Search Results - "Raulot, J.M."

Building compact dislocation cores in an elasto-plastic model of dislocation fields by Gbemou, K., Taupin, V., Raulot, J.M., Fressengeas, C.

“…An elasto-plastic theory of dislocation fields, where dislocation motion is accounted for by a dissipative dislocation density transport framework, is used to…”
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Variant selection criterion for twin variants in titanium alloys deformed by rolling by Wang, S., Schuman, C., Bao, L., Lecomte, J.S., Zhang, Y., Raulot, J.M., Philippe, M.J., Zhao, X., Esling, C.

“…A new selection criterion to explain the activation of the twinning variant is proposed based on the calculation of the deformation energy to create a primary…”
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Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project by Malerba, L., Ackland, G.J., Becquart, C.S., Bonny, G., Domain, C., Dudarev, S.L., Fu, C.-C., Hepburn, D., Marinica, M.C., Olsson, P., Pasianot, R.C., Raulot, J.M., Soisson, F., Terentyev, D., Vincent, E., Willaime, F.

“…The objective of the FP6 Perfect Project was to develop a first example of integrated multiscale computational models, capable of describing the effects of…”
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Ab initio investigation of potential indium and gallium free chalcopyrite compounds for photovoltaic application by Raulot, J.M., Domain, C., Guillemoles, J.F.

“…The amazing opto-electronic properties of pseudo-ternaries Cu(In,Ga)(S,Se) 2 compounds are, for a great deal, related to their defect chemistry, for which ab…”
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Ab Initio Study of Tin Segregation in Zirconium at the Σ17(0̅337) Tilt Grain Boundary by Selmi, N., Khalfallah, O., Raulot, J.M.

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Atomistic modeling of an Fe system with a small concentration of C by Becquart, C.S., Raulot, J.M., Bencteux, G., Domain, C., Perez, M., Garruchet, S., Nguyen, H.

“…An Fe–C potential based on the Embedded Atom Method has been derived, adjusted on ab initio data. This potential is dedicated to the study of ferritic FeC…”
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Structural and thermal properties of Fe3Al, Fe3AlC and hypothetical Fe3AlX (X=H, B, N, O) compounds: Ab initio and quasi-harmonic Debye modelling by Kellou, A., Raulot, J.M., Grosdidier, T.

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Structural and thermal properties of Fe 3Al, Fe 3AlC and hypothetical Fe 3AlX (X = H, B, N, O) compounds: Ab initio and quasi-harmonic Debye modelling by Kellou, A., Raulot, J.M., Grosdidier, T.

“…Atomistic modelling based on the Density Functional Theory (DFT) within the generalized-gradient approximation (GGA) and the quasi-harmonic Debye model were…”
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Composition dependent phase stability of Ni–Mn–Ga alloys studied by ab initio calculations by Xu, N., Raulot, J.M., Li, Z.B., Zhang, Y.D., Bai, J., Peng, W., Meng, X.Y., Zhao, X., Zuo, L., Esling, C.

“…•Composition dependent phase stability was studied by ab initio calculations.•Ni-doping relatively stabilizes NM, whereas proper Mn-doping stabilizes…”
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Atomistic modeling of Fe system with small C concentration by Becquart, Charlotte, Raulot, J.M., Benecteux, G., Perez, Michel

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The role of Cu in displacement cascades examined by molecular dynamics by Becquart, C.S., Domain, C., van Duysen, J.C., Raulot, J.M.

“…Molecular dynamics simulations of displacement cascades in pure Fe, Fe–0.2 at.% Cu and Fe–2 at.% Cu have been done with different primary knocked-on atom (PKA)…”
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