LSM Publication List (since 2018)
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Dehbi A, Kelm S, Kalilainen J, Mueller H
The influence of thermal radiation on the free convection inside enclosures
Nuclear Engineering and Design. 2019; 341: 176-185. https://doi.org/10.1016/j.nucengdes.2018.10.025
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Haider RS, Wilhelm F, Rizk A, Mutt E, Deupi X, Peterhans C, et al.
Arrestin-1 engineering facilitates complex stabilization with native rhodopsin
Scientific Reports. 2019; 9(1): 439. https://doi.org/10.1038/s41598-018-36881-4
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Krepel J, Losa E
Closed U-Pu and Th-U cycle in sixteen selected reactors: Comparison of major equilibrium features
Annals of Nuclear Energy. 2019; 128: 341-357. https://doi.org/10.1016/j.anucene.2019.01.013
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Mantzaras J
Progress in non-intrusive laser-based measurements of gas-phase thermoscalars and supporting modeling near catalytic interfaces
2019; 70: 169-211. https://doi.org/10.1016/j.pecs.2018.10.005
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Munk C, Mutt E, Isberg V, Nikolajsen LF, Bibbe JM, Flock T, et al.
An online resource for GPCR structure determination and analysis
Nature Methods. 2019; 16(2): 151-162. https://doi.org/10.1038/s41592-018-0302-x
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Müller P, Karhan K, Krack M, Gerstmann U, Schmidt WG, Bauer M, et al.
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes
Journal of Computational Chemistry. 2019; 40(5): 712-716. https://doi.org/10.1002/jcc.25641
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Pelloni S, Rochman D
Enhancements along with application of the Asymptotic Progressing nuclear data Incremental Adjustment (APIA) methodology by individual assimilations of fast reactor data
Annals of Nuclear Energy. 2019; 129: 79-89. https://doi.org/10.1016/j.anucene.2019.01.057
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Posternak M, Baldereschi A, Delley B
Adsorption of HPOx and CaHPOx (x=1,..4) molecules on anatase TiO
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Ritler A, Shoshan MS, Deupi X, Wilhelm P, Schibli R, Wennemers H, et al.
Elucidating the Structure-Activity Relationship of the Pentaglutamic Acid Sequence of Minigastrin with Cholecystokinin Receptor Subtype 2
Bioconjugate Chemistry. 2019; 30(3): 657-666. https://doi.org/10.1021/acs.bioconjchem.8b00849
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Safi MA, Mantzaras J, Prasianakis NI, Lamibrac A, Büchi FN
A pore-level direct numerical investigation of water evaporation characteristics under air and hydrogen in the gas diffusion layers of polymer electrolyte fuel cells
International Journal of Heat and Mass Transfer. 2019; 129: 1250-1262. https://doi.org/10.1016/j.ijheatmasstransfer.2018.10.042
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Adelmann A, Hermann B, Ischebeck R, Kaluza MC, Locans U, Sauerwein N, et al.
Real-time tomography of gas-jets with a wollaston interferometer
Applied Sciences. 2018; 8(3): 443. https://doi.org/10.3390/app8030443
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Aksouh M, Dehbi A
Large Eddy simulations of particulate flows inside a square differentially heated cavity at Rayleigh numbers up to 1011
Powder Technology. 2018; 336: 318-331. https://doi.org/10.1016/j.powtec.2018.06.016
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Arani BO, Frouzakis CE, Mantzaras J, Lucci F, Boulouchos K
Direct numerical simulation of turbulent channel-flow catalytic combustion: Effects of Reynolds number and catalytic reactivity
Combustion and Flame. 2018; 187: 52-66. https://doi.org/10.1016/j.combustflame.2017.09.001
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Arava H, Derlet PM, Vijayakumar J, Cui J, Bingham NS, Kleibert A, et al.
Computational logic with square rings of nanomagnets
Nanotechnology. 2018; 29(26): 265205 (7 pp.). https://doi.org/10.1088/1361-6528/aabbc3
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Balinski K, Schneider L, Wöllermann J, Buling A, Joly L, Piamonteze C, et al.
Element specific determination of the magnetic properties of two macrocyclic tetranuclear 3d-4f complexes with a Cu3Tb core by means of X-ray magnetic circular dichroism (XMCD)
Physical Chemistry Chemical Physics. 2018; 20(33): 21286-21293. https://doi.org/10.1039/c7cp08689j
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Baltic R, Donati F, Singha A, Wäckerlin C, Dreiser J, Delley B, et al.
Magnetic properties of single rare-earth atoms on graphene/Ir(111)
Physical Review B. 2018; 98(2): 24412. https://doi.org/10.1103/PhysRevB.98.024412
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Becquart CS, Ngayam Happy R, Olsson P, Domain C
A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe
Journal of Nuclear Materials. 2018; 500: 92-109. https://doi.org/10.1016/j.jnucmat.2017.12.022
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Bousbia Salah A, Ceuca SC, Puragliesi R, Mukin R, Grahn A, Kliem S, et al.
Unsteady Single-Phase Natural-Circulation Flow Mixing Prediction Using 3-D Thermal-Hydraulic System and CFD Codes
Nuclear Technology. 2018; 203(3): 293-314. https://doi.org/10.1080/00295450.2018.1461517
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Clifford I, Pecchia M, Puragliesi R, Vasiliev A, Ferroukhi H
On the characteristics of the flow and heat transfer in the core bypass region of a PWR
Nuclear Engineering and Design. 2018; 330: 117-128. https://doi.org/10.1016/j.nucengdes.2018.01.039
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Derlet PM, Maaß R
Thermally-activated stress relaxation in a model amorphous solid and the formation of a system-spanning shear event
Acta Materialia. 2018; 143: 205-213. https://doi.org/10.1016/j.actamat.2017.10.020
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Fiorina C, Pautz A, Mikityuk K
Creation of an openfoam fuel performance class based on fred and integration into the gen-foam multi-physics code
In: International conference on nuclear engineering, proceedings, ICONE. Vol. 3. American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81574
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Gerrard E, Mutt E, Nagata T, Koyanagi M, Flock T, Lesca E, et al.
Convergent evolution of tertiary structure in rhodopsin visual proteins from vertebrates and box jellyfish
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2018; 115(24): 6201-6206. https://doi.org/10.1073/pnas.1721333115
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Grimmer H, Delley B
Density functional theory calculations of merohedric twinning in KLiSO4
Zeitschrift für Kristallographie: Crystalline Materials. 2018. https://doi.org/10.1515/zkri-2018-2126
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Guidez J, Rineiski A, Prêle G, Girardi E, Bodi J, Mikityuk K
Proposal of new safety measures for European sodium fast reactor to be evaluated in framework of Horizon-2020 ESFR-SMART project
In: Proceedings of the 2018 International Congress on Advances in Nuclear Power Plants, ICAPP 2018. American Nuclear Society; 2018.
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Gómez Tamayo JC, Olivella M, Ríos S, Hoogstraat M, Gonzalez A, Mayol E, et al.
GPCR-SAS: a web application for statistical analyses on G protein-coupled receptors sequences
PLoS One. 2018; 13(7): e0199843 (14 pp.). https://doi.org/10.1371/journal.pone.0199843
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Halouane Y, Dehbi A
CFD simulation of hydrogen mitigation by a passive autocatalytic recombiner
Nuclear Engineering and Design. 2018; 330: 488-496. https://doi.org/10.1016/j.nucengdes.2018.01.018
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Kim H, Dehbi A, Kalilainen J
Measurements and LES computations of a turbulent particle-laden flow inside a cubical differentially heated cavity
Atmospheric Environment. 2018; 186: 216-228. https://doi.org/10.1016/j.atmosenv.2018.05.037
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Kolano A, Adelmann A, Barlow R, Baumgarten C
Intensity limits of the PSI Injector II cyclotron
Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2018; 885: 54-59. https://doi.org/10.1016/j.nima.2017.12.045
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Krepel J, Filippo MD, Mikityuk K, Prasser H-M
Analysis of major group structures used for nuclear reactor simulations
In: International conference on nuclear engineering, proceedings, ICONE. Vol. 9. American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81445
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Krepel J
Core safety measures in ESFR-SMART
In: PHYSOR 2018: Reactor Physics paving the way towards more efficient systems. ; 2018.
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Lehmann J, Donnelly C, Derlet PM, Heyderman LJ, Fiebig M
Poling of an artificial magneto-toroidal crystal
Nature Nanotechnology. 2018. https://doi.org/10.1038/s41565-018-0321-x
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Leo N, Holenstein S, Schildknecht D, Sendetskyi O, Luetkens H, Derlet PM, et al.
Collective magnetism in an artificial 2D XY spin system
Nature Communications. 2018; 9(1): 2850. https://doi.org/10.1038/s41467-018-05216-2
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Liu Y, Dinh N, Sato Y, Niceno B
Data-driven modeling for boiling heat transfer: Using deep neural networks and high-fidelity simulation results
Applied Thermal Engineering. 2018; 144: 305-320. https://doi.org/10.1016/j.applthermaleng.2018.08.041
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Maaß R, Derlet PM
Micro-plasticity and recent insights from intermittent and small-scale plasticity
Acta Materialia. 2018; 143: 338-363. https://doi.org/10.1016/j.actamat.2017.06.023
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Mikityuk K
New safety measures proposed for European Sodium Fast Reactor in Horizon-2020 ESFR-SMART project
Presented at: GIF Symposium; October 16-17, 2018; Paris, France.
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Mikityuk K, Ponomarev A
Use of CAD models in ESFR-SMART project
Presented at: GIF Symposium; October 16-17, 2018; Paris, France.
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Mukin R, Puragliesi R, Pecchia M, Seidl M
Subchannel modeling of single rod bowing in a bundle geometry
Nuclear Engineering and Design. 2018; 340: 347-369. https://doi.org/10.1016/j.nucengdes.2018.09.032
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Pelloni S, Rochman D
Cross-section adjustment in the fast energy range on the basis of an Asymptotic Progressing nuclear data Incremental Adjustment (APIA) methodology
Annals of Nuclear Energy. 2018; 115: 323-342. https://doi.org/10.1016/j.anucene.2018.01.037
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Pelloni S, Rochman D
Performance assessment of adjusted nuclear data along with their covariances on the basis of fast reactor experiments
Annals of Nuclear Energy. 2018; 121: 361-373. https://doi.org/10.1016/j.anucene.2018.07.043
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Ponomarev A, Mikityuk K
New sodium fast reactor neutronics benchmark
In: PHYSOR 2018: Reactor Physics paving the way towards more efficient systems. ; 2018.
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Prévost B, Gauthier N, Pomjakushin VY, Delley B, Walker HC, Kenzelmann M, et al.
Coexistence of magnetic fluctuations and long-range order in the one-dimensional J1-J2 zigzag chain materials BaDy2 O4 and BaHO2 O4
Physical Review B. 2018; 94(14): 144428. https://doi.org/10.1103/PhysRevB.98.144428
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Radman S, Fiorina C, Mikityuk K, Pautz A
A simplified numerical benchmark for pool-type sodium fast reactors
In: International conference on nuclear engineering, proceedings, ICONE. Vol. 4. American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE2682260
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Rizzoglio V, Adelmann A, Baumgarten C, Meer D, Snuverink J, Talanov V
On the accuracy of Monte Carlo based beam dynamics models for the degrader in proton therapy facilities
Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2018; 898: 1-10. https://doi.org/10.1016/j.nima.2018.04.057
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Rochman D, Bauge E, Vasiliev A, Ferroukhi H, Pelloni S, Koning AJ, et al.
Monte Carlo nuclear data adjustment via integral information
European Physical Journal Plus. 2018; 133(12): 537. https://doi.org/10.1140/epjp/i2018-12361-x
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Rodríguez-Arias I, Müller M, Rosso A, De Luca A
Exactly solvable model for dynamic nuclear polarization
Physical Review B. 2018; 98(22): 224202. https://doi.org/10.1103/PhysRevB.98.224202
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Sato Y, Smith BL, Niceno B
Examples of pool-boiling simulations using an interface tracking method applied to nucleate boiling, departure from nucleate boiling and film boiling
In: Thome JR, ed. Numerical modeling methodologies. Encyclopedia of two-phase heat transfer and flow III. Macro and micro flow boiling and numerical modeling fundamentals. Singapore: World Scientific Publishing Co Pte Ltd; 2018. https://doi.org/10.1142/9789813229440_0007
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Sato Y, Niceno B
Pool boiling simulation using an interface tracking method: From nucleate boiling to film boiling regime through critical heat flux
International Journal of Heat and Mass Transfer. 2018; 125: 876-890. https://doi.org/10.1016/j.ijheatmasstransfer.2018.04.131
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Scaramucci A, Shinaoka H, Mostovoy MV, Müller M, Mudry C, Troyer M, et al.
Multiferroic magnetic spirals induced by random magnetic exchanges
Physical Review X. 2018; 8(1): 011005 (9 pp.). https://doi.org/10.1103/PhysRevX.8.011005
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Schildknecht D, Heyderman LJ, Derlet PM
Phase diagram of dipolar-coupled XY moments on disordered square lattices
Physical Review B. 2018; 98(6): 64420. https://doi.org/10.1103/PhysRevB.98.064420
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Siefman D, Hursin M, Rochman D, Pelloni S, Pautz A
Stochastic vs. sensitivity-based integral parameter and nuclear data adjustments
European Physical Journal Plus. 2018; 133(10): 429 (10 pp.). https://doi.org/10.1140/epjp/i2018-12303-8
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Sridhar M, Mantzaras J, van Bokhoven JA, Kröcher O
Numerical Modeling of Hydroperoxyl-Mediated Oxidative Dehydrogenation of Formic Acid under SCR-Relevant Conditions
Industrial and Engineering Chemistry Research. 2018; 57(31): 10206-10215. https://doi.org/10.1021/acs.iecr.8b01592
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Sui R, Es-sebbar E-touhami, Mantzaras J, Prasianakis NI
Experimental and Numerical Investigation of Fuel-Lean H2/CO/Air and H2/CH4/Air Catalytic Microreactors
Combustion Science and Technology. 2018; 190(2): 336-362. https://doi.org/10.1080/00102202.2017.1391231
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Tsai C-J, Pamula F, Nehmé R, Mühle J, Weinert T, Flock T, et al.
Crystal structure of rhodopsin in complex with a mini-Go sheds light on the principles of G protein selectivity
Science Advances. 2018; 4(9): aat7052. https://doi.org/10.1126/sciadv.aat7052
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Uzair A, Sabeeh K, Müller M
Collision-dominated conductance in clean two-dimensional metals
Physical Review B. 2018; 98(3): 35421. https://doi.org/10.1103/PhysRevB.98.035421
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Vitullo F, Krepel J, Kalilainen J, Prasser H-M, Pautz A
Statistical burnup distribution of moving pebbles in HTR-PM reactor
In: International conference on nuclear engineering, proceedings, ICONE. Vol. 9. American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81082
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Wehinger B, Fiolka C, Lanza A, Scatena R, Kubus M, Grockowiak A, et al.
Giant pressure dependence and dimensionality switching in a metal-organic quantum antiferromagnet
Physical Review Letters. 2018; 121(11): 117201 (7 pp.). https://doi.org/10.1103/PhysRevLett.121.117201
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de Oliveira RGG, Mikityuk K
Analytical solutions to a coupled fluid dynamics and neutron transport problem with application to GeN-Foam verification
Annals of Nuclear Energy. 2018; 121: 446-451. https://doi.org/10.1016/j.anucene.2018.07.036
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van Well N, Zaharko O, Delley B, Skoulatos M, Georgii R, van Smaalen S, et al.
Magnetic Phase Diagram of the Triangular Antiferromagnetic Cs2CuCl4− xBrx Mixed System
Annalen der Physik. 2018; 530(12): 1800270. https://doi.org/10.1002/andp.201800270
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