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Modeling and Simulation
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2019/23, H. Zhou, C. Huang, X. Sha, L. Xiao, X. Ma, H. W. Höppel, M. Göken, X. Wu, K. Ameyama, X. Han, Y. Zhu, In-situ observation of dislocation dynamics near heterostructured interfaces. In: Materials Research Letters 7 (2019), 376-382, 2019, http://dx.doi.org/10.1080/21663831.2019.1616330
2019/10, A. Vaid, J. Guenole, A. Prakash, S. Korte-Kerzel, E. Bitzek, Atomistic simulations of basal dislocations in Mg interacting with Mg17Al12 precipitates. In: Materialia 7 (2019), 100355, 2019, http://dx.doi.org/10.1016/j.mtla.2019.100355
2018/31, J.J. Möller, E. Bitzek, Atomic-scale modeling of elementary processes during the fatigue of metallic materials: from crack initiation to crack-microstructure interactions. In: in: Fatigue of Materials at Very High Numbers of Loading Cycles - Experimental Techniques, Mechanisms, Modeling and Fatigue Life Assessment Ed. HJ Christ, Springer,(2018), 25-48, 2018
2018/29, J.J. Möller, M. Mrovec, I. Bleskov, J. Neugebauer, T. Hammerschmidt, R. Drutz, C. Elsässer, T. Hickel, E. Bizek, {110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. In: Physical Review Materials 2, 093606 (2018), 2018, http://dx.doi.org/10.1103/PhysRevMaterials.2.093606
2018/23, J.J.Möller, E.Bitzek, R. Janisch, H. ul Hassan, A. Hartmaier, Fracture ab initio: A force-based scaling law for atomistically informed continuum models. In: Journal of Materials Research 33 (2018), 3750-3761, 2018, http://dx.doi.org/10.1557/jmr.2018.384
2018/22, F. Houllé, F. Walsh, A. Prakash, E. Bitzek, Atomistic Simulations of Compression Tests on y-Precipitate Containing Ni3Al Nanocubes.. In: Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science 49 (9) (2018), 4158-4166, 2018, http://dx.doi.org/10.1007/s11661-018-4706-0
2018/13, F. Kümmel, B. Diepold, K.F. Sauer, C. Schunk, A. Prakash, H.W. Höppel, M. Göken, High Lightweight Potential of Ultrafine-Grained Aluminum/Steel Laminated Metal Composites Produced by Accumulative Roll Bonding. In: Advanced Engineering Materials, 2018, http://dx.doi.org/10.1002/adem.201800286
2017/5, J. Guénolé, A. Prakash, E. Bitzek, Atomistic simulations of focused ion beam machining of strained silicon. In: Applied Surface Science 416 (2017), 86-95, 2017, http://dx.doi.org/10.1016/j.apsusc.2017.04.027
2017/2, A. Prakash, E. Bitzek, Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on y/y? Microstructures. In: Materials 10(1) (2017), 88, 2017, http://dx.doi.org/10.3390/ma10010088
2017/17, P.N. Baranova and E. Bitzek, Influence of Atomic-scale Heterogeneties on Fracture Behavior of B2 NiAl. In: 14th International Conference on Fracture (ICF 14), 2017
2017/16, E. Bitzek, P. Baranova and J.J. Möller, 3D Aspects of Fracture and Effects due to Crack Front Curvature. In: 14th International Conference on Fracture (ICF 14), 2017
2017/15, M. Mousavi, J. Guénolé, P. Baranova, E. Bitzek, A. M. Korsunsky, Atomistic Simulation of Cracks versus Generalized Continua. In: 14th International Conference on Fracture (ICF 14), 2017
2017/14, A.Prakash, D. Weygand, E. Bitzek, Influence of grain boundary structure and topology on the plastic deformation of nanocrystalline aluminum as studied by atomistic simulations. In: International Journal of Plasticity 97 (2017), 107-125, 2017, http://dx.doi.org/10.1016/j.ijplas.2017.05.011
2016/8, Johannes J.Möller, ErikBitzek, BDA: A novel method for identifying defects in body-centered cubic crystals. In: MethodsX 3(2016)279–288, 2016, http://dx.doi.org/10.1016/j.mex.2016.03.013
2016/7, A. Prakash, M.Hummel, S.Schmauder, E.Bitzek, NanoSCULPT: A methodology for generating complex realistic configurations for atomistic simulations. In: MethodsX 3 (2016) 219–230, 2016, http://dx.doi.org/10.1016/j.mex.2016.03.002
2016/4, S. Neumeier, H.U. Rehman, J. Neuner, C.H. Zenk, S. Michel, S. Schuwalow, J. Rogal, R. Drautz, M. Göken, Diffusion of solutes in fcc Cobalt investigated by diffusion couples and first principles kinetic Monte Carlo. In: Acta Mater. 106, (2016), 304 - 312, 2016, http://dx.doi.org/10.1016/j.actamat.2016.01.028
2016/41, A.M. Korsunsky, J. Guénolé, E. Salvati, T. Sui, M. Mousavi, A. Prakash, E. Bitzek, Quantifying eigenstrain distributions induced by focused ion beam damage in silicon. In: Materials Letters 185, (2016), 47-49, 2016, http://dx.doi.org/10.1016/j.matlet.2016.08.111
2016/40, J. Guénolé, A. Prakash, E. Bitzek, Influence of intrinsic strain on irradiation induced damage: the role of threshold displacement and surface binding energies. In: Materials and Design 111, (2016), 405-413, 2016, http://dx.doi.org/10.1016/j.matdes.2016.08.077
2016/3, J. Luo, J. Wang, E. Bitzek, J. Y. Huang, H. Zheng, L. Tong, Q. Yang, J. Li, S. X. Mao, Size-Dependent Brittle-to-Ductile Transition in Silica Glass Nanofibers. In: Nano Lett. 16, (2016), 105 - 113, 2016, http://dx.doi.org/10.1021/acs.nanolett.5b03070
2016/32, J.J. Möller, A. Prakash, E. Bitzek , In Multiscale Materials Modeling: Approaches to Full Multiscaling. In: De Gruyter, Berlin, 2016
2016/25, W.G.Nöhring, J.Möller, Z.Xie, E.Bitzek, Wedge-shaped twins and pseudoelasticity in fcc metallic nanowires under bending. In: Extreme Mechanics Letters 8 (2016) 140–150, 2016, http://dx.doi.org/10.1016/j.eml.2016.03.001
2016/24, J. Bach, J.J. Möller, M. Göken, E. Bitzek, H.W. Höppel, On the transition from plastic deformation to crack initiation in the high- and very high-cycle fatigue regimes in plain carbon steels. In: International Journal of Fatigue 93 (2016), 281-291, 2016, http://dx.doi.org/10.1016/j.ijfatigue.2016.04.003
2016/15, M. Mackovi, F. Niekiel, L.Wondraczek, E. Bitzek, E. Spiecker, In situ mechanical quenching of nanoscale silica spheres in the transmission electron microscope. In: Scripta Materialia 121 (2016) 70–74, 2016, http://dx.doi.org/10.1016/j.scriptamat.2016.04.019
2015/8, A. Prakash, W.G. Nöhring, R.A. Lebensohn, H.W. Höppel, E. Bitzek, A multiscale simulation framework of the accumulative roll bonding process accounting for texture evolution. In: Mater. Sci. Eng. A 632, (2015), 104-119, 2015, http://dx.doi.org/10.1016/j.msea.2015.02.005
2015/7, R. Rettig, N. Ritter, H.E. Helmer, S. Neumeier, R.F. Singer, Single-crystal nickel-based superalloys developed by numerical multi-criteria optimization techniques: design based on thermodynamic calculations and experimental validation. In: Modelling Simul. Mater. Sci. Eng. 23, (2015),24, 2015, http://dx.doi.org/10.1088/0965-0393/23/3/035004
2015/31, J.J. Möller, E. Bitzek, On the influence of crack front curvature on the fracture behavior of nanoscale cracks. In: Eng. Frac. Mech. 150, (2015), 197-208, 2015, http://dx.doi.org/10.1016/j.engfracmech.2015.03.028
2015/30, M. Schweiger, M. Schaudig, F. Gannott, M. S. Killian, E. Bitzek, P. Schmuki, J. Zaumseil, Controlling the diameter of aligned single-walled carbon nanotubes on quartz via catalyst reduction time. In: Carbon 95, (2015), 452-459, 2015, http://dx.doi.org/10.1016/j.carbon.2015.08.058
2015/2, E. Bitzek, J.R. Kermode, P. Gumbsch, Atomistic aspects of fracture. In: Int. J. Fract. 191, (2015), 13-30, 2015, http://dx.doi.org/10.1007/s10704-015-9988-2
2015/27, F. Niekel, E. Spieker, E. Bitzek, Influence of anisotropic elasticity on the mechanical properties of fivefold twinned nanowires. In: J. Mech. Phys. Solids 84, (2015), 358-379, 2015, http://dx.doi.org/10.1016/j.jmps.2015.08.004
2015/19, A. Kobler, T. Beuth, T. Klöffel, R. Prang, M. Moosmann, T. Scherer, S. Walheim, H. Hahn, C. Kübel, B. Meyer, T. Schimmel, E. Bitzek, Nanotwinned silver nanowires: Structure and mechanical properties. In: Acta Mater. 92, (2015), 299-308, 2015, http://dx.doi.org/10.1016/j.actamat.2015.02.041
2015/18, A. Prakash, J. Guénolé, J. Wang, J. Müller, E. Spiecker, M.J. Mills, I. Povstugar, P. Choi, D. Raabe, E. Bitzek, Atom probe informed simulations of dislocation-precipitate interactions reveal the importance of local interface curvature. In: Acta Mater. 92, (2015), 33-45, 2015, http://dx.doi.org/10.1016/j.actamat.2015.03.050
2015/17, T. Klöffel, E. Bitzek, B. Meyer, Impact of twin boundaries on bulk elastic constants: Density-functional theory data for Young's modulus of Ag. In: Data in Brief 3, (2015), 209-215, 2015, http://dx.doi.org/10.1016/j.dib.2015.03.005
2014/8, J. Möller, E. Bitzek, Comparative study of embedded atom potentials for atomistic simulations of fracture in ?-iron. In: Modelling Simul. Mater. Sci. Eng. 22, (2014),29, 2014, http://dx.doi.org/10.1088/0965-0393/22/4/045002
2014/7, J. Möller, E. Bitzek, Fracture toughness and bond trapping of grain boundary cracks. In: Acta Mater. 73, (2014), 1-11, 2014, http://dx.doi.org/10.1016/j.actamat.2014.03.035
2014/6, D. Zahn, E. Bitzek, Shearing in a biomimetic apatite-protein composite. In: PLoS ONE 9, (2014), e93309, 2014, http://dx.doi.org/10.1371/journal.pone.0093309
2014/5, F. Niekiel, E. Bitzek, E. Spiecker, Combining atomistic simulation and x-ray diffraction for the characterization of nanostructures. In: ACS Nano 8, (2014), 1629-1638, 2014, http://dx.doi.org/10.1021/nn405941m
2014/21, W.J. He, S.H. Zhang, A. Prakash, D. Helm, A hierarchical multi-scale model for hexagonal materials taking into account texture evolution during forming simulation. In: Comput. Mater. Sci. 82, (2014), 464-475, 2014, http://dx.doi.org/10.1016/j.commatsci.2013.10.023
2014/19, J. Amodeo, C. Begau, E. Bitzek, Atomistic simulations of compression tests on Ni3Al nanocubes. In: Mater. Res. Lett. 2, (2014), 140-145, 2014, http://dx.doi.org/10.1080/21663831.2013.878884
2014/18, S. Lee, J. Im, Y. Yoo, E. Bitzek, D. Kiener, G. Richter, B. Kim, S.H. Oh, Reversible cyclic deformation mechanism of gold nanowires by twinning-detwinning transition evidenced from in situ TEM. In: Nat. Commun. 5, (2014), 3033, 2014, http://dx.doi.org/10.1038/ncomms4033
2014/11, M. Fried, C. Krechel, E.E. Affeldt, B. Eckert, S. Kimming, U. Retze, H.W. Höppel, M. Göken, Fatigue crack initiation in nickel-based superalloys studied by microstructure-based FE modeling and scanning electron microscopy. In: MATEC Web of Conferences 14, (2014), 16001, 2014, http://dx.doi.org/10.1051/matecconf/20141416001
2014/10, Y. Umeno, W. Nöhring, A. Iskandarov, E. Bitzek, Atomistic model analysis of local and global instabilities in crystals at finite temperature. In: Eng. Mater. Vols. 592-593, (2014), 39-42, 2014, http://dx.doi.org/10.4028/www.scientific.net/KEM.592-593.39
2013/7, E. Bitzek, P. Gumbsch, Mechanism of dislocation multiplication at crack tips. In: Acta Mater. 61 (2013) 1394-1403., 2013
2013/24, Y. Umeno, W. Nöhring, A. Iskandarov, E. Bitzek, Atomistic Model Analysis of Local and Global Instabilities in Crystals at Finite Temperature. In: Key Engineering Materials 592-593, (2013), 39-42, 2013
2013/18, J.J. Möller, A. Prakash, E. Bitzek, FE2AT - finite element informed atomistic simulations. In: Modelling and Simulation in Materials Science and Engineering 21 055011, (2013), 1-20., 2013
2012/26, S. Sakar, J. Li, W.T. Cox, E. Bitzek, T.J. Lenosky, Y. Wang, Finding activation pathway of coupled displacive-diffusional defect processes in atomistics: Dislocation climb in fcc copper. In: Phys. Rev. B 86 (2012), 014115, 2012
2012/18, A. Sedlmayr, E. Bitzek, D.S. Gianola, G. Richter, R. Mönig, O. Kraft, Existence of two twinning-mediated plastic deformation modes in Au nanowhiskers. In: Acta Mater. 60 (2012), 3985-3993, 2012
2012/16, E. Bitzek, Atomistic Study of Twinning in Gold Nanowhiskers. In: J. Solid Mech. Mater. Eng. 6 (2012), 99-105, 2012
2011/37, J. Li, S. Sarkar, W.T. Cox, T.J. Lenosky, E. Bitzek, Y.Z. Wang, Diffusive molecular dynamics and its application to nanoindentation and sintering. In: Phys. Rev. B 84 (2011), 054103, 2011, http://dx.doi.org/10.1103/PhysRevB.84.054103
2011/33, W. Blum, X.H. Zeng, Corrigendum to “A simple dislocation model of deformation resistance of ultrafine-grained materials explaining Hall-Petch strengthening and enhanced strain rate sensitivity” (Acta Materialia (2009) 57 (1966-1974)). In: Acta Mater. 59 (2011), 6205, 2011, http://dx.doi.org/10.1016/j.actamat.2011.05.032
2011/24, M. Lodes, A. Hartmaier, M. Göken, K. Durst, Influence of dislocation density on the pop-in behavior and indentation size effect in CaF2 single crystals: Experiments and molecular dynamics simulations. In: Acta Mater. 59 (2011), 4264, 2011, http://dx.doi.org/10.1016/j.actamat.2011.03.050
2011/19, M. Prechtel, P. Leiva-Ronda, R. Janisch, A. Hartmaier, G. Leugering, P. Steinmann, M. Stingel, Simulation of fracture in heterogeneous elastic materials with cohesive zone models. In: Int. J. Fract. 168 (2011), 15, 2011, http://dx.doi.org/10.1007/s10704-010-9552-z
2011/18, O. Franke, M. Göken, M. Meyers, K. Durst, A. Hodge, Dynamic nanoindentation of articular porcine cartilage. In: "Mater. Sci. Eng. C, 2011, http://dx.doi.org/ 31 (2011), 789"
2010/16, W. Blum, P. Eisenlohr, A simple dislocation model of the influence of high angle grain boundaries on the deformation behavior of ultrafine grained materials. In: J. Phys.: Conference Series 240 (2010), 012136, 2010, http://dx.doi.org/10.1016/j.actamat.2008.12.041
2009/7, A. Böhner, R. Janisch, A. Hartmaier, Ab initio investigation of diamond coatings on steel. In: Scripta Mater. 60 (2009), 504-507, 2009, http://dx.doi.org/10.1016/j.scriptamat.2008.11.042
2009/31, P. Armstrong, C. Knieke, M. Mackovic, G. Frank, A. Hartmaier, M. Göken, W. Peukert, Microstructural evolution during deformation of tin dioxide nanoparticles in a comminution process. In: Acta Mater. 57 (2009), 3060-3071, 2009, http://dx.doi.org/10.1016/j.actamat.2009.02.049
2009/18, W. Blum, P. Eisenlohr, Dislocation mechanics of creep. In: Mater. Sci. Eng. A 510-511 (2009), 7-13, 2009, http://dx.doi.org/10.1016/j.msea.2008.04.110
2009/15, W. Blum, X. H. Zeng, A simple dislocation model of deformation resistance of ultrafine-grained materials explaining Hall-Petch strengthhening and enhanced strain rate sensitivity. In: Acta Mater. 57 (2009), 1966-1974, 2009, http://dx.doi.org/10.1016/j.actamat.2008.12.041
2009/12, B. Backes, Y.Y. Huang, M. Göken, K. Durst, The correlation between the internal material length scale and the microstructure in nanoindentation experiments and simulations using the conventional mechanism-based strain gradient plasticity theory. In: J Mater. Res. 24 (2009), 1197-1207, 2009, http://dx.doi.org/10.1557/JMR.2009.0123
2008/6, R. Janisch, C. Elsässer, Growth and mechanical properties of a MoC precipitate at a Mo grain boundary23.10.2012: An ab initio density functional study. In: Phys. Rev. B 77 (2008), 094118, 2008, http://dx.doi.org/10.1103/PhysRevB.77.094118
2008/4, N.C. Brödling, A. Hartmaier, M.J. Buehler, and H. Gao, The Strength Limit in a Bio-inspired Metallic Nanocomposite. In: Journal of the Mechanics and Physics of Solids 53 (2008), 1086-1104, 2008, http://dx.doi.org/10.1016/j.jmps.2007.06.006
2008/34, S. Ndlovou, K. Durst, H.W. Höppel, M. Göken, Study on the local damage mechanisms in WC-Co hard metals during scratch testing. In: Materials Research Society Symposium Proceedings 1049, (2008), 75-81, 2008
2008/11, H. Mughrabi, F. Pschenitzka, Stresses to bow edge dislocation segments out of di-multipolar edge dislocation bundles. In: Proceedings of 14th International Conference on the Strength of Materials (ICSMA 14), Mater. Sci. Eng. A, 483-484 (2008), 469 – 473, 2008, http://dx.doi.org/10.1016/j.msea.2006.09.185
2008/10, X.H. Zeng, P. Eisenlohr, W. Blum, Modelling the transition from strengthening to softening due to grain boundaries. In: Mater. Sci. Eng. A 483-484, (2008) 95 – 98, 2008, http://dx.doi.org/10.1016/j.msea.2006.09.130
2007/7, K. Durst, B. Backes, M. Göken, Strain gradient plasticity modeling of size effects in plasticity, in Nonlocal Modeling of Materials Failure. In: NMMF 2007, Ed.: H. Yuan, F.H. Wittmann, ISBN 978-3-931681-87-6, Aedificatio publishers, Freiburg, Proceedings of an international workshop, (2007) 83-90, 2007
2007/22, J. A. El-Awady, N. M. Ghoniem, and H. Mughrabi, Dislocation modeling of localized plasticity in persistent slip bands. In: Proc. of the 136th TMS Annual Meeting and Exhibition, Materials Processing and Manufacturing Division, Orlando, Florida, Symposium: Mechanics and Materials Modeling and Materials Design Methodologies, in the Honor of Dr. Craig Hartley's 40 years of Contributions to the Field of Mechanics and Materials Science, edited by B. L. Adams and A. Garmestani, 2007, pp. 23-35, 2007
2007/16, M. Tanaka, Y. Hoshino, A. Hartmaier, K. Higashida, Crack tip dislocations and its shielding effect. In: Materials Science Forum Vols. 561-565 (2007) 1833-1836, 2007, http://dx.doi.org/10.4028/www.scientific.net/MSF.561-565.1833
2006/4, H. Mughrabi, Implications of linear relationships between local and macroscopic flow stresses in the composite model. In: Int. J. Mat. Res. (formerly Z. Metallkd.) 97 (2006), 594-596, 2006
2006/2, K. Durst, B. Backes, O. Franke, M. Göken, Indentation size effect in metallic materials: Modelling strength from pop-in to macroscopic hardness using geometrically necessary dislocations. In: Acta mater. 54 (2006), 2547-2555, 2006, http://dx.doi.org/10.1016/j.actamat.2006.01.036
2006/26, N.C. Brödling, A. Hartmaier, and H. Gao, A combined dislocation-cohesive zone model for fracture in a confined ductile layer. In: International Journal of Fracture 140 (2006), 169-181, 2006, http://dx.doi.org/10.1007/s10704-005-6025-x
2006/25, C.-S. Han, A. Hartmaier, H. Gao, Y. Huang, Discrete dislocation dynamics simulation of surface induced size effects in plasticity. In: Materials Science and Engineering A 415 (2006), 225-233, 2006, http://dx.doi.org/10.1016/j.msea.2005.09.075
2006/17, H. Mughrabi, Dual role of deformation-induced geometrically necessary dislocations with respect to lattice plane misorientations and/or long-range internal stresses. In: Acta mater. 54 (2006), 3417-3427, 2006, http://dx.doi.org/10.1016/j.actamat.2006.03.047
2006/16, B. Backes, K. Durst, M. Göken, Determination of plastic properties of polycrystalline metallic materials by nanoindentation: experiments and finite element simulations. In: Phil. Mag. A 86 (2006), 5541-5551, 2006, http://dx.doi.org/10.1080/14786430600735468
2006/15, K.W. Schwarz, H. Mughrabi , Interactions and passing stress of two threading dislocations of opposite sign in a confined channel. In: Phil. Mag. Letters 86 (2006), 773-785, 2006, http://dx.doi.org/10.1080/09500830601026467
2006/13, H. Mughrabi, Deformation-induced long-range internal stresses and lattice plane misorientations and the role of geometrically necessary dislocations. In: Phil. Mag. A 86 (2006), 4037-4054, 2006, http://dx.doi.org/10.1080/14786430500509054
2005/3, K. Durst, B. Backes, M. Göken, Determination of plastic properties of polycrystalline metallic materials by nanoindentation – Experiments and finite element simulation. In: Mater. Res. Soc. Symp. Proc. Vol. 841, 2005, R11.4.1-R11.4.6, 2005
2005/12, H. Mughrabi, F. Pschenitzka, Constrained glide and interaction of bowed-out screw dislocations in confined channels. In: Phil. Mag. 85 (2005) 3029-3045, 2005, http://dx.doi.org/10.1080/14786430500079975
2004/1, K. Durst, M. Göken, H. Vehoff, Finite element study for nanoindentation measurements on two-phase materials. In: J. Mater, Res. 19 (2004) 85-93, 2004
2004/15, H. Mughrabi, On the current understanding of strain gradient plasticity. In: Mat. Sci. Eng. A 387-389 (2004), 209-213, 2004, http://dx.doi.org/10.1016/j.msea.2004.01.086
2002/3, M. Kautz, H.W. Höppel, Z.M. Zhou, H. Mughrabi, "Fatigue lives and cyclic deformation behaviour of ultrafine grained materials. In: in: Mechanismenorientierte Lebensdauervorhersage für zyklisch beanspruchte metallische Werkstoffe", 2002, http://dx.doi.org/2. DVM/DFG-Kolloquium Lebensdauervorhersage, Berlin, 2002, pp. 179-188