LSM Publication List (since 2018)

  • Bocharov D, Krack M, Rafalskij Y, Kuzmin A, Purans J
    Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: the effect of the supercell size
    Computational Materials Science. 2020; 171: 109198 (7 pp.). https://doi.org/10.1016/j.commatsci.2019.109198
    DORA PSI
  • Bocharov D, Anspoks A, Timoshenko J, Kalinko A, Krack M, Kuzmin A
    Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics
    Radiation Physics and Chemistry. 2020. https://doi.org/10.1016/j.radphyschem.2018.12.020
    DORA PSI
  • Bureš L, Sato Y
    Direct numerical simulation of phase change in the presence of non-condensable gases
    International Journal of Heat and Mass Transfer. 2020; 151: 119400 (18 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2020.119400
    DORA PSI
  • Dehbi A
    Correcting for tube curvature effects on condensation in the presence of a noncondensable gas in laminar regimes
    International Journal of Heat and Mass Transfer. 2020; 151: 119384 (9 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2020.119384
    DORA PSI
  • Derlet PM, Maaß R
    Emergent structural length scales in a model binary glass - the micro-second molecular dynamics time-scale regime
    Journal of Alloys and Compounds. 2020; 821: 153209 (11 pp.). https://doi.org/10.1016/j.jallcom.2019.153209
    DORA PSI
  • Derlet PM, Dudarev SL
    Microscopic structure of a heavily irradiated material
    Physical Review Materials. 2020; 4(2): 023605 (20 pp.). https://doi.org/10.1103/PhysRevMaterials.4.023605
    DORA PSI
  • Frey M, Adelmann A, Locans U
    On architecture and performance of adaptive mesh refinement in an electrostatics Particle-In-Cell code
    Computer Physics Communications. 2020; 247: 106912 (18 pp.). https://doi.org/10.1016/j.cpc.2019.106912
    DORA PSI
  • García-Recio A, Navarro G, Franco R, Olivella M, Guixà-González R, Cordomí A
    DIMERBOW: exploring possible GPCR dimer interfaces
    Bioinformatics. 2020; 36(10): 3271-3272. https://doi.org/10.1093/bioinformatics/btaa117
    DORA PSI
  • Grob NM, Häussinger D, Deupi X, Schibli R, Behe M, Mindt TL
    Triazolo-peptidomimetics: novel radiolabeled minigastrin analogs for improved tumor targeting
    Journal of Medicinal Chemistry. 2020; 63(9): 4484-4495. https://doi.org/10.1021/acs.jmedchem.9b01936
    DORA PSI
  • Halouane Y, Dehbi A
    CFD prediction of hydrogen passive autocatalytic recombiner performance under counter-current flow conditions
    International Journal of Hydrogen Energy. 2020; 45(16): 10247-10256. https://doi.org/10.1016/j.ijhydene.2020.01.189
    DORA PSI
  • Hombourger B, Křepel J, Pautz A
    The EQL0D fuel cycle procedure and its application to the transition to equilibrium of selected molten salt reactor designs
    Annals of Nuclear Energy. 2020; 144: 107504 (18 pp.). https://doi.org/10.1016/j.anucene.2020.107504
    DORA PSI
  • Hursin M, Pelloni S, Vasiliev A, Ferroukhi H
    Treatment of the implicit effect in Shark-X
    Annals of Nuclear Energy. 2020; 138: 107178 (14 pp.). https://doi.org/10.1016/j.anucene.2019.107178
    DORA PSI
  • Kalilainen J, Nichenko S, Krepel J
    Evaporation of materials from the molten salt reactor fuel under elevated temperatures
    Journal of Nuclear Materials. 2020; 533: 152134 (13 pp.). https://doi.org/10.1016/j.jnucmat.2020.152134
    DORA PSI
  • Li X, Prasser H-M, Niceno B
    URANS simulations of the single-phase mixing in a 4*4 LWR fuel bundle with mixing vanes, validated against a sub-channel experiment
    Nuclear Engineering and Design. 2020; 363: 110612 (13 pp.). https://doi.org/10.1016/j.nucengdes.2020.110612
    DORA PSI
  • Maceira IA, Mila F, Müller M
    Perturbative approach to tunneling and quantum interferences in spin clusters
    Physical Review B. 2020; 101(10): 104416 (17 pp.). https://doi.org/10.1103/PhysRevB.101.104416
    DORA PSI
  • Nick N, Sato Y
    Computational fluid dynamics simulation of Hyperloop pod predicting laminar–turbulent transition
    Railway Engineering Science. 2020; 28(1): 97-111. https://doi.org/10.1007/s40534-020-00204-z
    DORA PSI
  • Pelloni S, Rochman D
    Resonance parameter adjustment in the resolved region based upon an Asymptotic Generalized Linear Least-Squares methodology in conjunction with the Monte Carlo method
    Annals of Nuclear Energy. 2020; 145: 107509 (9 pp.). https://doi.org/10.1016/j.anucene.2020.107509
    DORA PSI
  • Saxena A, Prasser H-M
    A study of two-phase annular flow using unsteady numerical computations
    International Journal of Multiphase Flow. 2020; 126: 103037 (16 pp.). https://doi.org/10.1016/j.ijmultiphaseflow.2019.05.003
    DORA PSI
  • Shimanek J, Rizzardi Q, Sparks G, Derlet PM, Maaß R
    Scale-dependent pop-ins in nanoindentation and scale-free plastic fluctuations in microcompression
    Journal of Materials Research. 2020; 35(2): 196-205. https://doi.org/10.1557/jmr.2019.386
    DORA PSI
  • Sui R, Liang W, Mantzaras J, Law CK
    Coupled reaction mechanism reduction for the hetero-/homogeneous combustion of syngas over platinum
    Combustion and Flame. 2020; 214: 37-46. https://doi.org/10.1016/j.combustflame.2019.12.020
    DORA PSI
  • Sui R, Liang W, Zhang L, Mantzaras J, Law CK
    Kinetic interactions between H2 and CO in catalytic oxidation over PdO
    Combustion and Flame. 2020; 211: 270-280. https://doi.org/10.1016/j.combustflame.2019.09.035
    DORA PSI
  • Tiberga M, de Oliveira RGG, Cervi E, Blanco JA, Lorenzi S, Aufiero M, et al.
    Results from a multi-physics numerical benchmark for codes dedicated to molten salt fast reactors
    Annals of Nuclear Energy. 2020; 142: 107428 (19 pp.). https://doi.org/10.1016/j.anucene.2020.107428
    DORA PSI
  • Tiwari A, Li M-H, Bernevig BA, Neupert T, Parameswaran SA
    Unhinging the surfaces of higher-order topological insulators and superconductors
    Physical Review Letters. 2020; 124(4): 046801 (6 pp.). https://doi.org/10.1103/PhysRevLett.124.046801
    DORA PSI
  • Vitullo F, Krepel J, Kalilainen J, Prasser H-M, Pautz A
    Statistical burnup distribution of moving pebbles in the HTR-PM reactor
    Journal of Nuclear Engineering and Radiation Science. 2020; 6(2): 021108 (14 pp.). https://doi.org/10.1115/1.4044910
    DORA PSI
  • Adelmann A
    On nonintrusive uncertainty quantification and surrogate model construction in particle accelerator modeling
    SIAM-ASA Journal on Uncertainty Quantification. 2019; 7(2): 383-416. https://doi.org/10.1137/16M1061928
    DORA PSI
  • Alam SB, de Oliveira RGG, Goodwin CS, Parks GT
    Coupled neutronic/thermal-hydraulic hot channel analysis of high power density civil marine SMR cores
    Annals of Nuclear Energy. 2019; 127: 400-411. https://doi.org/10.1016/j.anucene.2018.12.031
    DORA PSI
  • Andreani M, Paranjape S
    Modelling of the interaction of two heat sources simulating the thermal effects of PARs
    Presented at: ICAPP 2019 - International congress on advances in nuclear power plants; May 12-15, 2019; Juan-les-pins, France.
    DORA PSI
  • Andreani M, Gaikwad AJ, Ganju S, Gera B, Grigoryev S, Herranz LE, et al.
    Synthesis of a CFD benchmark exercise based on a test in the PANDA facility addressing the stratification erosion by a vertical jet in presence of a flow obstruction
    Nuclear Engineering and Design. 2019; 354: 110177 (31 pp.). https://doi.org/10.1016/j.nucengdes.2019.110177
    DORA PSI
  • Antipas GSE, Karalis KT
    Direct determination of amorphous number density from the reduced pair distribution function
    MethodsX. 2019; 6: 601-605. https://doi.org/10.1016/j.mex.2019.03.005
    DORA PSI
  • Arani BO, Frouzakis CE, Mantzaras J, Boulouchos K
    Direct numerical simulations of turbulent catalytic and gas-phase combustion of H2/air over Pt at practically-relevant Reynolds numbers
    Proceedings of the Combustion Institute. 2019; 37(4): 5489-5497. https://doi.org/10.1016/j.proci.2018.05.103
    DORA PSI
  • Arava H, Leo N, Schildknecht D, Cui J, Vijayakumar J, Derlet PM, et al.
    Engineering relaxation pathways in building blocks of artificial spin ice for computation
    Physical Review Applied. 2019; 11(5): 054086 (8 pp.). https://doi.org/10.1103/PhysRevApplied.11.054086
    DORA PSI
  • Bliven SE, Lafita A, Rose PW, Capitani G, Prlić A, Bourne PE
    Analyzing the symmetrical arrangement of structural repeats in proteins with CE-Symm
    PLoS Computational Biology. 2019; 15(4): e1006842 (18 pp.). https://doi.org/10.1371/journal.pcbi.1006842
    DORA PSI
  • Bocharov D, Rafalskij Y, Krack M, Putnina M, Kuzmin A
    Negative thermal expansion of ScF3: first principles vs empirical molecular dynamics
    In: Vol. 503. IOP conference series: materials science and engineering. sine loco: IOP; 2019:012001. https://doi.org/10.1088/1757-899X/503/1/012001
    DORA PSI
  • Chen J-H, Mudry C, Chamon C, Tsvelik AM
    Model of spin liquids with and without time-reversal symmetry
    Physical Review B. 2019; 99(18): 184445 (13 pp.). https://doi.org/10.1103/PhysRevB.99.184445
    DORA PSI
  • Cui T, Schütt M, Orth PP, Fernandes RM
    Postquench gap dynamics of two-band superconductors
    Physical Review B. 2019; 100(14): 144513 (16 pp.). https://doi.org/10.1103/PhysRevB.100.144513
    DORA PSI
  • Das A, Derlet PM, Liu C, Dufresne EM, Maaß R
    Stress breaks universal aging behavior in a metallic glass
    Nature Communications. 2019; 10(1): 5006 (9 pp.). https://doi.org/10.1038/s41467-019-12892-1
    DORA PSI
  • 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
    DORA PSI
  • Ehrenberg D, Varma N, Deupi X, Koyanagi M, Terakita A, Schertler GFX, et al.
    The two-photon reversible reaction of the bistable jumping spider rhodopsin-1
    Biophysical Journal. 2019; 116(7): 1248-1258. https://doi.org/10.1016/j.bpj.2019.02.025
    DORA PSI
  • Es-sebbar E-touhami, Bénilan Y, Fray N, Cottin H, Jolly A, Gazeau M-C
    VUV spectral irradiance measurements in H2/He/Ar microwave plasmas and comparison with solar data
    Astrophysical Journal: Supplement Series. 2019; 240(1): 7 (8 pp.). https://doi.org/10.3847/1538-4365/aaf0a1
    DORA PSI
  • Frey M, Snuverink J, Baumgarten C, Adelmann A
    Matching of turn pattern measurements for cyclotrons using multiobjective optimization
    Physical Review Accelerators and Beams. 2019; 22(6): 064602 (13 pp.). https://doi.org/10.1103/PhysRevAccelBeams.22.064602
    DORA PSI
  • Grimmer H, Delley B
    Density functional theory calculations of merohedric twinning in KLiSO4
    Zeitschrift für Kristallographie: Crystalline Materials. 2019; 234(4): 211-217. https://doi.org/10.1515/zkri-2018-2126
    DORA PSI
  • 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 (13 pp.). https://doi.org/10.1038/s41598-018-36881-4
    DORA PSI
  • Hombourger B, Křepel J, Pautz A
    Breed-and-burn fuel cycle in molten salt reactors
    EPJ Nuclear Sciences and Technologies. 2019; 5: 15 (10 pp.). https://doi.org/10.1051/epjn/2019026
    DORA PSI
  • Iadecola T, Neupert T, Chamon C, Mudry C
    Ground-state degeneracy of non-Abelian topological phases from coupled wires
    Physical Review B. 2019; 99(24): 245138 (27 pp.). https://doi.org/10.1103/PhysRevB.99.245138
    DORA PSI
  • Jekal S, Danilo A, Phuong D, Zheng X
    First-principles prediction of skyrmionic phase behavior in GdFe2 films capped by 4d and 5d transition metals
    Applied Sciences. 2019; 9(4): 630 (7 pp.). https://doi.org/10.3390/app9040630
    DORA PSI
  • Karalis K, Ludwig C, Niceno B
    Supercritical water anomalies in the vicinity of the Widom line
    Scientific Reports. 2019; 9(1): 15731 (10 pp.). https://doi.org/10.1038/s41598-019-51843-0
    DORA PSI
  • Kranjčević M, Gorgi Zadeh S, Adelmann A, Arbenz P, van Rienen U
    Constrained multiobjective shape optimization of superconducting rf cavities considering robustness against geometric perturbations
    Physical Review Accelerators and Beams. 2019; 22(12): 122001 (14 pp.). https://doi.org/10.1103/PhysRevAccelBeams.22.122001
    DORA PSI
  • Kranjčević M, Adelmann A, Arbenz P, Citterio A, Stingelin L
    Multi-objective shape optimization of radio frequency cavities using an evolutionary algorithm
    Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2019; 920: 106-114. https://doi.org/10.1016/j.nima.2018.12.066
    DORA PSI
  • 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
    DORA PSI
  • Kéri A, Dähn R, Krack M, Churakov SV
    Characterization of structural iron in smectites — an ab initio based X-ray absorption spectroscopy study
    Environmental Science and Technology. 2019; 53(12): 6877-6886. https://doi.org/10.1021/acs.est.8b06952
    DORA PSI
  • Kéri AG
    Mechanism of metal uptake by clay minerals ― X-ray spectroscopy and molecular modelling study
    2019.
    DORA PSI
  • Liu X, Vinograd VL, Nichenko S, Kulik DA, Lu X, Winkler B
    Emulation of short-range ordering within the compound energy formalism: application to the calcite-magnesite solid solution
    Calphad. 2019; 64: 115-125. https://doi.org/10.1016/j.calphad.2018.11.012
    DORA PSI
  • Losa E, Košťál M, Jánský B, Novák E, Rypar V, Chvála O, et al.
    Simulations of advanced reactor cores in research light water reactor LR-0
    Nuclear Engineering and Design. 2019; 342: 205-209. https://doi.org/10.1016/j.nucengdes.2018.12.007
    DORA PSI
  • Ma J-Z, Nie SM, Yi CJ, Jandke J, Shang T, Yao MY, et al.
    Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd2As2
    Science Advances. 2019; 5(7): eaaw4718 (8 pp.). https://doi.org/10.1126/sciadv.aaw4718
    DORA PSI
  • Mantzaras J
    Progress in non-intrusive laser-based measurements of gas-phase thermoscalars and supporting modeling near catalytic interfaces
    Progress in Energy and Combustion Science. 2019; 70: 169-211. https://doi.org/10.1016/j.pecs.2018.10.005
    DORA PSI
  • Maxim F, Contescu C, Boillat P, Niceno B, Karalis K, Testino A, et al.
    Visualization of supercritical water pseudo-boiling at Widom line crossover
    Nature Communications. 2019; 10: 4114 (11 pp.). https://doi.org/10.1038/s41467-019-12117-5
    DORA PSI
  • Mayer D, Damberger FF, Samarasimhareddy M, Feldmueller M, Vuckovic Z, Flock T, et al.
    Distinct G protein-coupled receptor phosphorylation motifs modulate arrestin affinity and activation and global conformation
    Nature Communications. 2019; 10: 1261 (14 pp.). https://doi.org/10.1038/s41467-019-09204-y
    DORA PSI
  • Mora DF, Niffenegger M, Qian G, Jaros M, Niceno B
    Modelling of reactor pressure vessel subjected to pressurized thermal shock using 3D-XFEM
    Nuclear Engineering and Design. 2019; 353: 110237 (13 pp.). https://doi.org/10.1016/j.nucengdes.2019.110237
    DORA PSI
  • Moreau V, Profir M, Alemberti A, Frignani M, Merli F, Belka M, et al.
    Pool CFD modelling: lessons from the SESAME project
    Nuclear Engineering and Design. 2019; 355: 110343 (12 pp.). https://doi.org/10.1016/j.nucengdes.2019.110343
    DORA PSI
  • Mudry C, Furusaki A, Morimoto T, Hikihara T
    Quantum phase transitions beyond Landau-Ginzburg theory in one-dimensional space revisited
    Physical Review B. 2019; 99(20): 205153 (22 pp.). https://doi.org/10.1103/PhysRevB.99.205153
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Nagata T, Koyanagi M, Tsukamoto H, Mutt E, Schertler GFX, Deupi X, et al.
    The counterion–retinylidene Schiff base interaction of an invertebrate rhodopsin rearranges upon light activation
    Communications Biology. 2019; 2: 180 (9 pp.). https://doi.org/10.1038/s42003-019-0409-3
    DORA PSI
  • Narozhny BN, Schütt M
    Magnetohydrodynamics in graphene: shear and Hall viscosities
    Physical Review B. 2019; 100(3): 035125 (13 pp.). https://doi.org/10.1103/PhysRevB.100.035125
    DORA PSI
  • Nesteruk KP, Calzolaio C, Meer D, Rizzoglio V, Seidel M, Schippers JM
    Large energy acceptance gantry for proton therapy utilizing superconducting technology
    Physics in Medicine and Biology. 2019; 64(17): 175007 (13 pp.). https://doi.org/10.1088/1361-6560/ab2f5f
    DORA PSI
  • Neveu N, Spentzouris L, Adelmann A, Ineichen Y, Kolano A, Metzger-Kraus C, et al.
    Parallel general purpose multiobjective optimization framework with application to electron beam dynamics
    Physical Review Accelerators and Beams. 2019; 22(5): 054602 (11 pp.). https://doi.org/10.1103/PhysRevAccelBeams.22.054602
    DORA PSI
  • Niedermayer U, Adelmann A, Bettoni S, Calvi M, Dehler M, Ferrari E, et al.
    Challenges in simulating beam dynamics of dielectric laser acceleration
    International Journal of Modern Physics A. 2019; 34(36): 1942031 (15 pp.). https://doi.org/10.1142/S0217751X19420314
    DORA PSI
  • Ok S, Choo K, Mudry C, Castelnovo C, Chamon C, Neupert T
    Topological many-body scar states in dimensions one, two, and three
    Physical Review Research. 2019; 1(3): 033144 (11 pp.). https://doi.org/10.1103/PhysRevResearch.1.033144
    DORA PSI
  • Papini D, Andreani M, Steiner P, Ničeno B, Klügel J-U, Prasser H-M
    Evaluation of the PAR mitigation system in Swiss PWR containment using the GOTHIC code
    Nuclear Technology. 2019; 205(1-2): 153-173. https://doi.org/10.1080/00295450.2018.1505356
    DORA PSI
  • 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
    DORA PSI
  • Ponomarev A, Mikityuk K
    Analysis of hypothetical Unprotected Loss Of Flow in Superphénix start-up core: sensitivity to modeling details
    In: Vol. 2019.27. The proceedings of the international conference on nuclear engineering (ICONE). sine loco: The Japan Society of Mechanical Engineers; 2019.
    DORA PSI
  • Posternak M, Baldereschi A, Delley B
    Adsorption of HPOx and CaHPOx (x=1, …,4) molecules on anatase TiO2(001) surfaces
    Surface Science. 2019; 679: 93-98. https://doi.org/10.1016/j.susc.2018.09.002
    DORA PSI
  • Puragliesi R, Mukin R, Clifford I, Ferroukhi H, Seidl M
    Comparison of computational fluid dynamics and subchannel numerical solutions of fuel assemblies characterized by bowing
    In: 18th international topical meeting on nuclear reactor thermal hydraulics (NURETH-18). La Grange Park: American Nuclear Society (ANS); 2019.
    DORA PSI
  • Radman S, Fiorina C, Mikityuk K, Pautz A
    A coarse-mesh methodology for modelling of single-phase thermal-hydraulics of ESFR innovative assembly design
    Nuclear Engineering and Design. 2019; 355: 110291 (17 pp.). https://doi.org/10.1016/j.nucengdes.2019.110291
    DORA PSI
  • 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
    DORA PSI
  • Rochman D, Vasiliev A, Ferroukhi H, Pelloni S, Bauge E, Koning A
    Correlation ν̅ p – σ for U-Pu in the thermal and resonance neutron range via integral information
    European Physical Journal Plus. 2019; 134: 453 (12 pp.). https://doi.org/10.1140/epjp/i2019-12875-7
    DORA PSI
  • 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
    DORA PSI
  • Sato Y, Niceno B, Smith BL
    Departure from Nucleate Boiling (DNB) simulations based on an interface tracking method
    In: 18th international topical meeting on nuclear reactor thermal hydraulics (NURETH 2019). La Grange Park: American Nuclear Society (ANS); 2019.
    DORA PSI
  • Schildknecht D, Schütt M, Heyderman LJ, Derlet PM
    Continuous ground-state degeneracy of classical dipoles on regular lattices
    Physical Review B. 2019; 100: 014426 (7 pp.). https://doi.org/10.1103/PhysRevB.100.014426
    DORA PSI
  • Sendetskyi O, Scagnoli V, Leo N, Anghinolfi L, Alberca A, Lüning J, et al.
    Continuous magnetic phase transition in artificial square ice
    Physical Review B. 2019; 99(21): 214430 (11 pp.). https://doi.org/10.1103/PhysRevB.99.214430
    DORA PSI
  • Shams A, Roelofs F, Niceno B, Guo W, Angeli D, Stalio E, et al.
    Reference numerical database for turbulent flow and heat transfer in liquid metals
    Nuclear Engineering and Design. 2019; 353: 110274 (18 pp.). https://doi.org/10.1016/j.nucengdes.2019.110274
    DORA PSI
  • Sui R, Mantzaras J, Bombach R
    H2 and CO heterogeneous kinetic coupling during combustion of H2/CO/O2/N2 mixtures over rhodium
    Combustion and Flame. 2019; 202: 292-302. https://doi.org/10.1016/j.combustflame.2019.01.021
    DORA PSI
  • Sui R, Mantzaras J, Es-sebbar E-touhami, Bombach R
    Hetero-/homogeneous combustion of fuel-lean CH4/O2/N2 mixtures over PdO at elevated pressures
    Proceedings of the Combustion Institute. 2019; 37(4): 5465-5472. https://doi.org/10.1016/j.proci.2018.05.112
    DORA PSI
  • Testa P, Style RW, Cui J, Donnelly C, Borisova E, Derlet PM, et al.
    Magnetically addressable shape‐memory and stiffening in a composite elastomer
    Advanced Materials. 2019; 31(29): 1900561 (6 pp.). https://doi.org/10.1002/adma.201900561
    DORA PSI
  • Tsai C-J, Marino J, Adaixo R, Pamula F, Muehle J, Maeda S, et al.
    Cryo-EM structure of the rhodopsin-Gαi-βγ complex reveals binding of the rhodopsin C-terminal tail to the gβ subunit
    eLife. 2019; 8: e46041 (19 pp.). https://doi.org/10.7554/eLife.46041
    DORA PSI
  • Tsujino S, Sato Y, Takeda Y, Tomizaki T
    Oscillation resonances and anisotropic damping of the motion of acoustically levitated droplets in single-axis acoustic levitators
    Applied Physics Letters. 2019; 115: 053702 (5 pp.). https://doi.org/10.1063/1.5112109
    DORA PSI
  • Varma N, Mutt E, Mühle J, Panneels V, Terakita A, Deupi X, et al.
    Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(29): 14574-14556. https://doi.org/10.1073/pnas.1902192116
    DORA PSI
  • Werner P, Eckstein M, Müller M, Refael G
    Light-induced evaporative cooling of holes in the Hubbard model
    Nature Communications. 2019; 10: 5556 (7 pp.). https://doi.org/10.1038/s41467-019-13557-9
    DORA PSI
  • Xu H, Locans U, Adelmann A, Stingelin L
    Calculation of longitudinal collective instabilities with mbtrack-cuda
    Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2019; 922: 345-351. https://doi.org/10.1016/j.nima.2019.01.041
    DORA PSI
  • Yang Z-C, Iadecola T, Chamon C, Mudry C
    Hierarchical Majoranas in a programmable nanowire network
    Physical Review B. 2019; 99(15): 155138 (15 pp.). https://doi.org/10.1103/PhysRevB.99.155138
    DORA PSI
  • Adelmann A, Rogers C, Sheehy SL
    Fixed Field Accelerators and space charge modeling
    In: Schaa VRW, ed. Proceedings of the 61st ICFA advanced beam dynamics workshop on high-intensity and high-brightness hadron beams. Vol. 61. ICFA advanced beam dynamics workshop. Geneva, Switzerland: JACoW Publishing; 2018. https://doi.org/10.18429/JACoW-HB2018-TUP1WA02
    DORA PSI
  • 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 (21 pp.). https://doi.org/10.3390/app8030443
    DORA PSI
  • 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
    DORA PSI
  • Andreani M, Kapulla R
    Analyses of gas stratification erosion by a vertical jet in presence of an obstacle using the GOTHIC code
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Thermal hydraulics and safety analyses. Vol. 6B. New York: American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-82360
    DORA PSI
  • Andreani M, Paladino D, Papini D
    Multi-step planning calculations with the GOTHIC code used for the design of complex experiments in the PANDA facility
    Nuclear Engineering and Design. 2018; 339: 116-125. https://doi.org/10.1016/j.nucengdes.2018.09.005
    DORA PSI
  • 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
    DORA PSI
  • Arani BO, Mantzaras J, Frouzakis CE, Boulouchos K
    Hetero-/homogeneous chemistry interactions and flame formation during methane catalytic partial oxidation in rhodium-coated channels
    Combustion and Flame. 2018; 198: 320-333. https://doi.org/10.1016/j.combustflame.2018.09.029
    DORA PSI
  • 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
    DORA PSI
  • Badreddine H, Lafferty N, Ničeno B, Prasser H-M
    Corrective interface tracking approach to simulate finite-size bubbly flows
    Chemical Engineering Science. 2018; 178: 61-69. https://doi.org/10.1016/j.ces.2017.12.028
    DORA PSI
  • Badreddine H, Ničeno B
    Simulations of droplet merging with free surface and bubble column reactor with finite-size Lagrangian particle tracking
    Chemical Engineering Science. 2018; 176: 609-621. https://doi.org/10.1016/j.ces.2017.10.037
    DORA PSI
  • 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
    DORA PSI
  • 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): 024412 (12 pp.). https://doi.org/10.1103/PhysRevB.98.024412
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Derlet PM, Maaß R
    Local volume as a robust structural measure and its connection to icosahedral content in a model binary amorphous system
    Materialia. 2018; 3: 97-106. https://doi.org/10.1016/j.mtla.2018.08.006
    DORA PSI
  • 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
    DORA PSI
  • Di Filippo M, Krepel J, Mikityuk K, Prasser H-M
    Analysis of major group structures used for nuclear reactor simulations
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Student paper competition. New York: American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81445
    DORA PSI
  • 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: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Nuclear fuel and material, reactor physics, and transport theory. New York: American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81574
    DORA PSI
  • 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
    DORA PSI
  • 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.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Jekal S
    Dependence of atomic thickness on interfacial conditions and magnetocrystalline anisotropy in SmCo5/Sm2Co17 multilayer
    Materials. 2018; 12(1): 56 (7 pp.). https://doi.org/10.3390/ma12010056
    DORA PSI
  • Kalilainen J, Kim H, Dehbi A, Lind T
    Aerosol depletion in natural circulation in simplified geometry
    In: International congress on advances in nuclear power plants (ICAPP 2018). Vol. 1. Illinois: American Nuclear Society; 2018.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Küchemann S, Derlet PM, Liu C, Rosenthal D, Sparks G, Larson WS, et al.
    Energy storage in metallic glasses via flash annealing
    Advanced Functional Materials. 2018; 28(50): 1805385 (9 pp.). https://doi.org/10.1002/adfm.201805385
    DORA PSI
  • Lehmann J, Donnelly C, Derlet PM, Heyderman LJ, Fiebig M
    Poling of an artificial magneto-toroidal crystal
    Nature Nanotechnology. 2018; 14(2): 141-144. https://doi.org/10.1038/s41565-018-0321-x
    DORA PSI
  • 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 (8 pp.). https://doi.org/10.1038/s41467-018-05216-2
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Mambelli S, Mikityuk K, Panadero A-L
    Chugging boiling in low-void SFR core: new phenomenology of unprotected loss of flow
    In: Fast reactors and related fuel cycles: next generation nuclear systems for sustainable development (FR17). Proceedings of an international conference organized by the International Atomic Energy Agency, hosted by the government of the Russian Federation through the state atomic energy corporation "Rosatom" and held in Yekaterinburg, Russian Federation, 26–29 June 2017. Vol. CN245. Proceedings series (International Atomic Energy Agency). Vienna: International Atomic Energy Agency; 2018.
    DORA PSI
  • 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.
    DORA PSI
  • Mikityuk K, Ponomarev A
    Use of CAD models in ESFR-SMART project
    Presented at: GIF Symposium; October 16-17, 2018; Paris, France.
    DORA PSI
  • 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
    DORA PSI
  • Ngayam-Happy R, Cozzo C, Khvostov G, Krack M, Ferroukhi H
    Fuel thermo-mechanical simulations with uncertainty quantification and sensitivity analysis of the OECD/NEA RIA code benchmark using FALCON and URANIE
    Presented at: ANS Best estimate plus uncertainty International conference (BEPU 2018); May 13-18, 2018; Lucca, Italy.
    DORA PSI
  • Palkin E, Hadžiabdić M, Mullyadzhanov R, Hanjalić K
    Control of flow around a cylinder by rotary oscillations at a high subcritical Reynolds number
    Journal of Fluid Mechanics. 2018; 855: 236-266. https://doi.org/10.1017/jfm.2018.639
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Ponomarev A, Bednarova A, Mikityuk K
    New sodium fast reactor neutronics benchmark
    In: Proceedings of the PHYSOR 2018. LaGrange Park, IL, USA: American Nuclear Society; 2018.
    DORA PSI
  • 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 BaDy2O4 and BaHO2O4
    Physical Review B. 2018; 94(14): 144428 (12 pp.). https://doi.org/10.1103/PhysRevB.98.144428
    DORA PSI
  • Puragliesi R, Mukin R, Clifford I, Ferroukhi H, Seidl M
    Computational fluid dynamics as a tool for deriving subchannel model parameters - The PSBT case study
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Computational fluid dynamics (CFD); nuclear education and public acceptance. Vol. 8. New York: American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81743
    DORA PSI
  • Radman S, Fiorina C, Mikityuk K, Pautz A
    A simplified numerical benchmark for pool-type sodium fast reactors
    In: Proceedings of the 26th international conference on nuclear engineering. New York: American Society of Mechanical Engineers (ASME); 2018.
    DORA PSI
  • Rineiski A, Meriot C, Marchetti M, Krepel J
    Core safety measures in ESFR-SMART
    In: Proceedings of the PHYSOR 2018. ; 2018.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Rodríguez-Arias I, Müller M, Rosso A, De Luca A
    Exactly solvable model for dynamic nuclear polarization
    Physical Review B. 2018; 98(22): 224202 (15 pp.). https://doi.org/10.1103/PhysRevB.98.224202
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Schildknecht D, Heyderman LJ, Derlet PM
    Phase diagram of dipolar-coupled XY moments on disordered square lattices
    Physical Review B. 2018; 98(6): 064420 (9 pp.). https://doi.org/10.1103/PhysRevB.98.064420
    DORA PSI
  • Shams A, Edh N, Angele K, Veber P, Howard R, Braillard O, et al.
    Synthesis of a CFD benchmarking exercise for a T-junction with wall
    Nuclear Engineering and Design. 2018; 330: 199-216. https://doi.org/10.1016/j.nucengdes.2018.01.049
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Thiery T, Huveneers F, Müller M, De Roeck W
    Many-body delocalization as a quantum avalanche
    Physical Review Letters. 2018; 121(14): 140601 (6 pp.). https://doi.org/10.1103/PhysRevLett.121.140601
    DORA PSI
  • 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 (9 pp.). https://doi.org/10.1126/sciadv.aat7052
    DORA PSI
  • Uzair A, Sabeeh K, Müller M
    Collision-dominated conductance in clean two-dimensional metals
    Physical Review B. 2018; 98(3): 035421 (16 pp.). https://doi.org/10.1103/PhysRevB.98.035421
    DORA PSI
  • Venot O, Bénilan Y, Fray N, Gazeau M-C, Lefèvre F, Es-sebbar E, et al.
    VUV-absorption cross section of carbon dioxide from 150 to 800 K and applications to warm exoplanetary atmospheres
    Astronomy and Astrophysics. 2018; 609: A34 (13 pp.). https://doi.org/10.1051/0004-6361/201731295
    DORA PSI
  • Vitullo F, Krepel J, Kalilainen J, Prasser H-M, Pautz A
    Statistical burnup distribution of moving pebbles in HTR-PM reactor
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Student Paper Competition. New York: American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81082
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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 (8 pp.). https://doi.org/10.1002/andp.201800270
    DORA PSI

Contact

Laboratory for Scientific
Computing and Modelling
Paul Scherrer Institute
OHSA/D10
5232 Villigen PSI
Switzerland

Head of Laboratory a.i.
Dr. Andreas Adelmann
Telephone: +41 56 310 4233
E-mail: Andreas.Adelmann@psi.ch

Secretary
Viviana Sabatini
Telephone: +41 56 310 2592
E-mail: Viviana.Sabatini@psi.ch

NES Open positions

Current job openings in the Research Division for Nuclear Energy and Safety

Directions to PSI

How to get to the Paul Scherrer Institute (description and map)