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See detailComputational environment for the design of flexible mechanisms with feedback control
Bruls, Olivier ULg; Duysinx, Pierre ULg; Golinval, Jean-Claude ULg

in Proceeding of 6th National Congress on theorical and Applied Mechanics (2003, May)

In this article, numerical methods are exploited for the design of mechatronic systems. A method is presented for the simulation of a flexible mechanism subject to the action of a digital control system ... [more ▼]

In this article, numerical methods are exploited for the design of mechatronic systems. A method is presented for the simulation of a flexible mechanism subject to the action of a digital control system. In the context of model-based control, reduction techniques of mechanical models are also discussed. [less ▲]

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See detailComputational Fluid Mechanics for Civil Engineering Applications
Terrapon, Vincent ULg

Scientific conference (2012, May 23)

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See detailComputational Hemodynamics Coupled with Mechanical Behaviour of the Surrounded Materials, in the Specific Case of the Brachial Artery
Paulus, Raphaël ULg; Erpicum, Sébastien ULg; Dewals, Benjamin ULg et al

in Proceedings of Biomed 2009 - Eighth International Conference on Modelling in Medicine and Biology (2009)

Detailed reference viewed: 36 (11 ULg)
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See detailComputational Homogenization for Laminated Ferromagnetic Cores in Magnetodynamics
Niyonzima, Innocent ULg; V Sabariego, Ruth; Dular, Patrick ULg et al

in IEEE Transactions on Magnetics (2013), 49(5), 2049-2052

In this paper, we investigate the modeling of ferromagnetic multiscale materials. We propose a computational homogenization technique based on the heterogeneous multiscale method (HMM) that includes both ... [more ▼]

In this paper, we investigate the modeling of ferromagnetic multiscale materials. We propose a computational homogenization technique based on the heterogeneous multiscale method (HMM) that includes both eddy-current and hysteretic losses at the mesoscale. The HMM comprises: 1) a macroscale problem that captures the slow variations of the overall solution; 2) many mesoscale problems that allow to determine the constitutive law at the macroscale. As application example, a laminated iron core is considered. [less ▲]

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See detailComputational Homogenization for Laminated Ferromagnetic Cores in Magnetodynamics
Niyonzima, Innocent ULg; Vazquez Sabariego, Ruth ULg; Henrotte, François et al

in Proceedings of the 15th Biennial IEEE Conference on Electromagnetic Field Computation (CEFC2012) (2012, November)

In this paper, we investigate the modeling of fer- romagnetic multiscale materials. We propose a computational homogenization method based on the heterogeneous multiscale method (HMM) that includes eddy ... [more ▼]

In this paper, we investigate the modeling of fer- romagnetic multiscale materials. We propose a computational homogenization method based on the heterogeneous multiscale method (HMM) that includes eddy currents and hysteretic losses at the mesoscale. The HMM comprises: 1) a macroscale problem that captures the slow variations of the overall solution; 2) many microscale problems that allow to determine the constitutive law at the macroscale. As application example, a laminated iron core is considered. [less ▲]

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See detailA Computational Homogenization Method for the Evaluation of Eddy Current in Nonlinear Soft Magnetic Composites
Niyonzima, Innocent ULg; Vazquez Sabariego, Ruth ULg; Dular, Patrick ULg et al

in Proceeding of the 9th International Symposium on Electric and Magnetic Fields, EMF 2013 (2013, April 23)

The use of the soft magnetic composite (SMC) in electric devices has increased in recent years. These materials made from a metallic powder compacted with a dielectric binder are a good alternative to ... [more ▼]

The use of the soft magnetic composite (SMC) in electric devices has increased in recent years. These materials made from a metallic powder compacted with a dielectric binder are a good alternative to laminated ferromagnetic structures as their granular mesoscale structure allows to significantly reduce the eddy current losses. Furthermore unlike the laminated ferromagnetic structures, SMC exhibit isotropic magnetic properties what makes them good candidates for manufacturing machines with 3D flux paths. The isotropy of the thermal conductivity also allows for a more efficient heat dissipation. The use of classical numerical methods such as the finite element method to study the behavior of SMC is computational very expensive. Indeed a very fine mesh would be required in order to capture fine scale variations i.e. variations at level of metallic grains whence the use of multiscale methods for modelling SMC. The application of multiscale method to study the behaviour of SMC is relatively recent. In (A. Bordianu et al “A Multiscale Approach to Predict Classical Losses in Soft Magnetic Composites”, IEEE Trans. Mag., vol. 48, no. 4, 2012.), the authors used a homogenization technique to compute electrical and magnetic constitutive laws on a representative volume element (RVE). These laws were then used in finite element computations. Herein, the RVE has been chosen to account for the grain- grain contact that can occur in a actual SMC structure due to the compaction process and that can lead to the appearance of macroscale eddy currents. In this paper, we will extend the computational homogenization method success- fully used for modelling the behaviour of laminated ferromagnetic cores in mag- netodynamics (I. Niyonzima et al “Computational Homogenization for Laminated Ferromagnetic Cores in Magnetodynamics”, in Proc. of the 15th Biennal Confer- ence on Electromagnetic Field Computation, 2012) to the case of SMC. The method is based on the heterogeneous multiscale method (HMM) and couples two types of problems: a macroscale problem that captures the slow variations of the overall so- lution and many microscale problems that allow to determine the constitutive laws at the macroscale. The choice of RVE will also be discussed. [less ▲]

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See detailComputational Identification of Non-Linear Damping in an Aeroelastic System
Vio, Gareth A.; Dimitriadis, Grigorios ULg

in Proceedings of the 53rd AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference (2012, April 23)

An energy-based method is proposed to identify damping parameters from time histories of responses to sets of single-frequency harmonic excitation. The method is intended to be practically applicable to ... [more ▼]

An energy-based method is proposed to identify damping parameters from time histories of responses to sets of single-frequency harmonic excitation. The method is intended to be practically applicable to real structures and is able to identify the value of viscous damping, Coulomb friction and eventually other forms of non-linear damping models in aeroelastic systems. The inputs required are simply the accelerometer signals and the forces applied. It will be shown that if the system is undergoing Limit Cycle Oscillations, no external force is required for the identification process. [less ▲]

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See detailComputational investigation and experimental considerations for the classical implementation of a full adder on SO2 by optical pump-probe schemes
Bomble, L.; Lavorel, B.; Remacle, Françoise ULg et al

in Journal of Chemical Physics (2008), 128(19),

Following the scheme recently proposed by Remacle and Levine [Phys. Rev. A 73, 033820 (2006)], we investigate the concrete implementation of a classical full adder on two electronic states ((X) over tilde ... [more ▼]

Following the scheme recently proposed by Remacle and Levine [Phys. Rev. A 73, 033820 (2006)], we investigate the concrete implementation of a classical full adder on two electronic states ((X) over tilde (1)A(1) and (C) over tilde B-1(2)) of the SO2 molecule by optical pump-probe laser pulses using intuitive and counterintuitive (stimulated Raman adiabatic passage) excitation schemes. The resources needed for providing the inputs and reading out are discussed, as well as the conditions for achieving robustness in both the intuitive and counterintuitive pump-dump sequences. The fidelity of the scheme is analyzed with respect to experimental noise and two kinds of perturbations: The coupling to the neighboring rovibrational states and a finite rotational temperature that leads to a mixture for the initial state. It is shown that the logic processing of a full addition cycle can be realistically experimentally implemented on a picosecond time scale while the readout takes a few nanoseconds. (c) 2008 American Institute of Physics. [less ▲]

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See detailComputational Methods for Multiple Scattering at High Frequency with Applications to Periodic Structure Calculations
Antoine, X.; Geuzaine, Christophe ULg; Ramdani, K.

in Ehrhardt, M. (Ed.) Wave Propagation in Periodic Media - Analysis, Numerical Techniques and practical Applications (2010)

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See detailComputational modeling in tissue engineering
Geris, Liesbet ULg

Book published by Springer - 1 (2013)

One of the major challenges in tissue engineering is the translation of biological knowledge on complex cell and tissue behavior into a predictive and robust engineering process. Mastering this complexity ... [more ▼]

One of the major challenges in tissue engineering is the translation of biological knowledge on complex cell and tissue behavior into a predictive and robust engineering process. Mastering this complexity is an essential step towards clinical applications of tissue engineering. This volume discusses computational modeling tools that allow studying the biological complexity in a more quantitative way. More specifically, computational tools can help in: (i) quantifying and optimizing the tissue engineering product, e.g. by adapting scaffold design to optimize micro-environmental signals or by adapting selection criteria to improve homogeneity of the selected cell population; (ii) quantifying and optimizing the tissue engineering process, e.g. by adapting bioreactor design to improve quality and quantity of the final product; and (iii) assessing the influence of the in vivo environment on the behavior of the tissue engineering product, e.g. by investigating vascular ingrowth. The book presents examples of each of the above mentioned areas of computational modeling. The underlying tissue engineering applications will vary from blood vessels over trachea to cartilage and bone. For the chapters describing examples of the first two areas, the main focus is on (the optimization of) mechanical signals, mass transport and fluid flow encountered by the cells in scaffolds and bioreactors as well as on the optimization of the cell population itself. In the chapters describing modeling contributions in the third area, the focus will shift towards the biology, the complex interactions between biology and the micro-environmental signals and the ways in which modeling might be able to assist in investigating and mastering this complexity. The chapters cover issues related to (multiscale/multiphysics) model building, training and validation, but also discuss recent advances in scientific computing techniques that are needed to implement these models as well as new tools that can be used to experimentally validate the computational results. [less ▲]

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See detailComputational modelling of biomaterial surface interactions with blood platelets and osteoblastic cells for the prediction of contact osteogenesis.
Amor, N.; Geris, Liesbet ULg; Vander Sloten, J. et al

in Acta Biomaterialia (2011), 7(2), 779-90

Surface microroughness can induce contact osteogenesis (bone formation initiated at the implant surface) around oral implants, which may result from different mechanisms, such as blood platelet ... [more ▼]

Surface microroughness can induce contact osteogenesis (bone formation initiated at the implant surface) around oral implants, which may result from different mechanisms, such as blood platelet-biomaterial interactions and/or interaction with (pre-)osteoblast cells. We have developed a computational model of implant endosseous healing that takes into account these interactions. We hypothesized that the initial attachment and growth factor release from activated platelets is crucial in achieving contact osteogenesis. In order to investigate this, a computational model was applied to an animal experiment [7] that looked at the effect of surface microroughness on endosseous healing. Surface-specific model parameters were implemented based on in vitro data (Lincks et al. Biomaterials 1998;19:2219-32). The predicted spatio-temporal patterns of bone formation correlated with the histological data. It was found that contact osteogenesis could not be predicted if only the osteogenic response of cells was up-regulated by surface microroughness. This could only be achieved if platelet-biomaterial interactions were sufficiently up-regulated as well. These results confirmed our hypothesis and demonstrate the added value of the computational model to study the importance of surface-mediated events for peri-implant endosseous healing. [less ▲]

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See detailComputational modelling of calcium mediated bone regeneration
Carlier, Aurélie ULg; Chai, Yoke Chin; Theys, Tina et al

Poster (2010, November 26)

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See detailComputational modelling of peri-implant bone healing considering cell-biomaterial interactions
Amor, Nadya; Geris, Liesbet ULg; Vander Sloten, Jos et al

in Arbor, Ann (Ed.) Proceedings of the North American Congress on Biomechanics (2008)

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See detailComputational modelling of peri-implant healing
Amor, Nadia; Geris, Liesbet ULg; Vander Sloten, Jos et al

in Middleton, J.; Jones, M. L.; Shrive, N. (Eds.) Proceedings of the 8th interantional symposium on Computer Methods in Biomechanics and Biomedical Engineering (2008)

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See detailComputational Study Of Colipase Interaction With Lipid Droplets And Bile Salt Micelles
Kerfelec, Brigitte; Allouche, Maya; Colin, Damien et al

in Proteins-Structure Function and Bioinformatics (2008), 73(4), 828-38

Colipase is a key element in the lipase-catalyzed hydrolysis of dietary lipids. Although devoid of enzymatic activity, colipase promotes the pancreatic lipase activity in physiological intestinal ... [more ▼]

Colipase is a key element in the lipase-catalyzed hydrolysis of dietary lipids. Although devoid of enzymatic activity, colipase promotes the pancreatic lipase activity in physiological intestinal conditions by anchoring the enzyme at the surface of lipid droplets. Analysis of structures of NMR colipase models and simulations of their interactions with various lipid aggregates, lipid droplet, and bile salt micelle, were carried out to determine and to map the lipid binding sites on colipase. We show that the micelle and the oil droplet bind to the same side of colipase 3D structure, mainly the hydrophobic fingers. Moreover, it appears that, although colipase has a single direction of interaction with a lipid interface, it does not bind in a specific way but rather oscillates between different positions. Indeed, different NMR models of colipase insert different fragments of sequence in the interface, either simultaneously or independently. This supports the idea that colipase finger plasticity may be crucial to adapt the lipase activity to different lipid aggregates. [less ▲]

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See detailComputational Study Of Lipid-Destabilizing Protein Fragments: Towards A Comprehensive View Of Tilted Peptides
Lins, Laurence ULg; Charloteaux, Benoît ULg; Thomas, Annick ULg et al

in Proteins-Structure Function and Genetics (2001), 44(4), 435-47

Tilted peptides are short sequence fragments (10-20 residues long) that possess an asymmetric hydrophobicity gradient along their sequence when they are helical. Due to this gradient, they adopt a tilted ... [more ▼]

Tilted peptides are short sequence fragments (10-20 residues long) that possess an asymmetric hydrophobicity gradient along their sequence when they are helical. Due to this gradient, they adopt a tilted orientation towards a single lipid/water interface and destabilize the lipids. We have detected those peptides in many different proteins with various functions. While being all tilted-oriented at a single lipid/water interface, no consensus sequence can be evidenced. In order to better understand the relationships between their lipid-destabilizing activity and their properties, we used IMPALA to classify the tilted peptides. This method allows the study of interactions between a peptide and a modeled lipid bilayer using simple restraint functions designed to mimic some of the membrane properties. We predict that tilted peptides have access to a wide conformational space in membranes, in contrast to transmembrane and amphipathic helices. In agreement with previous studies, we suggest that those metastable configurations could lead to the perturbation of the acyl chains organization and could be a general mechanism for lipid destabilization. Our results further suggest that tilted peptides fall into two classes: those from proteins acting on membrane behave differently than destabilizing fragments from interfacial proteins. While the former have equal access to the two layers of the membrane, the latter are confined within a single lipid layer. This could be in relation with the organization of lipid substrate on which the peptides physiologically act. [less ▲]

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See detailComputational Study Of Nisin Interaction With Model Membrane
Lins, Laurence ULg; Ducarme, P.; Breukink, E. et al

in Biochimica et Biophysica Acta-Biomembranes (1999), 1420(1-2), 111-20

Nisin is a 34-residue lantibiotic widely used as food preservative. Its mode of action on the bacterial cytoplasmic membrane is unclear. It should form ion channels but a molecular description of the ... [more ▼]

Nisin is a 34-residue lantibiotic widely used as food preservative. Its mode of action on the bacterial cytoplasmic membrane is unclear. It should form ion channels but a molecular description of the interaction between nisin and phospholipids is lacking. The interactions between nisin and a membrane and the influence of phospholipids are here analysed by molecular modelling. The NMR structures of nisin in a micellar environment were previously determined (Van den Hooven et al., Eur. J. Biochem. 235 (1996) 382-393) Those structures were used to start with. They were refined by running a Monte Carlo procedure at a model lipid/water interface. It was shown that nisin is adsorbing onto the interface, with its N-terminal moiety more deeply inserted in lipids than the C-end, indicating distinct hydrophobic properties of the N- and C-domains. Therefore, we suggest that the N-terminal part is implied in the insertion of nisin in lipids, while the C-terminal moiety could be involved in the initial interaction with the membrane surface. Modelling the interaction of nisin with different neutral or anionic phospholipids shows that it disturbs the lipid organisation. The disturbance is maximal with phosphatidylglycerol. In this system, nisin curves the surface of phosphatidylglycerol layer round suggesting it could induce micelle formation. This could be a preliminary step to pore formation. It suggests that phosphatidylglycerol could have a direct action on nisin insertion and on ion channel formation. Appearance of a curvature also agrees with the 'wedge model' proposed in the literature for the nisin pore formation. [less ▲]

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See detailComputational study of the error distribution in right-censored and selection-biased regression models
Laurent, Géraldine ULg; Heuchenne, Cédric ULg

Conference (2010, May 18)

Consider the regression model Y = m(X) + σ(X) Ɛ where m(X) =E [Y|X] and σ²(X) = Var [Y|X] are unknown smooth functions and the error Ɛ, with unknown distribution, is independent of X. The pair (X,Y) is ... [more ▼]

Consider the regression model Y = m(X) + σ(X) Ɛ where m(X) =E [Y|X] and σ²(X) = Var [Y|X] are unknown smooth functions and the error Ɛ, with unknown distribution, is independent of X. The pair (X,Y) is subject to generalized selection bias and the response to right censoring. We construct a new estimator for the cumulative distribution function of the error Ɛ, and develop a bootstrap technique to select the smoothing parameter involved in the procedure. The estimator is studied via extended simulations and applied to real unemployment data. [less ▲]

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See detailComputational toxicology: Physiologically based pharmacokinetic models (PBPK) for lifetime exposure and bioaccumulation of polybrominated dephenyl ethers (PBDEs) in marine mammals
Weijs, Liesbeth; Covaci, Adrian; Yang, Raymond S H et al

in Environmental Pollution (2012)

Due to migration of harbour porpoises towards more polluted areas like the North Sea and their sensitivity towards pollution, there is a need for proper conservation measures for this species. As a ... [more ▼]

Due to migration of harbour porpoises towards more polluted areas like the North Sea and their sensitivity towards pollution, there is a need for proper conservation measures for this species. As a consequence, knowledge about the pollutant’s kinetics is required. The present study is the first to investigate the kinetics of PBDEs in marine mammals using PBPK modeling as a non-destructive tool for describing the chemical’s kinetics in a protected animal species. The models were developed and parameterized using data from the literature and Black Sea harbour porpoises through computer opti- mization. The predictability of these models in time was assessed by reverse dosimetry modeling using data from North Sea porpoises (1990e2008). From these predictions, PBDE 99 levels were found to decrease the fastest, followed by PBDE 153, 47 and 100. Results show that the PBPK models can be applied for harbour porpoises from different regions and also simulate time trends. [less ▲]

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See detailComputational treatment of the error distribution in nonparametric regression with right-censored and selection-biased data
Laurent, Géraldine ULg; Heuchenne, Cédric ULg

Conference (2010, August 24)

Consider the regression model Y = m(X) + σ(X) Ɛ , where m(X) = E[Y|X] and σ²(X) = Var[Y|X] are unknown smooth functions and the error Ɛ (with unknown distribution) is independent of X. The pair (X;Y) is ... [more ▼]

Consider the regression model Y = m(X) + σ(X) Ɛ , where m(X) = E[Y|X] and σ²(X) = Var[Y|X] are unknown smooth functions and the error Ɛ (with unknown distribution) is independent of X. The pair (X;Y) is subject to generalized selection bias and the response to right censoring. We construct a new estimator for the cumulative distribution function of the error Ɛ , and develop a bootstrap technique to select the smoothing parameter involved in the procedure. The estimator is studied via extended simulations and applied to real unemployment data. [less ▲]

Detailed reference viewed: 7 (3 ULg)