps of the void surface in the whole range of void sizes studied. The yield stress, defined as stress necessary to nucleate stable dislocations, decreased with temperature, but the void growth rate was not very sensitive to this parameter. Simulations under uniaxial tension, uniaxial deformation and biaxial deformation showed that the void growth rate increased very rapidly with multiaxiality but it did not depend on the initial void radius. These results were compared with previous 3D MD and 2D dislocation dynamics simulations to establish a map of mechanisms and size effects for plastic void growth in crystalline solids.

Finite element simulation of sandwich panels of laminated plaster and rockwool under mixed mode fracture

Sandwich panels of laminated gypsum and rock wool have shown large pathology of cracking due to excessive slabs deflection. Currently the most widespread use of this material is as vertical elements of division or partition, with no structural function, what justifies that there are no studies on the mechanism of fracture and mechanical properties related to it. Therefore, and in order to reduce the cracking problem, it is necessary to progress in the simulation and prediction of the behaviour under tensile and shear load of such panels, although in typical applications have no structural responsability.

Integration of wearable devices in a wireless sensor network for an e-health application

Applications based on Wireless Sensor Networks for Internet of Things scenarios are on the rise. The multiple possibilities they offer have spread towards previously hard to imagine fields, like e-health or human physiological monitoring. An application has been developed for its usage in scenarios where data collection is applied to smart spaces, aiming at its usage in fire fighting and sports. This application has been tested in a gymnasium with real, non-simulated nodes and devices. A Graphic User Interface has been implemented to suggest a series of exercises to improve a sportsman/woman s condition, depending on the context and their profile. This system can be adapted to a wide variety of e-health applications with minimum changes, and the user will interact using different devices, like smart phones, smart watches and/or tablets.

Finite element simulation of sandwich panels of plasterboard and rock wool under mixed mode fracture

This paper presents the results of research on mixed mode fracture of sandwich panels of plasterboard and rock wool. The experimental data of the performed tests are supplied. The specimens were made from commercial panels. Asymmetrical three-point bending tests were performed on notched specimens. Three sizes of geometrically similar specimens were tested for studying the size effect. The paper also includes the numerical simulation of the experimental results by using an embedded cohesive crack model.The involved parameters for modelling are previously measured by standardised tests.

Software tool for simulation of aircraft trajectories

New concepts in air navigation have been introduced recently. Among others, are the concepts of trajectory optimization, 4D trajectories, RBT (Reference Business Trajectory), TBO (trajectory based operations), CDA (Continuous Descent Approach) and ACDA (Advanced CDA), conflict resolution, arrival time (AMAN), introduction of new aircraft (UAVs, UASs) in air space, etc. Although some of these concepts are new, the future Air Traffic Management will maintain the four ATM key performance areas such as Safety, Capacity, Efficiency, and Environmental impact. So much, the performance of the ATM system is directly related to the accuracy with which the future evolution of the traffic can be predicted. In this sense, future air traffic management will require a variety of support tools to provide suitable help to users and engineers involved in the air space management. Most of these tools are based on an appropriate trajectory prediction module as main component. Therefore, the purposes of these tools are related with testing and evaluation of any air navigation concept before they become fully operative. The aim of this paper is to provide an overview to the design of a software tool useful to estimate aircraft trajectories adapted to air navigation concepts. Other usage of the tool, like controller design, vertical navigation assessment, procedures validation and hardware and software in the loop are available in the software tool. The paper will show the process followed to design the tool, the software modules needed to perform accurately and the process followed to validate the output data.

Numerical simulation of the transition from densely distributed to localized cracking.

8th International Conference on Fracture Mechanics of Concrete and Concrete Structures (FraMCoS8).

On the simulation of the UPMSAT-2 microsatellite power

Simulation of satellite subsystems behaviour is extramely important in the design at early stages. The subsystems are normally simulated in the both ways : isolated and as part of more complex simulation that takes into account imputs from other subsystems (concurrent design). In the present work, a simple concurrent simulation of the power subsystem of a microsatellite, UPMSat-2, is described. The aim of the work is to obtain the performance profile of the system (battery charging level, power consumption by the payloads, power supply from solar panels....). Different situations such as battery critical low or high level, effects of high current charging due to the low temperature of solar panels after eclipse,DoD margins..., were analysed, and different safety strategies studied using the developed tool (simulator) to fulfil the mission requirements. Also, failure cases were analysed in order to study the robustness of the system. The mentioned simulator has been programed taking into account the power consumption performances (average and maximum consumptions per orbit/day) of small part of the subsystem (SELEX GALILEO SPVS modular generators built with Azur Space solar cells, SAFT VES16 6P4S Li-ion battery, SSBV magnetometers, TECNOBIT and DATSI/UPM On Board Data Handling -OBDH-...). The developed tool is then intended to be a modular simulator, with the chance of use any other components implementing some standard data.

Improving simulation of soil water balance using lysimeter observations in a semiarid climate.

Water balance simulation in cropping systems is a very useful tool to study how water can be used efficiently. However this requires that models simulate an accurate water balance. Comparing model results with field observations will provide information on the performance of the models. The objective of this study was to test the performance of DSSAT model in simulating the water balance by comparing the simulations with observed measurements. The soil water balance in DSSAT uses a one dimensional ?tipping bucket? soil water balance approach where available soil water is determined by the drained upper limit (DUL), lower limit (LL) and saturated water content (SAT). A continuous weighing lysimeter was used to get the observed values of drainage and evapotranspiration (ET). An automated agrometeorological weather station close to the lisymeter was also used to record the climatic data. The model simulated accurately the soil water content after the optimization of the soil parameters. However it was found the inability of the model to capture small changes in daily drainage and ET. For that reason simulated cumulative values had larger errors as the time passed by. These results suggested the need to compare outputs of DSSAT and some hydrological model that simulates soil water movement with a more mechanistic approach. The comparison of the two models will allow us to find which mechanism can be modified or incorporated in DSSAT model to improve the simulations.

Numerical simulation of group combustion of pulverized coal

A mathematical model for the group combustion of pulverized coal particles was developed in a previous work. It includes the Lagrangian description of the dehumidification, devolatilization and char gasification reactions of the coal particles in the homogenized gaseous environment resulting from the three fuels, CO, H2 and volatiles, supplied by the gasification of the particles and their simultaneous group combustion by the gas phase oxidation reactions, which are considered to be very fast. This model is complemented here with an analysis of the particle dynamics, determined principally by the effects of aerodynamic drag and gravity, and its dispersion based on a stochastic model. It is also extended to include two other simpler models for the gasification of the particles: the first one for particles small enough to extinguish the surrounding diffusion flames, and a second one for particles with small ash content when the porous shell of ashes remaining after gasification of the char, non structurally stable, is disrupted. As an example of the applicability of the models, they are used in the numerical simulation of an experiment of a non-swirling pulverized coal jet with a nearly stagnant air at ambient temperature, with an initial region of interaction with a small annular methane flame. Computational algorithms for solving the different stages undergone by a coal particle during its combustion are proposed. For the partial differential equations modeling the gas phase, a second order finite element method combined with a semi-Lagrangian characteristics method are used. The results obtained with the three versions of the model are compared among them and show how the first of the simpler models fits better the experimental results.

Accurate Simulation of MPPT Methods Performance When Applied to Commercial Photovoltaic Panels

Anew, simple, and quick-calculationmethodology to obtain a solar panel model, based on the manufacturers’ datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions.

Finite element simulation of dispersion in the Bay of Santander

Two mathematical models are used to simulate pollution in the Bay of Santander. The first is the hydrodynamic model that provides the velocity field and height of the water. The second gives the pollutant concentration field as a resultant. Both models are formulated in two-dimensional equations. Linear triangular finite elements are used in the Galerkin procedure for spatial discretization. A finite difference scheme is used for the time integration. At each time step the calculated results of the first model are input to the second model as field data. The efficiency and accuracy of the models are tested by their application to a simple illustrative example. Finally a case study in simulation of pollution evolution in the Bay of Santander is presented

Service for the pseudonymization of electronic healthcare records based on ISO/EN 13606 for the secondary use of information

The availability of electronic health data favors scientific advance through the creation of repositories for secondary use. Data anonymization is a mandatory step to comply with current legislation. A service for the pseudonymization of electronic healthcare record (EHR) extracts aimed at facilitating the exchange of clinical information for secondary use in compliance with legislation on data protection is presented. According to ISO/TS 25237, pseudonymization is a particular type of anonymization. This tool performs the anonymizations by maintaining three quasi-identifiers (gender, date of birth and place of residence) with a degree of specification selected by the user. The developed system is based on the ISO/EN 13606 norm using its characteristics specifically favorable for anonymization. The service is made up of two independent modules: the demographic server and the pseudonymizing module. The demographic server supports the permanent storage of the demographic entities and the management of the identifiers. The pseudonymizing module anonymizes the ISO/EN 13606 extracts. The pseudonymizing process consists of four phases: the storage of the demographic information included in the extract, the substitution of the identifiers, the elimination of the demographic information of the extract and the elimination of key data in free-text fields. The described pseudonymizing system was used in three Telemedicine research projects with satisfactory results. A problem was detected with the type of data in a demographic data field and a proposal for modification was prepared for the group in charge of the drawing up and revision of the ISO/EN 13606 norm.

Computer simulation of the interplay between fractal structures and surrounding heterogeneous multifractal distributions. Applications

In a large number of physical, biological and environmental processes interfaces with high irregular geometry appear separating media (phases) in which the heterogeneity of constituents is present. In this work the quantification of the interplay between irregular structures and surrounding heterogeneous distributions in the plane is made For a geometric set image and a mass distribution (measure) image supported in image, being image, the mass image gives account of the interplay between the geometric structure and the surrounding distribution. A computation method is developed for the estimation and corresponding scaling analysis of image, being image a fractal plane set of Minkowski dimension image and image a multifractal measure produced by random multiplicative cascades. The method is applied to natural and mathematical fractal structures in order to study the influence of both, the irregularity of the geometric structure and the heterogeneity of the distribution, in the scaling of image. Applications to the analysis and modeling of interplay of phases in environmental scenarios are given.

Neurite, a finite difference large scale parallel program for the simulation of the electrical signal propagation in neurites under mechanical loading

With the growing body of research on traumatic brain injury and spinal cord injury, computational neuroscience has recently focused its modeling efforts on neuronal functional deficits following mechanical loading. However, in most of these efforts, cell damage is generally only characterized by purely mechanistic criteria, function of quantities such as stress, strain or their corresponding rates. The modeling of functional deficits in neurites as a consequence of macroscopic mechanical insults has been rarely explored. In particular, a quantitative mechanically based model of electrophysiological impairment in neuronal cells has only very recently been proposed (Jerusalem et al., 2013). In this paper, we present the implementation details of Neurite: the finite difference parallel program used in this reference. Following the application of a macroscopic strain at a given strain rate produced by a mechanical insult, Neurite is able to simulate the resulting neuronal electrical signal propagation, and thus the corresponding functional deficits. The simulation of the coupled mechanical and electrophysiological behaviors requires computational expensive calculations that increase in complexity as the network of the simulated cells grows. The solvers implemented in Neurite-explicit and implicit-were therefore parallelized using graphics processing units in order to reduce the burden of the simulation costs of large scale scenarios. Cable Theory and Hodgkin-Huxley models were implemented to account for the electrophysiological passive and active regions of a neurite, respectively, whereas a coupled mechanical model accounting for the neurite mechanical behavior within its surrounding medium was adopted as a link between lectrophysiology and mechanics (Jerusalem et al., 2013). This paper provides the details of the parallel implementation of Neurite, along with three different application examples: a long myelinated axon, a segmented dendritic tree, and a damaged axon. The capabilities of the program to deal with large scale scenarios, segmented neuronal structures, and functional deficits under mechanical loading are specifically highlighted.

Computer simulation of random parckings for self-similar particle size distributions in soil and granular materials: porosity and pore size distribution

A 2D computer simulation method of random packings is applied to sets of particles generated by a self-similar uniparametric model for particle size distributions (PSDs) in granular media. The parameter p which controls the model is the proportion of mass of particles corresponding to the left half of the normalized size interval [0,1]. First the influence on the total porosity of the parameter p is analyzed and interpreted. It is shown that such parameter, and the fractal exponent of the associated power scaling, are efficient packing parameters, but this last one is not in the way predicted in a former published work addressing an analogous research in artificial granular materials. The total porosity reaches the minimum value for p = 0.6. Limited information on the pore size distribution is obtained from the packing simulations and by means of morphological analysis methods. Results show that the range of pore sizes increases for decreasing values of p showing also different shape in the volume pore size distribution. Further research including simulations with a greater number of particles and image resolution are required to obtain finer results on the hierarchical structure of pore space.