Numerical Modelling of Double-Steel Plate Composite Shear Walls*Computation* **2017**, *5*(1), 12; doi:10.3390/computation5010012 - 22 February 2017**Abstract **

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Double-steel plate concrete composite shear walls are being used for nuclear plants and high-rise buildings. They consist of thick concrete walls, exterior steel faceplates serving as reinforcement and shear connectors, which guarantee the composite action between the two different materials. Several researchers have

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Double-steel plate concrete composite shear walls are being used for nuclear plants and high-rise buildings. They consist of thick concrete walls, exterior steel faceplates serving as reinforcement and shear connectors, which guarantee the composite action between the two different materials. Several researchers have used the Finite Element Method to investigate the behaviour of double-steel plate concrete walls. The majority of them model every element explicitly leading to a rather time-consuming solution, which cannot be easily used for design purposes. In the present paper, the main objective is the introduction of a three-dimensional finite element model, which can efficiently predict the overall performance of a double-steel plate concrete wall in terms of accuracy and time saving. At first, empirical formulations and design relations established in current design codes for shear connectors are evaluated. Then, a simplified finite element model is used to investigate the nonlinear response of composite walls. The developed model is validated using results from tests reported in the literature in terms of axial compression and monotonic, cyclic in-plane shear loading. Several finite element modelling issues related to potential convergence problems, loading strategies and computer efficiency are also discussed. The accuracy and simplicity of the proposed model make it suitable for further numerical studies on the shear connection behaviour at the steel-concrete interface.
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Virtual Prototyping and Validation of Cpps within a New Software Framework*Computation* **2017**, *5*(1), 10; doi:10.3390/computation5010010 - 18 February 2017**Abstract **

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As a result of the growing demand for highly customized and individual products, companies need to enable flexible and intelligent manufacturing. Cyber-physical production systems (CPPS) will act autonomously in the future in an interlinked production and enable such flexibility. However, German mid-sized plant

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As a result of the growing demand for highly customized and individual products, companies need to enable flexible and intelligent manufacturing. Cyber-physical production systems (CPPS) will act autonomously in the future in an interlinked production and enable such flexibility. However, German mid-sized plant manufacturers rarely use virtual technologies for design and validation in order to design CPPS. The research project Virtual Commissioning with Smart Hybrid Prototyping (VIB-SHP) investigated the usage of virtual technologies for manufacturing systems and CPPS design. Aspects of asynchronous communicating, intelligent- and autonomous-acting production equipment in an immersive validation environment, have been investigated. To enable manufacturing system designers to validate CPPS, a software framework for virtual prototyping has been developed. A mechatronic construction kit for production system design integrates discipline-specific models and manages them in a product lifecycle management (PLM) solution. With this construction kit manufacturing designers are able to apply virtual technologies and the validation of communication processes with the help of behavior models. The presented approach resolves the sequential design process for the development of mechanical, electrical, and software elements and ensures the consistency of these models. With the help of a bill of material (BOM)- and signal-based alignment of the discipline-specific models in an integrated mechatronic product model, the communication of the design status and changes are improved. The re-use of already-specified and -designed modules enable quick behavior modeling, code evaluation, as well as interaction with the virtualized assembly system in an immersive environment.
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Multiscale CT-Based Computational Modeling of Alveolar Gas Exchange during Artificial Lung Ventilation, Cluster (Biot) and Periodic (Cheyne-Stokes) Breathings and Bronchial Asthma Attack*Computation* **2017**, *5*(1), 11; doi:10.3390/computation5010011 - 18 February 2017**Abstract **

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An airflow in the first four generations of the tracheobronchial tree was simulated by the 1D model of incompressible fluid flow through the network of the elastic tubes coupled with 0D models of lumped alveolar components, which aggregates parts of the alveolar volume

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An airflow in the first four generations of the tracheobronchial tree was simulated by the 1D model of incompressible fluid flow through the network of the elastic tubes coupled with 0D models of lumped alveolar components, which aggregates parts of the alveolar volume and smaller airways, extended with convective transport model throughout the lung and alveolar components which were combined with the model of oxygen and carbon dioxide transport between the alveolar volume and the averaged blood compartment during pathological respiratory conditions. The novel features of this work are 1D reconstruction of the tracheobronchial tree structure on the basis of 3D segmentation of the computed tomography (CT) data; 1D−0D coupling of the models of 1D bronchial tube and 0D alveolar components; and the alveolar gas exchange model. The results of our simulations include mechanical ventilation, breathing patterns of severely ill patients with the cluster (Biot) and periodic (Cheyne-Stokes) respirations and bronchial asthma attack. The suitability of the proposed mathematical model was validated. Carbon dioxide elimination efficiency was analyzed in all these cases. In the future, these results might be integrated into research and practical studies aimed to design cyberbiological systems for remote real-time monitoring, classification, prediction of breathing patterns and alveolar gas exchange for patients with breathing problems.
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Excitons in Solids from Time-Dependent Density-Functional Theory: Assessing the Tamm-Dancoff Approximation*Computation* **2017**, *5*(1), 9; doi:10.3390/computation5010009 - 29 January 2017**Abstract **

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Excitonic effects in solids can be calculated using the Bethe-Salpeter equation (BSE) or the Casida equation of time-dependent density-functional theory (TDDFT). In both methods, the Tamm-Dancoff approximation (TDA), which decouples excitations and de-excitations, is widely used to reduce computational cost. Here, we study

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Excitonic effects in solids can be calculated using the Bethe-Salpeter equation (BSE) or the Casida equation of time-dependent density-functional theory (TDDFT). In both methods, the Tamm-Dancoff approximation (TDA), which decouples excitations and de-excitations, is widely used to reduce computational cost. Here, we study the effect of the TDA on exciton binding energies of solids obtained from the Casida equation using long-range-corrected (LRC) exchange-correlation kernels. We find that the TDA underestimates TDDFT-LRC exciton binding energies of semiconductors slightly, but those of insulators significantly (i.e., by more than 100%), and thus it is essential to solve the full Casida equation to describe strongly bound excitons. These findings are relevant in the ongoing search for accurate and efficient TDDFT approaches for excitons.
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Numerical and Computational Analysis of a New Vertical Axis Wind Turbine, Named KIONAS*Computation* **2017**, *5*(1), 8; doi:10.3390/computation5010008 - 11 January 2017**Abstract **

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This paper concentrates on a new configuration for a wind turbine, named KIONAS. The main purpose is to determine the performance and aerodynamic behavior of KIONAS, which is a vertical axis wind turbine with a stator over the rotor and a special feature

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This paper concentrates on a new configuration for a wind turbine, named KIONAS. The main purpose is to determine the performance and aerodynamic behavior of KIONAS, which is a vertical axis wind turbine with a stator over the rotor and a special feature in that it can consist of several stages. Notably, the stator is shaped in such a way that it increases the velocity of the air impacting the rotor blades. Moreover, each stage’s performance can be increased with the increase of the total number of stages. The effects of wind velocity, the various numbers of inclined rotor blades, the rotor diameter, the stator’s shape and the number of stages on the performance of KIONAS were studied. A FORTRAN code was developed in order to predict the power in several cases by solving the equations of continuity and momentum. Subsequently, further knowledge on the flow field was obtained by using a commercial Computational Fluid Dynamics code. Based on the results, it can be concluded that higher wind velocities and a greater number of blades produce more power. Furthermore, higher performance was found for a stator with curved guide vanes and for a KIONAS configuration with more stages.
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Towards a Multiscale Model of Acute HIV Infection*Computation* **2017**, *5*(1), 6; doi:10.3390/computation5010006 - 10 January 2017**Abstract **

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Human Immunodeficiency Virus (HIV) infection of humans represents a complex biological system and a great challenge to public health. Novel approaches for the analysis and prediction of the infection dynamics based on a multi-scale integration of virus ontogeny and immune reactions are needed

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Human Immunodeficiency Virus (HIV) infection of humans represents a complex biological system and a great challenge to public health. Novel approaches for the analysis and prediction of the infection dynamics based on a multi-scale integration of virus ontogeny and immune reactions are needed to deal with the systems’ complexity. The aim of our study is: (1) to formulate a multi-scale mathematical model of HIV infection; (2) to implement the model computationally following a hybrid approach; and (3) to calibrate the model by estimating the parameter values enabling one to reproduce the “standard” observed dynamics of HIV infection in blood during the acute phase of primary infection. The modeling approach integrates the processes of infection spread and immune responses in Lymph Nodes (LN) to that observed in blood. The spatio-temporal population dynamics of T lymphocytes in LN in response to HIV infection is governed by equations linking an intracellular regulation of the lymphocyte fate by intercellular cytokine fields. We describe the balance of proliferation, differentiation and death at a single cell level as a consequence of gene activation via multiple signaling pathways activated by IL-2, IFNa and FasL. Distinct activation thresholds are used in the model to relate different modes of cellular responses to the hierarchy of the relative levels of the cytokines. We specify a reference set of model parameter values for the fundamental processes in lymph nodes that ensures a reasonable agreement with viral load and CD4^{+} T cell dynamics in blood.
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Acknowledgement to Reviewers of *Computation* in 2016*Computation* **2017**, *5*(1), 7; doi:10.3390/computation5010007 - 10 January 2017**Abstract **
The editors of *Computation* would like to express their sincere gratitude to the following reviewers for assessing manuscripts in 2016.[...]
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First Principle Modelling of Materials and Processes in Dye-Sensitized Photoanodes for Solar Energy and Solar Fuels*Computation* **2017**, *5*(1), 5; doi:10.3390/computation5010005 - 1 January 2017**Abstract **

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In the context of solar energy exploitation, dye-sensitized solar cells and dye-sensitized photoelectrosynthetic cells offer the promise of low-cost sunlight conversion and storage, respectively. In this perspective we discuss the main successes and limitations of modern computational methodologies, ranging from hybrid and long-range

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In the context of solar energy exploitation, dye-sensitized solar cells and dye-sensitized photoelectrosynthetic cells offer the promise of low-cost sunlight conversion and storage, respectively. In this perspective we discuss the main successes and limitations of modern computational methodologies, ranging from hybrid and long-range corrected density functionals, GW approaches and multi-reference perturbation theories, in describing the electronic and optical properties of isolated components and complex interfaces relevant to these devices. While computational modelling has had a crucial role in the development of the dye-sensitized solar cells technology, the theoretical characterization of the interface structure and interfacial processes in water splitting devices is still at its infancy, especially concerning the electron and hole transfer phenomena. Quantitative analysis of interfacial charge separation and recombination reactions in multiple metal-oxide/dye/catalyst heterointerfaces, thus, undoubtedly represents the compelling challenge in the field of modern computational material science.
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An SVM Framework for Malignant Melanoma Detection Based on Optimized HOG Features*Computation* **2017**, *5*(1), 4; doi:10.3390/computation5010004 - 1 January 2017**Abstract **

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Early detection of skin cancer through improved techniques and innovative technologies has the greatest potential for significantly reducing both morbidity and mortality associated with this disease. In this paper, an effective framework of a CAD (Computer-Aided Diagnosis) system for melanoma skin cancer is

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Early detection of skin cancer through improved techniques and innovative technologies has the greatest potential for significantly reducing both morbidity and mortality associated with this disease. In this paper, an effective framework of a CAD (Computer-Aided Diagnosis) system for melanoma skin cancer is developed mainly by application of an SVM (Support Vector Machine) model on an optimized set of HOG (Histogram of Oriented Gradient) based descriptors of skin lesions. Experimental results obtained by applying the presented methodology on a large, publicly accessible dataset of dermoscopy images demonstrate that the proposed framework is a strong contender for the state-of-the-art alternatives by achieving high levels of sensitivity, specificity, and accuracy (98.21%, 96.43% and 97.32%, respectively), without sacrificing computational soundness.
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Critical Issues in Modelling Lymph Node Physiology*Computation* **2017**, *5*(1), 3; doi:10.3390/computation5010003 - 24 December 2016**Abstract **

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In this study, we discuss critical issues in modelling the structure and function of lymph nodes (LNs), with emphasis on how LN physiology is related to its multi-scale structural organization. In addition to macroscopic domains such as B-cell follicles and the T cell

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In this study, we discuss critical issues in modelling the structure and function of lymph nodes (LNs), with emphasis on how LN physiology is related to its multi-scale structural organization. In addition to macroscopic domains such as B-cell follicles and the T cell zone, there are vascular networks which play a key role in the delivery of information to the inner parts of the LN, i.e., the conduit and blood microvascular networks. We propose object-oriented computational algorithms to model the 3D geometry of the fibroblastic reticular cell (FRC) network and the microvasculature. Assuming that a conduit cylinder is densely packed with collagen fibers, the computational flow study predicted that the diffusion should be a dominating process in mass transport than convective flow. The geometry models are used to analyze the lymph flow properties through the conduit network in unperturbed- and damaged states of the LN. The analysis predicts that elimination of up to 60%–90% of edges is required to stop the lymph flux. This result suggests a high degree of functional robustness of the network.
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Power Conversion Efficiency of Arylamine Organic Dyes for Dye-Sensitized Solar Cells (DSSCs) Explicit to Cobalt Electrolyte: Understanding the Structural Attributes Using a Direct QSPR Approach*Computation* **2017**, *5*(1), 2; doi:10.3390/computation5010002 - 23 December 2016**Abstract **

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Post silicon solar cell era involves light-absorbing dyes for dye-sensitized solar systems (DSSCs). Therefore, there is great interest in the design of competent organic dyes for DSSCs with high power conversion efficiency (PCE) to bypass some of the disadvantages of silicon-based solar cell

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Post silicon solar cell era involves light-absorbing dyes for dye-sensitized solar systems (DSSCs). Therefore, there is great interest in the design of competent organic dyes for DSSCs with high power conversion efficiency (PCE) to bypass some of the disadvantages of silicon-based solar cell technologies, such as high cost, heavy weight, limited silicon resources, and production methods that lead to high environmental pollution. The DSSC has the unique feature of a distance-dependent electron transfer step. This depends on the relative position of the sensitized organic dye in the metal oxide composite system. In the present work, we developed quantitative structure-property relationship (QSPR) models to set up the quantitative relationship between the overall PCE and quantum chemical molecular descriptors. They were calculated from density functional theory (DFT) and time-dependent DFT (TD-DFT) methods as well as from DRAGON software. This allows for understanding the basic electron transfer mechanism along with the structural attributes of arylamine-organic dye sensitizers for the DSSCs explicit to cobalt electrolyte. The identified properties and structural fragments are particularly valuable for guiding time-saving synthetic efforts for development of efficient arylamine organic dyes with improved power conversion efficiency.
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Application of the Recursive Finite Element Approach on 2D Periodic Structures under Harmonic Vibrations*Computation* **2017**, *5*(1), 1; doi:10.3390/computation5010001 - 22 December 2016**Abstract **

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The frequency response function is a quantitative measure used in structural analysis and engineering design; hence, it is targeted for accuracy. For a large structure, a high number of substructures, also called cells, must be considered, which will lead to a high amount

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The frequency response function is a quantitative measure used in structural analysis and engineering design; hence, it is targeted for accuracy. For a large structure, a high number of substructures, also called cells, must be considered, which will lead to a high amount of computational time. In this paper, the recursive method, a finite element method, is used for computing the frequency response function, independent of the number of cells with much lesser time costs. The fundamental principle is eliminating the internal degrees of freedom that are at the interface between a cell and its succeeding one. The method is applied solely for free (no load) nodes. Based on the boundary and interior degrees of freedom, the global dynamic stiffness matrix is computed by means of products and inverses resulting with a dimension the same as that for one cell. The recursive method is demonstrated on periodic structures (cranes and buildings) under harmonic vibrations. The method yielded a satisfying time decrease with a maximum time ratio of $\frac{1}{18}$ and a percentage difference of 19%, in comparison with the conventional finite element method. Close values were attained at low and very high frequencies; the analysis is supported for two types of materials (steel and plastic). The method maintained its efficiency with a high number of forces, excluding the case when all of the nodes are under loads.
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Effect of Pore Structure on Soot Deposition in Diesel Particulate Filter*Computation* **2016**, *4*(4), 46; doi:10.3390/computation4040046 - 2 December 2016**Abstract **

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Nowadays, in the after-treatment of diesel exhaust gas, a diesel particulate filter (DPF) has been used to trap nano-particles of the diesel soot. However, as there are more particles inside the filter, the pressure which corresponds to the filter backpressure increases, which worsens

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Nowadays, in the after-treatment of diesel exhaust gas, a diesel particulate filter (DPF) has been used to trap nano-particles of the diesel soot. However, as there are more particles inside the filter, the pressure which corresponds to the filter backpressure increases, which worsens the fuel consumption rate, together with the abatement of the available torque. Thus, a filter with lower backpressure would be needed. To achieve this, it is necessary to utilize the information on the phenomena including both the soot transport and its removal inside the DPF, and optimize the filter substrate structure. In this paper, to obtain useful information for optimization of the filter structure, we tested seven filters with different porosities and pore sizes. The porosity and pore size were changed systematically. To consider the soot filtration, the particle-laden flow was simulated by a lattice Boltzmann method (LBM). Then, the flow field and the pressure change were discussed during the filtration process.
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Special Issue “50th Anniversary of the Kohn–Sham Theory—Advances in Density Functional Theory”*Computation* **2016**, *4*(4), 45; doi:10.3390/computation4040045 - 22 November 2016**Abstract **

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The properties of many materials at the atomic scale depend on the electronic structure, which requires a quantum mechanical treatment. The most widely used approach to make such a treatment feasible is density functional theory (DFT), the advances in which were presented and

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The properties of many materials at the atomic scale depend on the electronic structure, which requires a quantum mechanical treatment. The most widely used approach to make such a treatment feasible is density functional theory (DFT), the advances in which were presented and discussed during the DFT conference in Debrecen. Some of these issues are presented in this Special Issue.
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Mathematical Model of a Lithium-Bromide/Water Absorption Refrigeration System Equipped with an Adiabatic Absorber*Computation* **2016**, *4*(4), 44; doi:10.3390/computation4040044 - 17 November 2016**Abstract **

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The objective of this paper is to develop a mathematical model for thermodynamic analysis of an absorption refrigeration system equipped with an adiabatic absorber using a lithium-bromide/water (LiBr/water) pair as the working fluid. The working temperature of the generator, adiabatic absorber, condenser, evaporator,

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The objective of this paper is to develop a mathematical model for thermodynamic analysis of an absorption refrigeration system equipped with an adiabatic absorber using a lithium-bromide/water (LiBr/water) pair as the working fluid. The working temperature of the generator, adiabatic absorber, condenser, evaporator, the cooling capacity of the system, and the ratio of the solution mass flow rate at the circulation pump to that at the solution pump are used as input data. The model evaluates the thermodynamic properties of all state points, the heat transfer in each component, the various mass flow rates, and the coefficient of performance (COP) of the cycle. The results are used to investigate the effect of key parameters on the overall performance of the system. For instance, increasing the generator temperatures and decreasing the adiabatic absorber temperatures can increase the COP of the cycle. The results of this mathematical model can be used for designing and sizing new LiBr/water absorption refrigeration systems equipped with an adiabatic absorber or for optimizing existing aforementioned systems.
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A Theoretical Study of One- and Two-Photon Activity of D-Luciferin*Computation* **2016**, *4*(4), 43; doi:10.3390/computation4040043 - 17 November 2016**Abstract **

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In the present work, we have theoretically studied the one and two-photon absorption (OPA and TPA) probabilities of the native D-luciferin molecule and attempted to find the origin of its larger TPA cross-sections in polar solvents than in non-polar ones. The calculations using

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In the present work, we have theoretically studied the one and two-photon absorption (OPA and TPA) probabilities of the native D-luciferin molecule and attempted to find the origin of its larger TPA cross-sections in polar solvents than in non-polar ones. The calculations using state-of-the-art linear and quadratic response theory in the framework of time-dependent density functional theory using hybrid B3LYP functional and cc-pVDZ basis set suggests that two-photon transition probability of this molecule increases with increasing solvent polarity. In order to explicate our present findings, we employed the generalized few-state-model and inspected the role of different optical channels related to the TPA process. We have found that the two-photon transition probability is always guided by a destructive interference term, the magnitude of which decreases with increasing solvent polarity. Furthermore, we have evaluated OPA parameters of D-luciferin and noticed that the the excitation energy is in very good agreement with the available experimental results.
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A Mathematical Spline-Based Model of Cardiac Left Ventricle Anatomy and Morphology*Computation* **2016**, *4*(4), 42; doi:10.3390/computation4040042 - 27 October 2016**Abstract **

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Computer simulation of normal and diseased human heart activity requires a 3D anatomical model of the myocardium, including myofibers. For clinical applications, such a model has to be constructed based on routine methods of cardiac visualization, such as sonography. Symmetrical models are shown

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Computer simulation of normal and diseased human heart activity requires a 3D anatomical model of the myocardium, including myofibers. For clinical applications, such a model has to be constructed based on routine methods of cardiac visualization, such as sonography. Symmetrical models are shown to be too rigid, so an analytical non-symmetrical model with enough flexibility is necessary. Based on previously-made anatomical models of the left ventricle, we propose a new, much more flexible spline-based analytical model. The model is fully described and verified against DT-MRI data. We show a way to construct it on the basis of sonography data. To use this model in further physiological simulations, we propose a numerical method to utilize finite differences in solving the reaction-diffusion problem together with an example of scroll wave dynamics simulation.
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Evaluation of External Memory Access Performance on a High-End FPGA Hybrid Computer*Computation* **2016**, *4*(4), 41; doi:10.3390/computation4040041 - 25 October 2016**Abstract **

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The motivation of this research was to evaluate the main memory performance of a hybrid super computer such as the Convey HC-x, and ascertain how the controller performs in several access scenarios, vis-à-vis hand-coded memory prefetches. Such memory patterns are very useful in

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The motivation of this research was to evaluate the main memory performance of a hybrid super computer such as the Convey HC-x, and ascertain how the controller performs in several access scenarios, vis-à-vis hand-coded memory prefetches. Such memory patterns are very useful in stencil computations. The theoretical bandwidth of the memory of the Convey is compared with the results of our measurements. The accurate study of the memory subsystem is particularly useful for users when they are developing their application-specific personality. Experiments were performed to measure the bandwidth between the coprocessor and the memory subsystem. The experiments aimed mainly at measuring the reading access speed of the memory from Application Engines (FPGAs). Different ways of accessing data were used in order to find the most efficient way to access memory. This way was proposed for future work in the Convey HC-x. When performing a series of accesses to memory, non-uniform latencies occur. The Memory Controller of the Convey HC-x in the coprocessor attempts to cover this latency. We measure memory efficiency as a ratio of the number of memory accesses and the number of execution cycles. The result of this measurement converges to one in most cases. In addition, we performed experiments with hand-coded memory accesses. The analysis of the experimental results shows how the memory subsystem and Memory Controllers work. From this work we conclude that the memory controllers do an excellent job, largely because (transparently to the user) they seem to cache large amounts of data, and hence hand-coding is not needed in most situations.
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A Multi-Compartment Hybrid Computational Model Predicts Key Roles for Dendritic Cells in Tuberculosis Infection*Computation* **2016**, *4*(4), 39; doi:10.3390/computation4040039 - 21 October 2016**Abstract **

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Tuberculosis (TB) is a world-wide health problem with approximately 2 billion people infected with *Mycobacterium tuberculosis* (Mtb, the causative bacterium of TB). The pathologic hallmark of Mtb infection in humans and Non-Human Primates (NHPs) is the formation of spherical structures, primarily in lungs,

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Tuberculosis (TB) is a world-wide health problem with approximately 2 billion people infected with *Mycobacterium tuberculosis* (Mtb, the causative bacterium of TB). The pathologic hallmark of Mtb infection in humans and Non-Human Primates (NHPs) is the formation of spherical structures, primarily in lungs, called granulomas. Infection occurs after inhalation of bacteria into lungs, where resident antigen-presenting cells (APCs), take up bacteria and initiate the immune response to Mtb infection. APCs traffic from the site of infection (lung) to lung-draining lymph nodes (LNs) where they prime T cells to recognize *Mtb*. These T cells, circulating back through blood, migrate back to lungs to perform their immune effector functions. We have previously developed a hybrid agent-based model (ABM, labeled *GranSim*) describing in silico immune cell, bacterial (Mtb) and molecular behaviors during tuberculosis infection and recently linked that model to operate across three physiological compartments: lung (infection site where granulomas form), lung draining lymph node (LN, site of generation of adaptive immunity) and blood (a measurable compartment). Granuloma formation and function is captured by a spatio-temporal model (i.e., ABM), while LN and blood compartments represent temporal dynamics of the whole body in response to infection and are captured with ordinary differential equations (ODEs). In order to have a more mechanistic representation of APC trafficking from the lung to the lymph node, and to better capture antigen presentation in a draining LN, this current study incorporates the role of dendritic cells (DCs) in a computational fashion into *GranSim*. **Results**: The model was calibrated using experimental data from the lungs and blood of NHPs. The addition of DCs allowed us to investigate in greater detail mechanisms of recruitment, trafficking and antigen presentation and their role in tuberculosis infection. **Conclusion**: The main conclusion of this study is that early events after Mtb infection are critical to establishing a timely and effective response. Manipulating CD8+ and CD4+ T cell proliferation rates, as well as DC migration early on during infection can determine the difference between bacterial clearance vs. uncontrolled bacterial growth and dissemination.
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Obituary for Walter Kohn (1923–2016)*Computation* **2016**, *4*(4), 40; doi:10.3390/computation4040040 - 20 October 2016**Abstract **
Walter Kohn (Figure 1) is one of the most cited scientists of our time, who died on 19 April 2016 in Santa Barbara, CA, USA. [...]
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