2022

 

M. L. AbouYoussef, M. El-Kemary, R. Dovesi, and K. E. El-Kelany.
Geometrical stability and nonlinear optical properties of crystallogen and pnictogen fullerene analogues.
The Journal of Physical Chemistry A, dec 2022.
doi: rm10.1021/acs.jpca.2c04677.
URL https://doi.org/10.1021/acs.jpca.2c04677.
2018CPMXX0429.

 

F. Asllanaj, A. Addoum, W. Blondel, and M. Amouroux.
Optical properties reconstruction method for quantitative photoacoustic tomography.
In LALS 2022, International Conference on Laser Applications in Life Sciences, Nancy, France, 2022.

 

N. I. Atallah, M. El-Kemary, F. Pascale, and K. E. El-Kelany.
Extraordinary piezoelectric effect induced in two-dimensional rare earth monochalcogenides via reducing system dimensionality.
Journal of Materiomics, oct 2022.
doi: rm10.1016/j.jmat.2022.09.002.
URL https://doi.org/10.1016/j.jmat.2022.09.002.
2018CPMXX0429.

 

M. Badawi.
Modélisation de l’adsorption à l’échelle moléculaire.
In Ecole de l’Association Française de l’Adsorption, Oral, Online, 2022.
2019CPMXX0960.

 

H. Betar, D. D. Sarto, M. Ottaviani, and A. Ghizzo.
Microscopic scales of linear tearing modes: a tutorial on boundary layer theory for magnetic reconnection.
Journal of Plasma Physics, 88 (6), nov 2022.
doi: rm10.1017/s0022377822001088.
URL https://doi.org/10.1017/s0022377822001088.
2019M4XXX0978.
https://hal.science/hal-03809727v2

 

F. Brix and É. Gaudry.
Two-dimensional metal structures revealed by evolutionary computations: Pb/al13co4(100) as a case study.
Journal of Vacuum Science and Technology A, 40 (1): 012203, jan 2022.
doi: rm10.1116/6.0001439.
URL https://doi.org/10.1116/6.0001439.
2017M4XXX0108.
https://hal.science/hal-03542016

 

F. Brix, G. Frapper, and É. Gaudry.
Ammonia synthesis on the RRuSi(001) (r = ca,la) surfaces: DFT insights revealing the active la termination of the LaRuSi electride.
The Journal of Physical Chemistry C, 126 (6): 3009–3016, feb 2022.
doi: rm10.1021/acs.jpcc.1c08725.
URL https://doi.org/10.1021/acs.jpcc.1c08725.
2017M4XXX0108.
https://hal.science/hal-03688643

 

A. Chirouf, B. Appolaire, A. Finel, Y. L. Bouar, and M. Založnik.
Modeling equiaxed grain interactions during growth.
In 6th International Conference on Advances in Solidification Processes (ICASP-6), France, 2022.
2017M4XXX0312.

 

V. Colas, M. Amouroux, C. DAul, C. Perrin-Mozer, and W. Blondel.
Comparative study of optical properties estimation on liquid optical phantoms using spatially-resolved diffuse reflectance spectroscopy and double integrating spheres methods.
In SPIE Proceedings, Tissue Optics and Photonics II, pages 12147–7, Strasbourg, France, 2022a.
2018AM2IX0877.
https://hal.science/hal-03692406

 

V. Colas, M. Amouroux, C. DAul, C. Perrin-Mozer, and W. Blondel.
Human skin optical properties modelling and estimation using autofluorescence and diffuse reflectance spectroscopy.
In 9th annual Sino-French “Photonics and Optoelectronics” PHOTONET International Research Network Workshop, 2022b.
https://hal.science/hal-03692425

 

V. Colas, C. Daul, G. Khairallah, M. Amouroux, and W. Blondel.
Improved estimation of the optical properties in a skin five-layer model from spatially resolved diffuse reflectance spectra using a layer-by-layer approach and optimized combinations of wavelengths and source-detector distances.
In SPIE Photonics West conference, SPIE Proceedings, Biomedical applications of light scattering XII, pages 11974–21, San Francisco, United States, Feb. 2022c.
URL https://hal.archives-ouvertes.fr/hal-03560298.
2018AM2IX0877.
https://hal.science/hal-03560298

 

V. Colas, C. Daul, C. Perrin-Mozet, K. Gregoire, M. Amouroux, and W. C. Blondel.
Theoretical definition and experimental validation of an correction factor to standardize the absolute magnitude of simulated and clinical spatially-resolved diffuse reflectance spectra.
In SPIE Photonics West conference, SPIE Proceedings, Biomedical applications of light scattering XII, pages 11974–4, San Francisco, United States, Feb. 2022d.
URL https://hal.archives-ouvertes.fr/hal-03560273.
2018AM2IX0877.
https://hal.science/hal-03560273

 

P.-O. Delzant, P. Chapelle, A. Jardy, A. Matveichev, and Y. Millet.
Impact of a transient and asymmetrical distribution of the electric arc on the solidification conditions of the ingot in the VAR process.
Metals, 12 (3): 500, mar 2022.
doi: rm10.3390/met12030500.
URL https://doi.org/10.3390/met12030500.
2018M4XXX0439.
https://hal.science/hal-03796658

 

D. Dubaux, F. Brix, É. Gaudry, P. Gille, M.-C. de Weerd, V. Fournée, M. Sicot, and J. Ledieu.
From high temperature phase formation to transition metal substitution in the fe/al9co2(001) system.
Applied Surface Science, 591: 153100, jul 2022.
doi: rm10.1016/j.apsusc.2022.153100.
URL https://doi.org/10.1016/j.apsusc.2022.153100.
2017M4XXX0108.
https://hal.science/hal-03800974

 

K. E. El-Kelany, F. Pascale, A. Platonenko, A. M. Ferrari, and R. Dovesi.
Quantum mechanical simulation of various phases of kvf3 perovskite.
Journal of Physics: Condensed Matter, 34 (28): 285401, may 2022.
doi: rm10.1088/1361-648x/ac6925.
URL https://doi.org/10.1088/1361-648x/ac6925.
2018CPMXX0429.

 

A. Gansmüller, A. A. Mikhailov, G. A. Kostin, J. Raya, C. Palin, T. Woike, and D. Schaniel.
Solid-state photo-NMR study on light-induced nitrosyl linkage isomers uncovers their structural, electronic, and diamagnetic nature.
Analytical Chemistry, 94 (10): 4474–4483, mar 2022.
doi: rm10.1021/acs.analchem.1c05564.
URL https://doi.org/10.1021/acs.analchem.1c05564.
2017CPMXX0085.
https://hal.science/hal-03752697

 

T. Isensee, A. Viardin, L. Sturz, M. Založnik, and D. Tourret.
Benchmark simulations of multiscale models for dendritic growth in alloys under isothermal and directional conditions.
In 6th International Conference on Advances in Solidification Processes (ICASP-6), France, 2022.
2017M4XXX0312.

 

M. Jančič, M. Založnik, and G. Kosec.
A sharp-interface mesoscopic model for dendritic growth.
In IOP Conference Series : Materials Science and Engineering, 2022.
2017M4XXX0312.
https://hal.univ-lorraine.fr/hal-04300783

 

B. Jasiok, M. Chorążewski, A. A. Pribylov, E. B. Postnikov, P. Friant-Michel, and C. Millot.
Thermophysical properties of chloropropanes in liquid phase: Experiments and simulations.
Journal of Molecular Liquids, 358: 119137, jul 2022.
doi: rm10.1016/j.molliq.2022.119137.
URL https://doi.org/10.1016/j.molliq.2022.119137.
2017CPMXX0277.
https://hal.science/hal-03752724

 

R. N. Konduru, G. Parent, O. Farges, and V. Schick.
Modelling of coupled heat transfer – application to porous media at high temperatures.
In 30ème congrès de la Société Française de Thermique, Valenciennes, France, 2022.
2017EMPPX0317.

 

B. Lafdal, R. Djebbar, P. Boulet, R. Mehaddi, E. Koutaiba, T. Beji, and J. L. Torero.
Numerical study of the combustion regimes in naturally-vented compartment fires.
Fire Safety Journal, 131: 103604, jul 2022.
doi: rm10.1016/j.firesaf.2022.103604.
URL https://doi.org/10.1016/j.firesaf.2022.103604.
2017EMPPX0357.
https://hal.science/hal-03752739

 

C. R. Merchan, T. T. Dorini, F. Brix, L. Pasquier, M. Jullien, D. Pierre, S. Andrieu, K. Dumesnil, S. S. Parapari, S. Šturm, J. Ledieu, M. Sicot, O. Copie, E. Gaudry, and V. Fournée.
Two-dimensional square and hexagonal oxide quasicrystal approximants in srtio3 films grown on pt(111)/al2o3(0001).
Physical Chemistry Chemical Physics, 24 (12): 7253–7263, 2022.
doi: rm10.1039/d1cp05296a.
URL https://doi.org/10.1039/d1cp05296a.
2017M4XXX0108.
https://hal.science/hal-03688642

 

F. Pascale, K. Doll, F. S. Gentile, and R. Dovesi.
How deeply are core electrons perturbed when valence electrons are spin polarized? the case study of transition metal compounds.
Journal of Computational Chemistry, 44 (2): 65–75, oct 2022a.
doi: rm10.1002/jcc.27015.
URL https://doi.org/10.1002/jcc.27015.
2018CPMXX0429.

 

F. Pascale, K. Doll, A. Platonenko, M. Rérat, and R. Dovesi.
The role of spin density for understanding the superexchange mechanism in transition metal ionic compounds. the case of kmf3 (m = mn, fe, co, ni, cu) perovskites.
Physical Chemistry Chemical Physics, 24 (21): 12950–12960, 2022b.
doi: rm10.1039/d2cp01176j.
URL https://doi.org/10.1039/d2cp01176j.
2018CPMXX0429.
https://hal.science/hal-03763000

 

A. Pascot, J.-Y. Morel, S. Antonyuk, M. Jenny, Y. Cheny, and S. K. D. Richter.
Discharge of vibrated granular silo: A grain scale approach.
Powder Technology, 397: 116998, jan 2022.
doi: rm10.1016/j.powtec.2021.11.042.
URL https://doi.org/10.1016/j.powtec.2021.11.042.
2018EMPPX0691.
https://hal.univ-lorraine.fr/hal-03516912

 

M. Sans, O. Farges, V. Schick, and G. Parent.
Solving transient coupled conductive and radiative transfers in porous media with a monte carlo method: Characterization of thermal conductivity of foams using a numerical flash method.
International Journal of Thermal Sciences, 179: 107656, sep 2022.
doi: rm10.1016/j.ijthermalsci.2022.107656.
URL https://doi.org/10.1016/j.ijthermalsci.2022.107656.
2017EMPPX0317.
https://hal.science/hal-03681436v2

 

A. Saxena, J.-S. Kroll-Rabotin, and R. S. Sanders.
Numerical investigation of the respective roles of cohesive and hydrodynamic forces in aggregate restructuring under shear flow.
Journal of Colloid and Interface Science, 608: 355–365, feb 2022a.
doi: rm10.1016/j.jcis.2021.08.208.
URL https://doi.org/10.1016/j.jcis.2021.08.208.
2018M4XXX0439.
https://hal.univ-lorraine.fr/hal-03606193

 

M. B. Shoker, T. Alhaddad, O. Pagès, V. J. B. Torres, A. V. Postnikov, A. Polian, R. H. Hussein, G. K. Pradhan, C. Narayana, C. Gardiennet, G. Kervern, L. Nataf, S. Ravy, J.-P. Itié, K. Strzałkowski, A. Marasek, and F. Firszt.
Exceptional phonon point versus free phonon coupling in zn1-xBexTe under pressure: an experimental and ab initio raman study.
Scientific Reports, 12 (1), jan 2022.
doi: rm10.1038/s41598-022-04815-w.
URL https://doi.org/10.1038/s41598-022-04815-w.
2019CPMXX0918.
https://hal.sorbonne-universite.fr/hal-03528921

 

A. Streit, B. Guillaue, B. Girardin, L. Terrei, A. Collin, and A. Marchand.
Fire propagation from surface to canopy on ornamental species under wind in laboratory conditions.
In 9th International Conference on Forest Fire Research, Coimbra, Portugal, 2022.
2017EMPPX0357.

 

A. Viardin, Y. Souhar, M. C. Fernández, M. Apel, and M. Založnik.
Mesoscopic modeling of equiaxed and columnar solidification microstructures under forced flow and buoyancy-driven flow in hypergravity: Envelope versus phase-field model.
Acta Materialia, 199: 680–694, oct 2020.
doi: rm10.1016/j.actamat.2020.07.069.
URL https://doi.org/10.1016/j.actamat.2020.07.069.
2017M4XXX0312.
https://hal.science/hal-02978797

 

A. Viardin, J. Zollinger, L. Sturz, M. Apel, J. Eiken, R. Berger, U. Hecht, Y. Souhar, M. C. Fernández, and M. Založnik.
Modeling of melt flow and directional solidification in tial alloys.
In 6th International Conference on Advances in Solidification Processes (ICASP-6), 2022.
2017M4XXX0312.

 

Émilie Gaudry.
On the catalytic properties of complex intermetallic surfaces.
In Journées surface et interfaces, Dijon, France, 2022.
2017M4XXX0108.