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See detailModeling of Dendritic Cell-based vaccination Immunotherapy using Artificial Neural Networks
Mehrian, Mohammad ULg; Arabameri, Abazar; Sedghi, Alireza et al

in Modeling of Dendritic Cell-based vaccination Immunotherapy using Artificial Neural Networks (2013)

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See detailModeling of elasto-viscoplastic behaviour of steels at high temperatures
Charles, J. F.; Habraken, Anne ULg; Lecomte-Beckers, Jacqueline ULg

in Baajens; Huetink (Eds.) Proceedings of Simulation of Materials Processing, Methods and Applications. Esaform (1998)

Hot compression tests at constant strain rate and temperature allow to reach stress-strain curves. These experimental data are then used to calibrate a Norton Hoff elastoviscoplastic model (Gavrus ... [more ▼]

Hot compression tests at constant strain rate and temperature allow to reach stress-strain curves. These experimental data are then used to calibrate a Norton Hoff elastoviscoplastic model (Gavrus & Massoni 1995). The implementation of this model (Habraken et al. 1997) in the large strain non linear finite element code LAGAMINE is summarised in this paper. Then finite element thermo-mechanical analysis of previous compression tests and independant ones are performed to validate the produced material constitutive model. These simulations give the stress, strain rate and temperature fields of the sample, necessary to predict recrystallisation phenomena. A summary of the recrystallisation models proposed by the literature as well as the simple one implemented in the LAGAMINA code will be presented. So experimental, numerical and metallographic studies of hot compression tests aim the definition of an accurate predictive thermo-mechanic metallurgical model able to simulate forging processes. [less ▲]

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See detailModeling of Electro-mechanical coupling in MEMS
Rochus, Véronique ULg; Duysinx, Pierre ULg; Golinval, Jean-Claude ULg

Scientific conference (2002)

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See detailModeling of Electro-Mechanical Coupling Problem using the Finite Element Formulation
Rochus, Véronique ULg; Rixen, Daniel J.; Golinval, Jean-Claude ULg

Conference given outside the academic context (2003)

A modeling procedure is proposed to handle strong electro-mechanical coupling appearing in micro-electromechanical systems (MEMS). The finite element method is used to discretize simultaneously the ... [more ▼]

A modeling procedure is proposed to handle strong electro-mechanical coupling appearing in micro-electromechanical systems (MEMS). The finite element method is used to discretize simultaneously the electrostatic and mechanical fields. The formulation is consistently derived from variational principles based on the electromechanical free energy. In classical weakly coupled formulations staggered iteration is used between the electrostatic and the mechanical domain. Therefore, in those approaches, linear stiffness is evaluated by finite differences and equilibrium is reached typically by relaxation techniques. The strong coupling formulation presented here allows to derive exact tangent matrices of the electro-mechanical system. Thus it allows to compute non-linear equilibrium positions using Newton-Raphson type of iterations combined with adaptive meshing in case of large displacements. Furthermore, the tangent matrix obtained in the method exposed in this paper greatly simplifies the computation of vibration modes and frequencies of the cou pled system around equilibrium configurations. The non-linear variation of frequencies with respect to voltage and stiffness can be then be investigated until pull-in appears. In order to illustrate the effectiveness of the proposed formulation numerical results are shown first for the reference problem of a simple flexible capacitor, then for the model of a micro-bridge. [less ▲]

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See detailModeling of Electromagnetic Systems by Coupling of Subproblems – Application to Thin Shell Finite Element Magnetic Models
Dang, Quoc Vuong ULg

Doctoral thesis (2013)

The direct application of the finite element method to realistic electromagnetic problems is challenging, especially when modeling structures with thin conductive and/or magnetic parts. This work presents ... [more ▼]

The direct application of the finite element method to realistic electromagnetic problems is challenging, especially when modeling structures with thin conductive and/or magnetic parts. This work presents a subproblem method for correcting the inaccuracies inherent to classical thin shell models, and to efficiently handle geometrical and material variations in parametric studies. [less ▲]

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See detailModeling of Excavation Damaged Zone through the strain localization approach in Boom clay
Salehnia, Fatemeh ULg; Charlier, Robert ULg; Sillen, Xavier et al

in Proceedings of the 14th Int. Conference of International Association for Computer Methods and Recent Advances in Geomechanics, IACMAG 2014 (2014)

Detailed reference viewed: 53 (28 ULg)
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See detailModeling of InSAR displacements related with the January 2002 eruption of Nyiragongo volcano
Wauthier, Christelle ULg; Cayol, Valérie; Kervyn, François et al

in ECGS Blue Books (2010)

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See detailModeling of joints with clearance and friction in multibody dynamic simulation of automotive differentials
Virlez, Geoffrey ULg; Bruls, Olivier ULg; Tromme, Emmanuel ULg et al

in Theoretical and Applied Mechanics Letters (2013), 3(1), 013003

Defects in kinematic joints can sometimes highly influence the simulation response of the whole multibody system within which these joints are included. For instance, the clearance, the friction, the ... [more ▼]

Defects in kinematic joints can sometimes highly influence the simulation response of the whole multibody system within which these joints are included. For instance, the clearance, the friction, the lubrication and the flexibility affect the transient behaviour, reduce the component life and produce noise and vibration for classical joints such as prismatics, cylindrics or universal joints. In this work, a new 3D cylindrical joint model which accounts for the clearance, the misalignment and the friction is presented. This formulation has been used to represent the link between the planet gears and the planet carrier in an automotive differential model. [less ▲]

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See detailModeling of ligand induced changes in the magneto-structural properties of Pd13 cluster
Fresch, Barbara ULg; Remacle, Françoise ULg

Poster (2012)

Palladium nanostructures are widely used as catalyst of many organic reactions1 and present intriguing and controversial magnetic properties. Since the direct experimental determination of ground state ... [more ▼]

Palladium nanostructures are widely used as catalyst of many organic reactions1 and present intriguing and controversial magnetic properties. Since the direct experimental determination of ground state structure for small transition metal clusters is difficult, theory and first-principles calculations, such as density functional theory (DFT), have been used extensively to reveal the interplay between geometric and electronic structure. We present a theoretical study at the DFT/B3LYP level on three selected geometric arrangements for the Pd13 cluster with particular emphasis on the effects of thiolate and phosphine based ligands on their magneto-structural properties. The results point out that the interactions with ligands can change the relative stability of different structures of the metallic core, leading to the stabilization of the more compact icosahedral shape with respect to other bi-layer structures which are more stable in the free standing cluster. Beyond this structural evolution, the interactions with the ligand shell strongly modify also the electronic and magnetic properties of the metal core. In particular, both thiolate and phosphine ligands quench the high spin state that characterized the magnetic ground state of the bare Pd13 cluster, but while the interaction with phosphine quench the magnetic moment completely, the thiol-capped particles retain a permanent magnetic moment even when they are saturated by the ligand molecules. Our study suggests that different ligands can be effectively used to tune electronic and magnetic properties of Pd nanoparticles in view of the design and experimental realization of logic nano devices and intelligent sensors. [less ▲]

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See detailModeling of Mass-Transfer Induced Instabilities at Liquid-Liquid Interfaces
Miroshnichenko, S; Pfennig, Andreas ULg

in ISEC - International Solvent Extraction Conference 2008 : Tucson 16-19 septembre 2008 (2008)

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See detailModeling of non-covalent complexes of the cell-penetrating peptide CADY and its siRNA cargo
Crowet, Jean-Marc ULg; Lins, Laurence ULg; Deshayes, Sébastien et al

in European Biophysics Journal [=EBJ] (2013), 42(S1), 63

CADY is a cell-penetrating peptide spontaneously making non-covalent complexes with short interfering RNAs (siRNAs) in water. Neither the structure of CADY nor that of the complexes is resolved. We have ... [more ▼]

CADY is a cell-penetrating peptide spontaneously making non-covalent complexes with short interfering RNAs (siRNAs) in water. Neither the structure of CADY nor that of the complexes is resolved. We have calculated and analyzed 3D models of CADY and of the non-covalent CADY–siRNA complexes in order to understand their formation and stabilization. Data from the ab initio calculations and molecular dynamics support that, in agreement with the experimental data, CADY is a polymorphic peptide partly helical. We calculated and compared several complexes with peptide/siRNA ratios of up to 40. The initial binding of CADYs is essentially due to the electrostatic interactions of the arginines with siRNA phosphates. Due to a repetitive arginine motif (XLWR(K)), CADYs can adopt multiple positions at the siRNA surface. Nevertheless, several complex properties are common: an average of 14 ± 1 CADYs is required to saturate a siRNA. The 40 CADYs/siRNA that is the optimal ratio for vector stability always corresponds to two layers of CADYs per siRNA and the peptide cage is stabilized by hydrophobic CADY–CADY contacts. The analysis demonstrates that the hydrophobicity, the positive charges and the polymorphism of CADY are mandatory to make stable the CADY–siRNA complexes. [less ▲]

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See detailModeling of non-covalent complexes of the cell-penetrating peptide CADY and its siRNA cargo.
Crowet, Jean-Marc ULg; Lins, Laurence ULg; Deshayes, Sebastien et al

in Biochimica et Biophysica Acta (2012)

CADY is a cell-penetrating peptide spontaneously making non-covalent complexes with siRNAs in water. Neither the structure of CADY nor that of the complexes is resolved. We have calculated and analyzed 3D ... [more ▼]

CADY is a cell-penetrating peptide spontaneously making non-covalent complexes with siRNAs in water. Neither the structure of CADY nor that of the complexes is resolved. We have calculated and analyzed 3D models of CADY and of the non-covalent CADY-siRNA complexes in order to understand their formation and stabilization. Data from the ab initio calculations and molecular dynamics support that, in agreement with the experimental data, CADY is a polymorphic peptide partly helical. Taking into consideration the polymorphism of CADY, we calculated and compared several complexes with peptide/siRNA ratios of up to 40. Four complexes were run by using molecular dynamics. The initial binding of CADYs is essentially due to the electrostatic interactions of the arginines with siRNA phosphates. Due to a repetitive arginine motif (XLWR(K)) in CADY and to the numerous phosphate moieties in the siRNA, CADYs can adopt multiple positions at the siRNA surface leading to numerous possibilities of complexes. Nevertheless, several complex properties are common: an average of 14+/-1 CADYs is required to saturate a siRNA as compared to the 12+/-2 CADYs experimentally described. The 40 CADYs/siRNA that is the optimal ratio for vector stability always corresponds to two layers of CADYs per siRNA. When siRNA is covered by the first layer of CADYs, the peptides still bind despite the electrostatic repulsion. The peptide cage is stabilized by hydrophobic CADY-CADY contacts thanks to CADY polymorphism. The analysis demonstrates that the hydrophobicity, the presence of several positive charges and the disorder of CADY are mandatory to make stable the CADY-siRNA complexes. [less ▲]

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See detailModeling of Pulverized Coal Combustion in Cement Rotary Kiln
Wang, Shijie; Lu, Jidong; Li, Weijie et al

in Energy & Fuels (2006), 20

In this paper, based on analysis of the chemical and physical processes of clinker formation, a heat flux function was introduced to take account of the thermal effect of clinker formation. Combining the ... [more ▼]

In this paper, based on analysis of the chemical and physical processes of clinker formation, a heat flux function was introduced to take account of the thermal effect of clinker formation. Combining the models of gas-solid flow, heat and mass transfer, and pulverized coal combustion, a set of mathematical models for a full-scale cement rotary kiln were established. In terms of commercial CFD code (FLUENT), the distributions of gas velocity, gas temperature, and gas components in a cement rotary kiln were obtained by numerical simulation of a 3000 t/d rotary kiln with a four-channel burner. The predicted results indicated that the improved model accounts for the thermal enthalpy of the clinker formation process and can give more insight (such as fluid flow, temperature, etc,) from within the cement rotary kiln, which is a benefit to better understanding of combustion behavior and an improvement of burner and rotary kiln technology. [less ▲]

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See detailModeling of strain localization around the radioactive waste disposal galleries
Salehnia, Fatemeh ULg; Charlier, Robert ULg; Levasseur, Séverine ULg

in Coupled Phenomena in Environmental Geotechnics (2013)

Detailed reference viewed: 103 (53 ULg)
See detailModeling of Surrogate Fuels with Real Components
Mair-Zelenka, P; Wallek, T; Reiter, A M et al

Conference (2012)