Publications
S. Ayodele, F. Varnik, D. Raabe, Transverse diffusive mixing of solutes in pressure driven microchannels: a Lattice Boltzmann study of the scaling laws La Houille Blanche, International Water Journal 6 93 - 100 (2009) abstract
A. Saeed-Akbari, J. Imlau, U. Prahl, et al. Derivation and variation in composition-dependent stacking fault energy maps based on subregular solution model in high-manganese steels Metallurgical and Materials Transactions A 40A 3076-3090 (2009) abstract
P. K. Galenko, S. Reutzel, D. M. Herlach, et al. Dendritic solidification in undercooled Ni-Zr-Al melts: experiments and modeling Acta Materialia 57 6166-6175 (2009) abstract
Y. Liu, L. Zhang, Y. Du, et al. Ferromagnetic ordering and mobility end-members for impurity diffusion in bcc Fe CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 33 732-736 (2009) abstract
A. Aghajani, F. Richter, C. Somsen, et al. On the formation and growth of Mo-rich Laves phase particles during long-term creep of a 12% chromium tempered martensite ferritic steel Scripta Materialia 61 1068-1071 (2009) abstract
R. Janisch, C. Elsässer, Interstitial impurities at grain boundaries in metals: insight from atomistic calculations International Journal of Materials Research 100 1488-1493 (2009) abstract
Y. Liu, D. Liang, L. Zhang, Thermodynamic Descriptions for the Sn-Te and Pb-Sn-Te Systems Journal of Electronic Materials 39 246-257 (2009) abstract
F. Varnik, K. Binder, Multiscale modelling of polymers at interfaces International Journal of Materials Research 100 1494-1502 (2009) abstract
T. Hammerschmidt, R. Drautz, D. G. Pettifor, Atomistic modelling of materials with bond-order potentials International Journal of Materials Research 100 1479-1487 (2009) abstract
M. Gross, F. Varnik, D. Raabe, Fall and rise of small droplets on rough hydrophobic substrates Europhysics Letters 88 26002, 1-6 (2009) abstract
C. Grossmann, J. Frenzel, V. Sampath, et al. Elementary transformation and deformation processes and the cyclic stability of NiTi and NiTiCu shape memory spring actuators Metallurgical and Materials Transactions A 40 2530-2544 (2009) abstract
N. Warnken, D. Ma, A. Drevermann, et al. Phase-field modelling of as-cast microstructure evolution in nickel-based superalloys Acta Materialia 57 5862-5875 (2009) abstract
B. Eidel, Coupling atomistic accuracy with continuum effectivity for predictive simulations in materials research - the Quasicontinuum method International Journal of Materials Research 100 1503-1512 (2009) abstract
E. Torres, A. T. Blumenau, P. U. Biedermann, The role of gold adatoms in self-assembled monolayers of thiol on Au(111) International Journal of Quantum Chemistry 109 3466 - 3472 (2009) abstract
R. Spatschek, C. Gugenberger, E. A. Brener, Effective elastic moduli in solids with high density of cracks Physical Review B 80 144106, 1-8 (2009) abstract
A. Brener, G. Boussinot, C. Hüter, et al. Pattern formation during diffusional transformations in the presence of triple junctions and elastic effects Journal of Physics - Condensed Matter 21 464106, 1-10 (2009) abstract
L. Lymperakis, M. Friák, J. Neugebauer, Atomistic calculations on interfaces: bridging the length and time scales The European Physics Journal - Special Topics 177 41-57 (2009) abstract
I. Steinbach, Phase-field models in materials science; a tutorial review Modelling and Simulation in Materials Science and Engineering 17 073001-31 (2009) abstract
I. Steinbach, Pattern formation in constrained dendritic growth with solutal buoyancy Acta Materialia 57 2640-2645 (2009) abstract
H. Meier, C. Haberland, J. Frenzel, et al. Selective Laser Melting of NiTi shape memory components Innovative Developments in Design and Manufacturing: Advanced Research in Virtual and Rapid Prototyping 233-238 (2009) abstract
G. Ziegenhain, A. Hartmaier, H. M. Urbassek, Pair vs many-body potentials: influence on elastic and plastic behavior in nanoindentation of fcc metals Journal of the Mechanics and Physics of Solids 57 1514–1526 (2009) abstract
A. Dick, T. Hickel, J. Neugebauer, The effect of disorder on the concentration-dependence of stacking fault energies in Fe1-xMnx - A first principles study Steel Research International 80 603 - 608 (2009) abstract
P. Suwanpinij, J. Rudnizki, U. Prahl, et al. Investigation of the effect of deformation on gamma to alpha phase transformation kinetics in hot-rolled dual phase steel by phase field approach Steel Research International 80 606-622 (2009) abstract
S. G. Fries, B. Boettger, J. Eiken, et al. Upgrading CALPHAD to microstructure simulation: the phase-field method International Journal of Materials Research 100 128-134 (2009) abstract
L. Ferrighi, B. Hammer, G. Madsen, 2D-3D transition for cationic and anionic gold clusters: A kinetic energy density functional study Journal of the American Chemical Society 131 10605-10609 (2009) abstract
R. Garg, A. Hüe, V. Haxha, et al. Tunability of the piezoelectric fields in strained III-V semiconductors Applied Physics Letters 95 041912,1-3 (2009) abstract
S. G. Ayodele, F. Varnik, D. Raabe, Effect of aspect ratio on transverse diffusive broadening: A lattice Boltzmann study Physical Review E 80 016304, 1-9 (2009) abstract
P. Kratzer, T. Hammerschmidt, Atomic processes in molecular beam epitaxy on strained InAs(137): a density-functional theory study Physical Review B 80 035324 (2009) abstract
V. Uthaisangsuk, U. Prahl, W. Bleck, Failure modeling of multiphase steels using representative volume elements based on real microstructures Procedia Engineering 1 171-176 (2009) abstract
D. Peter, G. B. Viswanathan, M. F. Wagner, et al. Grain-boundary sliding in a TiAl alloy with fine-grained duplex microstructure during 750 degrees C creep Materials Science and Engineering A -Structural Materials Properties Microstructure and Processing 510-11 359-363 (2009) abstract
P. Armstrong, C. Knieke, M. Mackovic, et al. Microstructural evolution during deformation of tin dioxide nanoparticles in a comminution process Acta Materialia 57 3060–3071 (2009) abstract
A. Udyansky, J. von Pezold, V. N. Bugaev, et al. Interplay between long-range elastic and short-range chemical interactions on Fe-C martensite formation Physical Review B 79 224112, 1-5 (2009) abstract
B. Sundman, I. Ohnuma, N. Dupin, et al. An assessment of the entire Al-Fe system including DO3 ordering Acta Materialia 57 2896-2908 (2009) abstract
D. Peter, J. Pfetzing, M.F.-X. Wagner, et al. Microstructural anisotropy, uniaxial and biaxial creep behavior of Ti-45Al-5Nb-0.2B-0.2C Materials Science and Engineering: A 510-11 368-372 (2009) abstract
Y. Chen, T. Hammerschmidt, D. G. Pettifor, et al. Influence of vibrational entropy on structural stability of Nb-Si and Mo-Si systems at elevated temperatures Acta Materialia 57 2657-2664 (2009) abstract
G. J. Schmitz, U. Prahl, Toward a virtual platform for materials processing JOM - Journal of the Minerals, Metals and Materials Society 61 19-23 (2009) abstract
V. Uthaisangsuk, U. Prahl, W. Bleck, Characterisation of formability behaviour of multiphase steels by micromechanical modelling International Journal of Fracture 157 55-69 (2009) abstract
V. Uthaisangsuk, U. Prahl, W. Bleck, Stretch-flangeability characterisation of multiphase steel using a microstructure based failure modelling Computational Materials Science 45 617-623 (2009) abstract
F. Körmann, A. Dick, T. Hickel, et al. Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations Physical Review B 79 184406-184411 (2009) abstract
M. Apel, S. Benke, I. Steinbach, Virtual dilatometer curves and effective Young’s modulus of a 3D multiphase structure calculated by the phase-field method Computational Materials Science 45 589-592 (2009) abstract
T. Krüger, F. Varnik, D. Raabe, Shear stress in lattice Boltzmann simulations Physical Review E 79 046704, 1-14 (2009) abstract
H. Zheng, J. Pfetzing-Micklich, J. Frenzel, et al. Nanoindentation of Ti50Ni48Fe2 and Ti50Ni40Cu10 shape memory alloys International Journal of Materials Research 100 594-602 (2009) abstract
J. Imlau, W. Bleck, S. Zaefferer, Comparison of damage development depending on the local microstructure in low alloyed Al-TRIP-Steels, IF steel and a DP steel International Journal of Materials Research 100 584-593 (2009) abstract
B. Grabowski, L. Ismer, T. Hickel, et al. Ab initio up to the melting point: anharmonicity and vacancies in aluminium Physical Review B 79 134106, 1-16 (2009) abstract
A. Böhner, R. Janisch, A. Hartmaier, Ab initio investigation of diamond coatings on steel Scripta Materialia 60 504-507 (2009) abstract
C. Colinet, J. C. Tedenac, S. G. Fries, Structural stability of intermetallic phases in the Sn Ti system Calphad - Experimental and Computational investigation of intermetallic systems: A Special Issue Dedicated to Prof. Riccardo Ferro 33 250-259 (2009) abstract
R. Garg, V. Haxha, M. A. Migliorato, et al. Strain dependence of piezoelectric coefficients for pseudomorphically grown semiconductors Microelectronics Journal 40 601-603 (2009) abstract
S. S. Khan, N. Hort, J. Eiken, et al. Numerical determination of heat distribution and castability simulations of as cast Mg-Al alloys Advanced Engineering Materials 11 162-168 (2009) abstract
M. Apel, B. Böttger, J. Rudnizki, et al. Grain growth simulations including particle pinning using the multiphase-field concept ISIJ International 49 1024-1029 (2009) abstract
E. Torres, A. T. Blumenau, P. U. Biedermann, Mechanism for phase transitions and vacancy island formation in alkylthiol/Au(111)self-assembled monolayers based on adatom and vacancy-induced reconstructions Physical Review B 79 075440, 1-6 (2009) abstract
D. Gosslar, R. Günther, C. Hartig, et al. Grain refinement of γ-TiAl alloys by inoculation Material Research Society Symposium Proceedings 1128 1128-U03-02 (2009) abstract
V. Uthaisangsuk, U. Prahl, W. Bleck, Microstructure based failure analysis of multiphase steels using damage mechanics modeling TMS 2009, 138th Annual Meeting & Exhibition, Supplemental Proceedings, Materials Characterization, Computation and Modeling 2 335-343 (2009) abstract
J. von Appen, W. Bleck, S. Brühl, et al. SFB 761 - Stahl ab initio: Quantenmechanisch geführtes Design neuer Eisenbasiswerkstoffe Jahresmagazin Ingenieurwissenschaften 132-134 (2009) abstract
M. A. Uijttewaal, T. Hickel, J. Neugebauer, et al. Understanding the phase transitions of the Ni2MnGa magnetic shape memory system from first principles Physical Review Letters 102 035702, 1-4 (2009) abstract
W. Bleck, Quantum mechanics guided design of new Fe based materials Proceedings of the Workshop on High Mn Steels, Pohang 1 1-39 (2009) abstract
T. Hickel, A. Dick, B. Grabowski, et al. Steel design from fully parameter-free ab initio computer simulations Steel Research International 80 4-8 (2009) abstract
M. Fischer, F. Gerdemann, W. Bleck, Object based quantitative analysis of complex multiphase microstructures in steel EPD Congress 2009, TMS 2009, San Francisco (CA) 101-109 (2009) abstract
C. Kords, Leistungssteigerung beim trochoiden Fräsen durch Optimierung der mikroskopischen und makroskopischen Eingriffsbedingungen Master Thesis RWTH Aachen abstract
S.P. Brookes, H.J. Kühn, B. Skotzki, et al. Multi-axial thermo-mechanical fatigue of a near-gamma TiAl-alloy Advanced Materials Research 59 283-287 (2009) abstract
M. Urban, C. Keul, W. Bleck, et al. High-strength ductile bainitic steel for high-stressed forged structural parts Proceedings of the 5th JSTP International Seminar on Precision Forging, Kyoto 163-166 (2009) abstract
W. A. Counts, M. Friák, D. Raabe, et al. Using ab initio calculations in designing bcc Mg–Li alloys for ultra-lightweight applications Acta Materialia 57 69-76 (2009) abstract
W. Bleck, High-strength steels for car bodies Proceedings of the 2009 International Symposium on Automobile Steel, Dalian, China. 27-32 (2009) abstract
J. Rudnizki, B. Zeislmair, U. Prahl, et al. Gefügesimulation beim Hochtemperatur-Einsatzhärten HTM - Journal of Heat Treatment and Materials 64 176-185 (2009) abstract
T. Hammerschmidt, R. Drautz, Bond-order potentials for bridging the electronic to atomistic modelling hierarchies Multiscale Simulation Methods in Molecular Science JOHN VON NEUMANN INSTITUTE FOR COMPUTING, JüLICH 229-246 (2009) abstract
J. Pfetzing-Micklich, M. F.-X. Wagner, J. Frenzel, et al. Thermomechanical constraints on pseudoelasticity during nanoindentation of binary and ternary NiTi(Fe) alloys TMS 639-644 (2009) abstract
B. Eidel, A. Stukowski, A variational formulation of the quasicontinuum method based on energy sampling in clusters Journal of the Mechanics and Physics of Solids 57 87-108 (2009) abstract
W. Bleck, K. Imlau, K. Phiu-On, Gefüge und mechanische Eigenschaften von kalt umformbaren Stählen mit TWIP/TRIP-Effekt 9. Tagung Gefüge und Bruch, Leoben 125-138 (2009) abstract
X. Guo, W. Bleck, J. Post, et al. Delayed cracking in meta-stable austenitic stainless steels and its prediction by FEM simulation Stainless Steel World Conference & Exhibition, Maastricht (2009) abstract
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