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Klima (14)

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Anders, F. B. (2010). Quantum transport through nano-devices: a numerical renormalization group approach to open quantum systems NIC Symposium 2010, Jülich.

Anders, F. B. and S. Schmitt (2010). "Quantum transport through a quantum dot: Combining the scattering-states numerical renormalization group with nonequilibrium Green functions." J. Phys.: Conf. Ser. 220: 012021.

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Mutter, D., C. Schieback, et al. (2010). Numerical Studies of Structures and Phases in (Nano-) Systems in Reduced Geometry, p. 21. NIC Symposium 2010, Jülich.

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West, B. and F. Schmid (2010). "Fluctuations and Elastic Properties of Lipid Membranes in the Gel L_b' State: A Coarse-Grained Monte Carlo Study." Soft Matter 6: 1275-1280.

West, B. and F. Schmid (2010). Membrane-Protein Interactions in Lipid Bilayers: Molecular Simulations versus Elastic Theory. NIC Symposium. G. Münster, D. Wolf and M. Kremer. Jülich: page 279.

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Yi, Z. (2010). Ab-initio Study of Semi-conductor and Metallic Systems: from Density Funktional Theorie to Many Body Perturbation Theory, Universität Osnabrück. Ph. D. Thesis.

Yi, Z., Y. Ma, et al. (2010). "Quasiparticle band structures and lifetimes in noble metals using Gaussian orbital basis sets." Phys. Rev. B 81: 125125.

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Materialwissenschaft (27)

Akola, J., K. A. Kacprzak, et al. (2010). "Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals." J. Phys. Chem. C 114: 15986–15994.

Barasinski, A., P. Sobczak, et al. (2010). "Anisotropy and magnetic properties of the bimetallic thiocyanate-bridged chains: Density-matrix renormalization approach." Polyhedron 29: 1485–1491.

Ensling, D., A. Thissen, et al. (2010). "Electronic structure of LiCoO₂ thin films: A combined photoemission spectroscopy and density functional theory study." Phys. Rev. B 82: 195431.

Gruner, M. E. (2010). "Chemical trends in structure and magnetism of bimetallic nanoparticles from atomistic calculations." Journal of Physics D: Applied Physics 43: 474008.

Gruner, M. E. (2010). "Core-shell morphologies of FePt and CoPt nanoparticles: An ab initio comparison." J. Phys.: Conf. Ser. 200: 072039.

Gruner, M. E. (2010). "First-principles study of static displacements in Fe-Pd magnetic shape-memory alloys." Mater. Res. Soc. Symp. Proc. 1200E:1200-G04-04.

Gruner, M. E., W. A. Adeagbo, et al. (2010). "Lattice dynamics and structural stability of ordered Fe3Ni, Fe3Pd and Fe3Pt alloys using density functional theory." Phys. Rev. B 81: 064109.

Jiang, D.-E., M. Walter, et al. (2010). "On the Structure of a Thiolated Gold Cluster: Au_44(SR)_28^2-." J. Phys. Chem. C 114: 15986–15994.

Kissinger, G., J. Dabrowski, et al. (2010). "Rate Equation Modeling, Ab Initio Calculation, and High Sensitive FTIR Investigations of the Early Stages of Oxide Precipitation in Vacancy-rich CZ Silicon." Solid State Phenom.(211 ).

Kissinger, G., D. Kot, et al. (2010). Initial Stages of Oxygen and Vacancy Agglomeration: Kinetics and Getter Effects. The Forum on the Science and Technology of Silicon Materials 2010, p. 35. Y. Kamura, A. Ogura and Y. Yamashita.

Kotakoski, J. (2010). Atomistic Simulations on Polymeric Nitrogen. NIC Symposium 2010, p. 105. G. Münster, D. Wolf and M. Kremer. Jülich.

Lupina, G., O. Seifarth, et al. (2010). "Characterization of group II hafnates and zirconates for metal-insulator-metal capacitors." Phys. Status Solidi B 248 323-326

Magiera, M. P. and D. E. Wolf (2010). Simulation of Magnetic Friction. NIC Symposium 2010, P. 243. G. Münster, D. E. Wolf and M. Kremer. Jülich.

Pshenay-Severin, E., F. Setzpfandt, et al. (2010). "Experimental determination of the dispersion relation of light in metamaterials by white-light interferometry." Journal of Optical Society of America B 27: 660.

Redel, E., M. Walter, et al. (2010). "Stop-and-go, stepwise and "ligand-free" nucleation, nanocrystal growth and formation of Au-NPs in ionic liquids." Chem. Comm. 46: 1159-1161.

Sahoo, S., A. Hucht, et al. (2010). "Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study." Phys. Rev. B 82: 054418.

Saubanère, M., J. L. Ricardo-Chavez, et al. (2010). "Electronic and magnetic properties of Co and Ni impurities in Cu wires: First-principles investigation of local moment formation in one dimension." Phys. Rev. B 82: 054436.

Seino, K., F. Bechstedt, et al. (2010). "Band alignment at a nonplanar Si/SiO2 interface." Phys. Rev. B 82: 085320.

Siewert, M., M. E. Gruner, et al. (2010). "Electronic structure and lattice dynamics of the magnetic shape-memory alloy Co₂NiGa." Phys. Rev. B 82: 064420.

Stärk, B., P. Krüger, et al. (2010). "Cobalt multilayers on diamond surfaces: An ab initio study." Phys. Rev. B 81: 035321.

Stärk, B., P. Krüger, et al. (2010). "Cobalt multilayers on diamond surfaces: An ab-initio study." Phys. Rev. B 81: 035321.

Stärk, B., P. Krüger, et al. (2010). Magnetic Properties of Co and Ni Multilayers on Diamond Surfaces. NIC Symposium 2010, Jülich.

Stukowski, A. (2010). Atomic-scale modeling of nanostructured metals and alloys TU Darmstadt. Ph. D. Thesis.

Stukowski, A. and K. Albe (2010). "Extracting dislocations and non-dislocation crystal defects from atomistic simulation data " Modelling Simul. Mater. Sci. Eng. 18: 085001.

Stukowski, A., K. Albe, et al. (2010). "Nanotwinned fcc metals: Strengthening versus softening mechanisms." Phys. Rev. B 82: 224103.

Walter, M. and M. Moseler (2010). Determination of Structure and Electronic Properties of Free, Supported and Ligands Protected Metal Clusters by Density Functional Theory. NIC Symposium 2010, p. 199. G. Münster, D. Wolf and M. Kremer. Jülich.

Walter, M. and M. Moseler (2010). "How to observe the oxidation of magnesia supported Pd clusters by scanning tunnelling microscopy." Physica status solidi (b) 247: 1016-1022.

Plasmaphysik (4)

Kluge, T., W. Enghardt, et al. (2010). "Efficient laser-ion acceleration from closely stacked ultrathin foils." Physical Review E 82(1): 016405.

Psikal, J., V. T. Tikhonchuk, et al. (2010). " Lateral hot electron transport and ion acceleration in femtosecond laser pulse interaction with thin foils." Physics of Plasmas 17 013102

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Daoulas, K. C., A. Cavallo, et al. (2010). "Directed assembly of supramolecular copolymers in thin films: Thermodynamic and kinetic advantages " Phys. Rev. Lett. 105: 108301.

Daoulas, K. C. and M. Müller (2010). Comparison of Simulations of Lipid Membranes with Membranes of Block Copolymers. Adv. Polym. Sci. 224: 43-85.

Hömberg, M. and M. Müller (2010). "Main phase transition in lipid bilayers: phase coexistence and line tension in a soft, solvent-free, coarse-grained model." J. Chem. Phys. 132: 155104.

Hoy, O., B. Zdyrko, et al. (2010). "Synthetic hydrophilic materials with tunable strength and range of hydrophobic interactions " Adv. Funct. Mater. 20: 2240.

Hsu, H.-P., W. Paul, et al. (2010). "Conformational studies of bottle-brush polymers absorbed on a flat solid surface." J. Chem. Phys. 133: 134902.

Hsu, H.-P., W. Paul, et al. (2010). "Polymer chains stiffness vs. excluded volume: A Monte Carlo study of the crossover towards the worm-like chain model." Europhys. Lett. 92: 28003.

Hsu, H.-P., W. Paul, et al. (2010). "Standard definitions of persistence length do not describe the local ``intrinsic'' stiffness of real polymer chains." Macromolecules 43: 3094.

Hsu, H.-P., W. Paul, et al. (2010). "Characteristic length scales and radial monomer density profiles of molecular bottle-brushes: simulation and experiment." Macromolecules 43 1592.

Möddel, M., W. Janke, et al. (2010). "Systematic Microcanonical Analyses of Polymer Adsorption Transitions." Phys. Chem. Chem. Phys. 12: 11548.

Norizoe, Y., K. C. Daoulas, et al. (2010). "Measuring excess free energies of self-assembled membrane structures." Faraday Discussion 144: Multiscale Modelling of Soft Matter: 363.

Reith, D. and P.Virnau (2010). "Implementation and performance analysis of bridging Monte Carlo moves for off-lattice single chain polymers in globular states." Comput. Phys. Commun. 181: 800.

Rossinsky, E. (2010). Molecular simulations of transport in liquids and polymers. Darmstadt, TU Darmstadt. PhD.

Stoykovich, M. P., K. C. Daoulas, et al. (2010). "Remediation of line edge roughness in chemical nano-patterns by the directed assembly of overlying block copolymer films." Macromolecules 43: 2334.

Theodorakis, P. E., W. Paul, et al. (2010). "Interplay between chain collapse and microphase separation in bottle-brush polymers with two types of side chains." Macromolecules 43: 5137.

Theodorakis, P. E., W. Paul, et al. (2010). "Pearl-necklace structures of molecular brushes with rigid backbone under poor solvent conditions: A simulation study." J. Chem. Phys. 133: 104901.

Wang, J. and M. Müller (2010). "Memory effects of diblock copolymer brushes and mixed brushes." Langmuir 26: 1291.

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Navrátil, P., S. Quaglioni, et al. (2011). "Ab Initio Theory of Light-ion Reactions in:Proceedings of the International Nuclear Physics Conference INPC 2010." Journal of Physics: Conference Series 2011: arXiv:1009.3965.

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Bailon-Cuba, J., M. S. Emran, et al. (2010). "Aspect ratio dependence of heat transfer and large-scale flow in turbulent convection." J. Fluid Mech. 655: 152-173.

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Behbahani, M., J. Nam, et al. (2010). Modeling and numerical analysis of platelet activation adhesion and aggregation in artificial organs. American Society of Artificial Organs (ASAIO) May 2010.) Baltimore, USA

Behbahani, M., M. Probst, et al. (2010). Numerical prediction of blood damage in biomedical devices. Proceedings of the Biomedica Life Science Summit Aachen Germany March 2010.

Behbahani, M., M. Probst, et al. (2010). "The influence of high shear on thrombosis and hemolysis in artificial organs." The International Journal of Artificial Organs 33: 426

Boeck, T. (2010). Coherent structures, instabilities, and turbulence in interfacial and magnetohydrodynamic flows, TU Ilmenau. Habilitation.

Boeck, T., D. Krasnov, et al. (2010). "Statistics of velocity gradients in wall-bounded shear flow turbulence." Physica D 239: 1258-1263.

Boltes, M., H. Zilken, et al. (2010). "The Lagrangian perspective of heat transfer in convective turbulence (Gallery of Nonlinear Images)." Chaos 20(4): 041109.

Bosco, A., L. Brown, et al. (2010). Experimental and Numerical Analysis of an Hypersonic Compression Corner for Testing the Prediction Capability of a Reynolds Stress Model. Proceedings of 8th International ERCOFTAC Symposium on Engineering Turbulence, Modelling, and Measurements, Marseille, France

Bosco, A. and B. Reinartz (2010). Study of Compressible and Quasi Incompressible Flows with QUADFLOW Flow Solver. NIC Symposium 2010, pp. 349-355 Jülich.

Chen, B.-H., L. Reimer, et al. (2010). Pre-investigations of a Redesigned HIRENASD Wing Model in Preperation for New Aero-Structural Dynamic Experiments in ETW. High performance Computing in Science and Engineering '09, pp. : 411-425. Stuttgart.

Emran, M. S. and J. Schumacher (2010). "Lagrangian tracer dynamics in a closed cylindrical turbulent convection cell." Phys. Rev. E 82: 016303.

Foysi, H., G. Geiser, et al. (2010). Effect of filter width on jet aeroacoustics. 16th AIA/CEAS Aeroacoustics Conference. Stockholm, Sweden, AIAA-2010-3845.

Foysi, H., J. P. Mellado, et al. (2010). "Large-eddy simulation of variable-density round and plane jets." Int. J. of Heat and Fluid Flow 31: 307–314.

Foysi, H., M. Mellado, et al. (2010). "Simulation and Comparison of Variable Density Round and Plane Jets." International Journal of Heat & Fluid Flow 31: 307-314.

Foysi, H. and S. Sarkar (2010). "The compressible mixing layer: an LES study." Theor. Comput. Fluid Dyn. 24: 565–588.

Geiser, G., H. Foysi, et al. (2010). On Sound Generated by a Globally Unstable Round Jet. High Performance Computing on Vector Systems 2010, Part 4, pp. 123-136, Springer.

Geiser, G., S. Koh, et al. (2010). Sound Generation of Variable Density Jets. 16th AIA/CEAS Aeroacoustics Conference. Stockholm, Sweden, AIAA-2010-3844.

Gosh, S., H. Foysi, et al. (2010). "Compressible Turbulent Channel and Pipe Flow: Similarities and Differences." Journal of Fluid Mechanics 648: 155-181.

Homann, H. and J. Bec (2010). "Finite-size effects in the dynamics of neutrally buoyant particles in turbulent flow." J. Fluid Mech. 651: 81-91.

Jansen, S., M. Behbahani, et al. (2010). 3D stereo-PIV validation for CFD-simulation of steady flow through the human aorta using rapid-prototyping techniques. IV International Symposium on Modelling of Physiological Flows Sardinia, Italy

Jansen, S., M. Behbahani, et al. (2010). Validation of CFD with PIV and other methods Part II. European Society of Artificial Organs (ESAO) Skopje, Macedonia

Jansen, S., M. Behbahani, et al. (2010). "Investigation of steady flow through a realistic model of the thoracic human aorta using 3D stereo-PIV and CFD-simulation." ASAIO Journal 56: 98.

Khirevich, S. (2010). High-Performance Computing of Flow, Diffusion, and Hydrodynamic Dispersion in Random Sphere Packings, Philipps University of Marburg. Ph. D. Thesis.

Michaeli, W., C. Windeck, et al. (2010). Concept for die modularisation applied on profile extrusion. Proceedings of the 26th Annual Meeting of the Polymer Processing Society. Banff, Canada

Nam, J., D. Arora, et al. (2010). New method for computing hemolysis in complex flows. XVIth International Workshop on Numerical Methods for Non-Newtonian Fluids Northhampton, USA

Nam, J., D. Arora, et al. (2010). "New computational method in tensor-based hemolysis analysis for artificial heart pump." ASAIO Journal 56: 98

Nguyen, T., M. Vukovic, et al. (2010). Numerical Study of Shock-Wave Turbulent Boundary Layer Interactions at Compression Corners. Proceedings of the 8th Euromech Fluid Mechanics Conference, pp. 6-26 Bad Reichenhall, European Mechanics Society

Nicolai, M., S. Elgeti, et al. (2010). Shape Optimization for Fluids using T-Splines for Shape Representation. 81st Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM) Karlsruhe, Germany Wiley, Proceedings in Applied Mathematics and Mechanics: 10

Pauluis, O. and J. Schumacher (2010). "Idealized moist Rayleigh-Benard convection with piecewise linear equation of state." Comm. Math. Sci. 8: 295.

Probst, M., M. Behbahani, et al. (2010). Hemodynamic Modeling for Numerical Analysis and Design of Medical Devices. NIC Symposium 2910, Jülich.

Probst, M., M. Lülfesmann, et al. (2010). "Sensitivity analysis for artificial grafts using automatic differentiation." International Journal for Numerical Methods in Fluids 62: 1042-1062.

Probst, M., M. Lülfesmann, et al. (2010). "Sensitivity of optimal shapes of artificial grafts with respect to flow parameters." Computer Methods in Applied Mechanics and Engineering 199: 997-1005.

Probst, M., M. Nicolai, et al. (2010). Shape optimization in support of the design of heart assist devices. 2nd International Conference on Engineering Optimization Lisbon, Portugal

Schäfer, P., M. Gampert, et al. (2010). "Testing of model equations for the mean dissipation using Kolmogorov flows." Flow, Turbulence and Combustion 85(2): 1-19.

Schlauch, E., V. Becker, et al. (2010). Finite Element Simulations of Colloidal Aggregates under Shear Flow Conditions. Proceedings of the V European Conference on Computational Fluid Dynamics ECCOMAS CFD Lisbon, Portugal

Schumacher, J., B. Eckhardt, et al. (2010). "Extremal vorticity growth in Navier-Stokes turbulence." Phys. Lett. A 374: 861.

Schumacher, J. and O. Pauluis (2010). "Buoyancy statistics in moist turbulent Rayleigh-Benard convection." J. Fluid Mech. 648: 509.

Sreenivasan, K. R. and J. Schumacher (2010). "Lagrangian views on passive scalar turbulent mixing." Phil. Trans. Roy. Soc. 368: 1561.

Vire, A., D. Krasnov, et al. (2010). Large Eddy Simulation of a Turbulent Magnetohydrodynamic Channel Flow. Direct and Large-Eddy Simulation VII: Proceedings of the Seventh International ERCOFTAC Workshop on Direct and Large-Eddy Simulation, Springer, ISBN 9783642030857, pp. 147-152.

Wang, L. (2010). "On properties of fluid turbulence along streamlines." J. Fluid Mech. 648: 183-203.

Wang, L. and N. Peters (2010). "Mean velocity increment conditioned on gradient trajectorie of various scalar variables in turbulence." Physica Scripta T142: 014004.

Weidauer, T., O. Pauluis, et al. (2010). "Cloud patterns and mixing properties in shallow moist Rayleigh-Benard convection." New J. Phys. 12: 105002.

Zeng, P., B. Binninger, et al. (2010). Direct Numerical Simulation of Spray Primary Breakup with Phase Transition. Proceedings of the SPRAY 2010 Workshop, pp.309-316. Heidelberg.

Zeng, P., B. Binninger, et al. (2010). Numerical investigation of spray primary breakup with phase transition. Proceedings of the ETMM8 - 8th International ERCOFTAC Symposium on Engineering Turbulence Modelling and Measurements. ERCOFTAC. Vol. 3/3, 782-787.

Umwelt (14)

Brockmann, J., B. Kargoll, et al. (2010). GOCE Data Analysis: From Calibrated Measurements to the Global Earth Gravity Field. System Earth via Geodetic-Geophysical Space Techniques. L. Stroink, V. Mosbrugger, G. Weferet al, Springer Berlin Heidelberg: 213-229.

Heinold, B., I. Tegen, et al. (2011). "Simulations of the 2010 Eyjafjallajökull volcanic ash dispersal over Europe using COSMO–MUSCAT." Atmospheric Environment 48: 195–204.

Jahn, S. (2010). "Aqueous fluids at high pressures and temperatures: Insights from molecular simulations and experiments." Geochimica et Cosmochimica Acta 74: A455.

Jahn, S. and C. Schmidt (2010). "Speciation in aqueous MgSO4 fluids at high pressures and high temperatures from ab initio molecular dynamics and Raman spectroscopy." Journal of Physical Chemistry B 114: 15565-15572.

Lieber, M., V. Grützun, et al. (2010). "FD4: A Framework for Highly Scalable Load Balancing and Coupling of Multiphase Models." AIP Conference Proceedings 1281(1): 1639-1642.

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Schuh, W.-D., J. M. Brockmann, et al. (2010). Adaptive optimization of GOCE gravity field modeling. Proceedings, NIC Symposium 2010, pp. 313-320. D. W. G. Münster, M. Kremer. Jülich.

Schuh, W.-D., J. M. Brockmann, et al. (2010). Refinement of the Stochastic Model of GOCE Scientific Data and its Effect on the in situ Gravity Field Solution. In: ESA Living Planet Symposium. Bergen, ESA SP-686.

Spiekermann, G. and S. Jahn (2010). "Ab initio molecular dynamics study of single phase SiO2-H2O fluids at supercritical conditions." Geochimica et Cosmochimica Acta 74: A982.

Suklitsch, M. (2010). Non-hydrostatic climate modelling: Error Ranges and Sensitivity Studies. Wegener Center for Climate and Global Change, Universität Graz. Ph. D. Thesis.

Truhetz, H. (2010). High resolution wind field modelling over complex topography: analysis and future scenarios. Wegener Center for Climate and Global Change, Universität Graz. Ph. D. Thesis.

Wolke, R., M. Schlegel, et al. (2010). Coupled time-integration of chemical and aerosol dynamical processes by using multirate implicit-explicit schemes. Air pollution modeling and its application XX, pp. 475-478. Dordrecht, Springer.