@article{e.borukhovich20151,
author = {E. Borukhovich and P. S. Engels and J. Mosler and O. Shchyglo and I. Steinbach},
title = {Large deformation framework for phasefield simulations at the mesoscale},
journal = {Computational Materials Science},
volume = {108},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {367373},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.commatsci.2015.06.021}
}
@article{g.reglitz20151,
author = {G. Reglitz and B. Oberdorfer and N. Fleischmann and J. A. Kotzurek and S. V. Divinski and W. Sprengel and G. Wilde and R. Würschum},
title = {Combined volumetric, energetic and microstructural defect analysis of ECAPprocessed nickel},
journal = {Acta Materialia},
volume = {103},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {396406},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2015.10.004}
}
@MasterThesis{c.park20151,
author = {C. Park},
title = {DFTU calulations of delithiation at \Sum2 tilt grain boundary in Li[Co$_1/3$Ni$_1/3$Mn$_1/3$]O$_2$ cathode material for Lithiumion battery},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{s.gupta20151,
author = {S. Gupta and A. Ma and A. Hartmaier},
title = {Investigating the influence of crystal orientation on bending size effect of single crystal beams},
journal = {Computational Materials Science},
volume = {101},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {201210},
OPTnote = {},
OPTkey = {single crystal beam;  bending size effect; spring back size effect; orientation dependency; GND isotropic hardening; GND kinematic hardening},
DOI = {10.1016/j.commatsci.2014.12.038}
}
@article{s.gao20151,
author = {S. Gao and M. K. Rajendran and M. Fivel and A. Ma and O. Shchyglo and A. Hartmaier and I. Steinbach},
title = {Primary combination of phasefield and discrete dislocation dynamics methods for investigating athermal plastic deformation in various realistic Nibase single crystal superalloy microstructures},
journal = {Modelling and Simulation in Materials Science and Engineering},
volume = {23},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {075003},
OPTnote = {},
OPTkey = {},
DOI = {10.1088/09650393/23/7/075003}
}
@article{b.grabowski20151,
author = {B. Grabowski and A. Glensk and T. Hickel and J. Neugebauer},
title = {Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal manybody effects on the thermodynamics of Au},
journal = {Physical Review B},
volume = {91},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {201103},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevB.91.201103}
}
@article{t.chakraborty20151,
author = {T. Chakraborty and A. Hens and S. Kulashrestha and N. C. Murmu and P. Banerjee},
title = {Calculation of diffusion coefficient of long chain molecules using molecular dynamics},
journal = {Physica E},
volume = {69},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {371377},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.physe.2015.01.008}
}
@article{y.p.mitrofanov20151,
author = {Y.P. Mitrofanov and M. Peterlechner and I. Binkowski and M. Y. Zadorozhnyy and I. S. Golovin and S. V. Divinski and G. Wilde},
title = {The impact of elastic and plastic strain on relaxation and crystallization of Pd–Ni–Pbased bulk metallic glasses},
journal = {Acta Materialia},
volume = {90},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {318329},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2015.03.001}
}
@MasterThesis{s.rameshbabu20151,
author = {S. Ramesh Babu},
title = {Additive manufacturing of nickelbase superalloys: A phasefield study},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{i.steinbach20151,
author = {I. Steinbach and F. Varnik},
title = {Modeling the flow in diffuse interface methods of solidification},
journal = {Physical Review E},
volume = {92},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {023303},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevE.92.023303}
}
@article{d.novokshanov20151,
author = {D. Novokshanov and B. Döbereiner and M. Sharaf and S. Münstermann and J. Lian},
title = {A new model for upper shelf impact toughness assessment with a computationally efficient parameter identification algorithm},
journal = {Engineering Fracture Mechanics},
volume = {148},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {281303},
OPTnote = {},
OPTkey = {MBW model; Strain rate and temperature dependent VUMAT; Application to Battelle drop weight tear test; UMAT for material parameter calibration},
DOI = {10.1016/j.engfracmech.2015.07.069}
}
@PhDThesis{s.gupta20151,
OPTauthor = {S. Gupta},
title = {Micromechanical modeling of martensitic phase transformation in steels based on nonlocal crystal plasticity},
OPTmonth = {01},
year = {2015},
school = {RuhrUnverstit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{j.gehrmann20151,
author = {J. Gehrmann and D. G. Pettifor and A. Kolmogorov and M. Reese and M. Mrovec and C. Elsässer and R. Drautz},
title = {Reduced tightbinding models for elemental Si and N, and ordered binary SiN systems},
journal = {Physical Review B},
volume = {91},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {054109},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevB.91.054109}
}
@article{r.drautz20151,
author = {R. Drautz and T. Hammerschmidt and M. Čák and D. G. Pettifor},
title = {Bondorder potentials: Derivation and parameterization for refractory elements},
journal = {Modelling and Simulation in Materials Science and Engineering},
volume = {23},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {074004},
OPTnote = {},
OPTkey = {bond order potentials; refractory materials},
DOI = {10.1088/09650393/23/7/074004}
}
@article{j.v.g\"orler20151,
author = {J. V. Görler and S. Brinckmann and O. Shchyglo and I. Steinbach},
title = {Gammachannel stabilization mechanism in Nibase superalloys},
journal = {Philosophical Magazine Letters},
volume = {95},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {519525},
OPTnote = {},
OPTkey = {},
DOI = {10.1080/09500839.2015.1109716}
}
@article{w.kochański20151,
author = {W. Kochański and M. Boeff and Z. Hashemiyan and W. J. Staszewski and P. K. Verma},
title = {Modelling and numerical simulations of inair reverberation images for fault detection in medical ultrasonic transducers: A feasibility study},
journal = {Journal of Sensors},
volume = {2015},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {796439},
OPTnote = {},
OPTkey = {},
DOI = {10.1155/2015/796439}
}
@article{d.prokoshkina20151,
author = {D. Prokoshkina and L. Klinger and A. Moros and G. Wilde and E. Rabkin and S. V. Divinski},
title = {Persistence of ultrafast atomic diffusion paths in recrystallizing ultrafine grained Ni},
journal = {Scripta Materialia},
volume = {101},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {9194},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.scriptamat.2015.01.027}
}
@MasterThesis{m.m.golam20151,
author = {M. M. Golam},
title = {Investigation of hydrogen trapping in model alloys with and without internal oxide precipitates},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{p.wollgramm20151,
author = {P. Wollgramm and H. Buck and K. Neuking and A. B. Parsa and S. Schuwalow and J. Rogal and R. Drautz and G. Eggeler},
title = {On the role of Re in the stress and temperature dependence of creep of Nibase single crystal superalloys},
journal = {Materials Science and Engineering A},
volume = {628},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {382395},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.msea.2015.01.010}
}
@article{b.wu20151,
author = {B. Wu and Y. Yan and S. Münstermann},
title = {Modelling of chip breakage in machining process with damage mechanics model},
journal = {Applied Mechanics and Materials},
volume = {784},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {411418},
OPTnote = {},
OPTkey = {Chip Breakage, Damage Mechanics Model; Finite Element Method; State of Stress; Strain Rate Effect; Temperature Effect},
DOI = {10.4028/www.scientific.net/AMM.784.411}
}
@PhDThesis{e.borukhovich20151,
OPTauthor = {E. Borukhovich},
title = {Consistent coupling of geometrically nonlinear finite deformation with alloy chemistry and diffusion within the phasefield framework},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{m.ford20151,
author = {M. Ford and D. G. Pettifor and R. Drautz},
title = {Noncollinear magnetism with analytic bondorder potentials},
journal = {Journal of Physics: Condensed Matter},
volume = {27},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {086002},
OPTnote = {},
OPTkey = {},
DOI = {10.1088/09538984/27/8/086002}
}
@article{m.boeff20151,
author = {M. Boeff and F. Gutknecht and P. S. Engels and A. Ma and A. Hartmaier},
title = {Formulation of nonlocal damage models based on spectral methods for application to complex microstructures},
journal = {Engineering Fracture Mechanics},
volume = {147},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {373387},
OPTnote = {},
OPTkey = {nonlocal damage modelling; plasticity; spectral solver; RVE},
DOI = {10.1016/j.engfracmech.2015.06.030}
}
@MasterThesis{a.hariri20151,
author = {A. Hariri},
title = {Phase transitions in high manganese steels: Simulation and experiment},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{s.bhattacharya20151,
author = {S. Bhattacharya and N. S. H. Gunda and R. Stern and S. Jacobs and R. Chmielowski and G. Dennler and G. Madsen},
title = {Achieving optimum carrier concentrations in pdoped SnS thermoelectrics},
journal = {Physical Chemistry Chemical Physics},
volume = {17},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {91619166},
OPTnote = {},
OPTkey = {},
DOI = {10.1039/c4cp05991c}
}
@article{m.shepelenko20151,
author = {M. Shepelenko and L. Klinger and E. Rabkin and A. Berner and D. Prokoshkina and G. Reglitz and J. Fiebig and G. Wilde and S. V. Divinski},
title = {Recovery, recrystallization and diffusion in coldrolled Ni},
journal = {International Journal of Materials Research},
volume = {106},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {554564},
OPTnote = {},
OPTkey = {},
DOI = {10.3139/146.111217}
}
@MasterThesis{h.shabbir20151,
author = {H. Shabbir},
title = {Multi scale simulations: Interaction between \gamma' precipitate and interfacial dislocation in nickel base superalloys},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{x.zhang20151,
author = {X. Zhang and T. Hickel and J. Rogal and S. Fähler and R. Drautz and J. Neugebauer},
title = {Structural transformations among austenite, ferrite and cementite in FeC alloys: A unified theory based on ab initio simulations},
journal = {Acta Materialia},
volume = {99},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {281289},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2015.07.075}
}
@article{o.g\"uvenc20151,
author = {O. Güvenc and F. Roters and T. Hickel and M. Bambach},
title = {ICME for crashworthiness of TWIP steels: From ab initio to the crash performance},
journal = {JOM},
volume = {67},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {120128},
OPTnote = {},
OPTkey = {},
DOI = {10.1007/s1183701411928}
}
@PhDThesis{d.yan20151,
OPTauthor = {D. Yan},
title = {Micromechanically guided design of graded ultrafinegrained dualphase steel},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{b.sundman20151,
author = {B. Sundman and M. Stratmann and L. Zhang and Y. Du},
title = {Computational thermodynamics and its applications in materials science},
journal = {Materials China},
volume = {34},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {1529},
OPTnote = {},
OPTkey = {},
DOI = {10.7502/j.issn.16743962.2015.01.02}
}
@article{a.katre20151,
author = {A. Katre and A. Togo and I. Tanaka and G. Madsen},
title = {First principles study of thermal conductivity crossover in nanostructured zincchalcogenides},
journal = {Journal of Applied Physics},
volume = {117},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {045102},
OPTnote = {},
OPTkey = {},
DOI = {10.1063/1.4906461}
}
@MasterThesis{u.v.unije20151,
author = {U. V. Unije},
title = {Simulation of transport processes through asymmetric gas separation membrane},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{r.darvishikamachali20151,
author = {R. Darvishi Kamachali and S. J. Kim and I. Steinbach},
title = {Texture evolution in deformed AZ31 magnesium sheets: Experiments and phasefield study},
journal = {Computational Materials Science},
volume = {104},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {193199},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.commatsci.2015.04.006}
}
@article{n.winkler20151,
author = {N. Winkler and M. Peterlechner and G. Wilde},
title = {Controlling crystallization, phase transformation and magnetic properties of amorphous FeNiP by annealing in nanoconfinement},
journal = {Journal of Materials Chemistry C},
volume = {3},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {75437551},
OPTnote = {},
OPTkey = {},
DOI = {10.1039/C5TC01002K}
}
@MasterThesis{b.dongre20151,
author = {B. Dongre},
title = {The effect of a vacancy on the thermal conductivity of StillingerWeber silicon},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@inproceedings{a.monas20151,
author = {A. Monas and O. Shchyglo and D. Höche and M. Tegeler and I. Steinbach},
title = {Dualscale phasefield simulation of MgAl alloy solidification},
OPTbooktitle = {IOP Conference Series: Materials Science and Engineering},
OPTvolume = {84},
OPTnumber = {},
OPTseries = {},
OPTmonth = {01},
OPTyear = {2015},
OPTpages = {012069},
OPTpublisher = {},
OPTnote = {},
OPTkey = {},
DOI = {doi:10.1088/1757899X/84/1/012069}
}
@article{d.c.ma20151,
author = {D. C. Ma and B. Grabowski and F. Körmann and J. Neugebauer and D. Raabe},
title = {Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one},
journal = {Acta Materialia},
volume = {100},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {9097},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2015.08.050}
}
@MasterThesis{a.k.r.kothapalli20151,
author = {A. K. R. Kothapalli},
title = {RVE based characterization and homogenization of elasto plastic properties for woven thermoplastic composite materials},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{p.n\"ortersh\"auser20151,
author = {P. Nörtershäuser and J. Frenzel and A. Ludwig and K. Neuking and G. Eggeler},
title = {The effect of cast microstructure and crystallography on rafting, dislocation plasticity and creep anisotropy of single crystal Nibase superalloys},
journal = {Materials Science and Engineering A},
volume = {626},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {305312},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.msea.2014.12.030}
}
@article{r.chmielowski20151,
author = {R. Chmielowski and D. Pere and C. Bera and I. Opahle and W. Xie and S. Jacob and F. Capet and P. Roussel and A. Weidenkaff and G. Madsen},
title = {Theoretical and experimental investigations of the thermoelectric properties of Bi$_2$S$_3$},
journal = {Journal of Applied Physics},
volume = {117},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {125103},
OPTnote = {},
OPTkey = {},
DOI = {10.1063/1.4916528}
}
@MasterThesis{a.wengert20151,
author = {A. Wengert},
title = {Initial stages of internal oxidation of iron base alloys in the temperature range of 600$^{circ}$C to 850$^{circ}$C},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{j.koßmann20151,
author = {J. Koßmann and T. Hammerschmidt and S. Maisel and S. Müller and R. Drautz},
title = {Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L1$_2$Co$_3$Al},
journal = {Intermetallics},
volume = {64},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {4450},
OPTnote = {},
OPTkey = {superalloys; density functional theory},
DOI = {doi:10.1016/j.intermet.2015.04.009}
}
@article{a.monas20151,
author = {A. Monas and P. Bloembergen and W. Dong and O. Shchyglo and I. Steinbach},
title = {Simulations of the eutectic transformations in the platinum–carbon system},
journal = {International Journal of Thermophysics},
volume = {36},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {33663383},
OPTnote = {},
OPTkey = {},
DOI = {10.1007/s1076501519998}
}
@PhDThesis{m.kanani20151,
OPTauthor = {M. Kanani},
title = {Correlation of deformation mechanisms and atomistic structure of interfaces in lamellar TiAl alloys},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{l.moralesrivas20151,
author = {L. Morales-Rivas and V. Yardley and C. Capdevila and C. Garcia-Mateo and H. Roelofs and F. G. Caballero},
title = {A procedure for indirect and automatic measurement of prior austenite grain size in bainite/martensite microstructures},
journal = {Journal of Materials Science},
volume = {50},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {258267},
OPTnote = {},
OPTkey = {},
DOI = {10.1007/s1085301485846}
}
@article{nimah.siboni20151,
author = {Nima H. Siboni and D. Raabe and F. Varnik},
title = {Aging in amorphous solids: A study of the firstpassage time and persistence time distribution},
journal = {Europhysics Letters},
volume = {111},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {48004},
OPTnote = {},
OPTkey = {},
DOI = {10.1209/02955075/111/48004}
}
@article{c.p.race20151,
author = {C. P. Race and R. Hadian and J. von Pezold and B. Grabowski and J. Neugebauer},
title = {Mechanisms and kinetics of the migration of grain boundaries containing extended defects},
journal = {Physical Review B},
volume = {92},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {174115},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevB.92.174115}
}
@PhDThesis{t.wang20151,
OPTauthor = {T. Wang},
title = {Largescale molecular dynamics simulation of growth, microstructure and properties of thermalsprayed coatings},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{t.chakraborty20151,
author = {T. Chakraborty and J. Rogal and R. Drautz},
title = {Martensitic transformation between competing phases in TiTa alloys: A solidstate nudged elastic band study},
journal = {Journal of Physics: Condensed Matter},
volume = {27},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {115401},
OPTnote = {},
OPTkey = {Ti–Ta alloys, density functional theory, solidstate nudged elastic band, martensitic transformation, phonon calculations, shape memory alloys},
DOI = {doi:10.1088/09538984/27/11/115401}
}
@article{s.bhattacharya20151,
author = {S. Bhattacharya and G. Madsen},
title = {Highthroughput exploration of alloying as design strategy for thermoelectrics},
journal = {Physical Review B},
volume = {92},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {085205},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevB.92.085205}
}
@MasterThesis{a.lange20151,
author = {A. Lange},
title = {TiTa based hightemperature shape memory alloy thin films},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{j.zhang20151,
author = {J. Zhang and C. Begau and L. Geng and A. Hartmaier},
title = {Atomistic investigation of wear mechanisms of a copper bicrystal},
journal = {Wear},
volume = {332333},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {941948},
OPTnote = {},
OPTkey = {copper; grain boundary; wear; molecular dynamics},
DOI = {10.1016/j.wear.2015.02.023}
}
@article{v.schmidt20151,
author = {V. Schmidt and H. Rösner and M. Peterlechner and G. Wilde and P. M. Voyles},
title = {Quantitative measurement of density in a shear band of metallic glass monitored along its propagation direction},
journal = {Physical Review Letters},
volume = {115},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {035501},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevLett.115.035501}
}
@PhDThesis{p.schwittek20151,
OPTauthor = {P. Schwittek},
title = {Micromechanical and continuum modeling of hydrogen assisted steel degradation},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{a.n.c.ladines20151,
author = {A. N. C. Ladines and T. Hammerschmidt and R. Drautz},
title = {Structural stability of Febased topologically closepacked phases},
journal = {Intermetallics},
volume = {59},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {5967},
OPTnote = {},
OPTkey = {TCP phases; density functional theory},
DOI = {10.1016/j.intermet.2014.12.009}
}
@article{s.g.ayodele20151,
author = {S. G. Ayodele and D. Raabe and F. Varnik},
title = {Shearflowcontrolled mode selection in a nonlinear autocatalytic medium},
journal = {Physical Review E},
volume = {91},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {022913},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevE.91.022913}
}
@article{w.s.ko20151,
author = {W. S. Ko and B. Grabowski and J. Neugebauer},
title = {Development and application of a NiTi interatomic potential with high predictive accuracy of the martensitic phase transition},
journal = {Physical Review B},
volume = {92},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {134107},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevB.92.134107}
}
@MasterThesis{u.kaya20151,
author = {U. Kaya},
title = {Development of simulation methods for characterization and modeling of tribological properties of thin metal sheets},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{c.begau20151,
author = {C. Begau and G. Sutmann},
title = {Adaptive dynamic loadbalancing with irregular domain decomposition for particle simulations},
journal = {Computer Physics Communications},
volume = {190},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {5161},
OPTnote = {},
OPTkey = {loadbalance;parallel computing;molecular dynamics},
DOI = {10.1016/j.cpc.2015.01.009}
}
@PhDThesis{a.katre20151,
OPTauthor = {A. Katre},
title = {Modelling thermal transport in nanostructured materials},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@MasterThesis{l.sharma20151,
author = {L. Sharma},
title = {Implementation and comparison of different damage criteria in the framework of crystal plasticity},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@proceedings{c.teijeirobarjas20151,
title = {Parallel bond order potentials for materials science simulations},
OPTbooktitle = {Proceedings of the 4$^th$ International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering},
OPTvolume = {},
OPTnumber = {},
OPTseries = {},
OPTmonth = {01},
year = {2015},
OPTpublisher = {CivilComp Press, Stirlingshire, UK},
OPTnote = {},
OPTkey = {bond order potentials},
DOI = {10.4203/ccp.107.4}
}
@article{m.q.jiang20151,
author = {M. Q. Jiang and G. Wilde and L. H. Dai},
title = {Origin of stress overshoot in amorphous solids},
journal = {Mechanics of Materials},
volume = {81},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {7283},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.mechmat.2014.10.002}
}
@PhDThesis{a.n.c.ladines20151,
OPTauthor = {A. N. C. Ladines},
title = {Influence of light elements on precipitates of complex phases in steel},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{a.ma20151,
author = {A. Ma and A. Hartmaier},
title = {A study of deformation and phase transformation coupling for TRIPassisted steels},
journal = {International Journal of Plasticity},
volume = {64},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {4055},
OPTnote = {},
OPTkey = {phase transformation; martensite nucleation; martensite growth; crystal plasticity; TRIPassisted steel},
DOI = {10.1016/j.ijplas.2014.07.008}
}
@article{d.belardinelli20151,
author = {D. Belardinelli and M. Sbragaglia and L. Biferale and M. Gross and F. Varnik},
title = {Fluctuating multicomponent lattice Boltzmann model},
journal = {Physical Review E},
volume = {91},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {023313},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevE.91.023313}
}
@article{d.ma20151,
author = {D. Ma and M. Friák and J. von Pezold and J. Neugebauer and D. Raabe},
title = {Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stress},
journal = {Acta Materialia},
volume = {98},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {367376},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2015.07.054}
}
@MasterThesis{l.poggenpohl20151,
author = {L. Poggenpohl},
title = {Entwicklung eines mechanischen Ersatzmodells zur Beschreibung gesinterter Keramiken},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{j.frenzel20151,
author = {J. Frenzel and A. Wieczorek and I. Opahle and B. Maaß and R. Drautz and G. Eggeler},
title = {On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Tibased shape memory alloys},
journal = {Acta Materialia},
volume = {90},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {213231},
OPTnote = {},
OPTkey = {NiTi shape memory alloys; latent heats; widths of thermal hysteresis; martensite start temperature; alloy composition},
DOI = {10.1016/j.actamat.2015.02.029}
}
@article{m.q.jiang20151,
author = {M. Q. Jiang and G. Wilde and F. Jiang and L. H. Dai},
title = {Understanding ductiletobrittle transition of metallic glasses from sheartransformationzone dilatation},
journal = {Theoretical and Applied Mechanics Letters},
volume = {5},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {200204},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.taml.2015.09.002}
}
@MasterThesis{n.rivas20151,
author = {N. Rivas},
title = {Sulfidation resistance of NiCr alloys exposed to simulated coal power plant atmospheres},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{j.koßmann20151,
author = {J. Koßmann and C. H. Zenk and I. Lopez-Galilea and S. Neumeier and A. Kostka and S. Huth and W. Theisen and M. Göken and R. Drautz and T. Hammerschmidt},
title = {Microsegregation and precipitates of an ascast Cobased superalloy  microstructural characterization and phase stability modelling},
journal = {Journal of Materials Science},
volume = {50},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {63296338},
OPTnote = {},
OPTkey = {},
DOI = {10.1007/s1085301591778}
}
@article{c.simon20151,
author = {C. Simon and M. Peterlechner and G. Wilde},
title = {Experimental determination of the nucleation rates of undercooled micronsized liquid droplets based on fast chip calorimetry},
journal = {Thermochimica Acta},
volume = {603},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {3945},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.tca.2014.10.027}
}
@PhDThesis{a.a.gießmann20151,
OPTauthor = {A. A. Gießmann},
title = {The influence of stress enhanced diffusion on the growth of pearlite in eutectoid plain carbon steel},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{s.gao20151,
author = {S. Gao and M. Fivel and A. Ma and A. Hartmaier},
title = {Influence of misfit stresses on dislocation glide in single crystal superalloys: A threedimensional discrete dislocation dynamics study},
journal = {Journal of the Mechanics and Physics of Solids},
volume = {76},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {276290},
OPTnote = {},
OPTkey = {superalloys; dislocation dynamics; lattice mismatch; internal stress},
DOI = {10.1016/j.jmps.2014.11.015}
}
@article{m.gross20151,
author = {M. Gross and T. Krüger and F. Varnik},
title = {Fluctuations and diffusion in sheared athermal suspensions of deformable particles},
journal = {Europhysics Letters},
volume = {108},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {68006},
OPTnote = {},
OPTkey = {},
DOI = {10.1209/02955075/108/68006}
}
@article{l.f.huang20151,
author = {L.-F. Huang and B. Grabowski and E. McEniry and D. R. Trinkle and J. Neugebauer},
title = {Importance of coordination number and bond length in titanium revealed by electronic structure investigations},
journal = {Physica Status Solidi B},
volume = {252},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {19071924},
OPTnote = {},
OPTkey = {},
DOI = {10.1002/pssb.201552280}
}
@article{d.weygand20151,
author = {D. Weygand and M. Mrovec and T. Hochrainer and P. Gumbsch},
title = {Multiscale simulation of plasticity in bcc metals},
journal = {Annual Review of Materials Research},
volume = {45},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {369390},
OPTnote = {},
OPTkey = {dislocation; plastic deformation; atomistic modeling; dislocation dynamics; continuum theory; single crystal},
DOI = {10.1146/annurevmatsci070214020852}
}
@article{e.r.pinatel20151,
author = {E. R. Pinatel and M. Palumbo and F. Massimino and P. Rizzi and M. Baricco},
title = {Hydrogen sorption in the LaNi$_5x$Al$_x$H system (0 ≤ x ≤ 1)},
journal = {Intermetallics},
volume = {62},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {716},
OPTnote = {},
OPTkey = {hydrides; hydrogen storage; thermodynamic properties; abinitio calculation},
DOI = {10.1016/j.intermet.2015.03.002}
}
@article{j.buenz20151,
author = {J. Buenz and K. A. Padmanabhan and G. Wilde},
title = {On the applicability of a mesoscopic interface sliding controlled model for understanding superplastic flow in bulk metallic glasses},
journal = {Intermetallics},
volume = {60},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {5057},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.intermet.2015.01.007}
}
@MasterThesis{m.heyn20151,
author = {M. Heyn},
title = {Evolution of the grain boundary microstructure on tempering of a 2.25Cr1Mo steel},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{p.vasconcelos20151,
author = {P. Vasconcelos and A. A. Gießmann and J. Dias-de-Oliveira and A. Andrade-Campos},
title = {Heat treatment analysis of multiphase steels through the use of a coupled phase field and finite element model methodology},
journal = {Computational Materials Science},
volume = {107},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {139150},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.commatsci.2015.05.005}
}
@article{s.v.divinski20151,
author = {S. V. Divinski and G. Reglitz and I. S. Golovin and M. Peterlechner and R. Lapovok and Y. Estrin and G. Wilde},
title = {Effect of heat treatment on diffusion, internal friction, microstructure and mechanical properties of ultrafinegrained nickel severely deformed by equalchannel angular pressing},
journal = {Acta Materialia},
volume = {82},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {1121},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2014.08.064}
}
@PhDThesis{x.zhang20151,
OPTauthor = {X. Zhang},
title = {Structural transformations in FeC alloys: From atomistic simulations to a microscopic understanding},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{b.sundman20151,
author = {B. Sundman and U. R. Kattner and M. Palumbo and S. G. Fries},
title = {OpenCalphad  a free thermodynamic software},
journal = {Integrating Materials and Manufacturing Innovation},
volume = {4},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {1},
OPTnote = {},
OPTkey = {},
DOI = {10.1186/s4019201400291}
}
@article{k.bhogireddy20151,
author = {K. Bhogireddy and C. Hüter and J. Neugebauer and O. Shchyglo and I. Steinbach and R. Spatschek},
title = {From wetting to melting along grain boundaries using phase field and sharp interface methods},
journal = {Computational Materials Science},
volume = {108},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {293300},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.commatsci.2015.02.040}
}
@article{b.dutta20151,
author = {B. Dutta and T. Hickel and J. Neugebauer and C. Behler and S. Fähler and A. Behler and A. Waske and N. Teichert and J. M.  Schmalhorst and A. Hütten},
title = {Interplay of strain and interdiffusion in Heusler alloy bilayers},
journal = {Physica Status Solidi RRL},
volume = {9},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {321325},
OPTnote = {},
OPTkey = {},
DOI = {10.1002/pssr.201510070}
}
@inproceedings{m.tegeler20151,
author = {M. Tegeler and A. Monas and G. Sutmann},
title = {Massively parallel multiphase field simulations},
OPTbooktitle = {Proceedings of the 4$^th$ International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering},
OPTvolume = {},
OPTnumber = {},
OPTseries = {},
OPTmonth = {01},
OPTyear = {2015},
OPTpages = {},
OPTpublisher = {CivilComp Press},
OPTnote = {},
OPTkey = {material science; phasefield; MgAl solidification; parallelization; load balancing},
DOI = {10.4203/ccp.107.5}
}
@article{m.naderi20151,
author = {M. Naderi and M. Peterlechner and E. Schafler and S. V. Divinski and G. Wilde},
title = {Kinetic, volumetric and structural effects induced by liquid Ga penetration into ultrafine grained Al},
journal = {Acta Materialia},
volume = {99},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {196205},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2015.07.061}
}
@MasterThesis{a.kauws20151,
author = {A. Kauws},
title = {Investigation of mechanical properties of martensite packets using inverse analysis},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{a.monas20151,
author = {A. Monas and O. Shchyglo and S. J. Kim and C. Yim and D. Höche and I. Steinbach},
title = {Divorced eutectic solidification of MgAl alloys},
journal = {JOM},
volume = {67},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {18051811},
OPTnote = {},
OPTkey = {},
DOI = {10.1007/s1183701514184}
}
@article{d.liu20151,
author = {D. Liu and M. Peterlechner and J. Fiebig and S. Trubel and M. Wegner and Y. Du and Z. Jin and G. Wilde and S. V. Divinski},
title = {Grain boundary diffusion and precipitates in B2 Ti−50.2 at.\% Ni alloy},
journal = {Intermetallics},
volume = {61},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {3037},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.intermet.2015.02.009}
}
@PhDThesis{s.kenmoe20151,
OPTauthor = {S. Kenmoe},
title = {Ab initio study of the lowindex nonpolar zinc oxide surfaces in contact with water: From single molecules to multilayers},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}
@article{l.zhang20151,
author = {L. Zhang and M. Stratmann and Y. Du and B. Sundman and I. Steinbach},
title = {Incorporating the CALPHAD sublattice approach of ordering into the phasefield model with finite interface dissipation},
journal = {Acta Materialia},
volume = {88},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {156169},
OPTnote = {},
OPTkey = {},
DOI = {10.1016/j.actamat.2014.11.037}
}
@article{t.wang20151,
author = {T. Wang and C. Begau and G. Sutmann and A. Hartmaier},
title = {Large scale molecular dynamics simulation of microstructure formation during thermal spraying of pure copper},
journal = {Surface and Coatings Technology},
volume = {280},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {7280},
OPTnote = {},
OPTkey = {thermal spray; coating; solidification; structural zone; molecular dynamics},
DOI = {10.1016/j.surfcoat.2015.08.034}
}
@article{a.glensk20151,
author = {A. Glensk and B. Grabowski and T. Hickel and J. Neugebauer},
title = {Understanding anharmonicity in the fcc materials: From its origin to ab initio strategies beyond the quasiharmonic approximation},
journal = {Physical Review Letters},
volume = {114},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {195901},
OPTnote = {},
OPTkey = {},
DOI = {10.1103/PhysRevLett.114.195901}
}
@article{r.darvishikamachali20151,
author = {R. Darvishi Kamachali and A. Abbondandolo and K. F. Sieburg and I. Steinbach},
title = {Geometrical grounds of mean field solutions for normal grain growth},
journal = {Acta Materialia},
volume = {90},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {252258},
OPTnote = {},
OPTkey = {grain growth; grain size distribution; selfsimilar regime; mean field theory; phasefield simulation},
DOI = {10.1016/j.actamat.2015.02.025}
}
@article{s.v.divinski20151,
author = {S. V. Divinski},
title = {Grain boundary diffusion in severe plastically deformed metals: State of the art and unresolved issues},
journal = {Diffusion Foundations},
volume = {5},
OPTnumber = {},
OPTmonth = {01},
year = {2015},
OPTpages = {5773},
OPTnote = {},
OPTkey = {},
DOI = {10.4028/www.scientific.net/DF.5.57}
}
@MasterThesis{a.gupta20151,
author = {A. Gupta},
title = {Precipitation kinetics in binary alloys},
OPTmonth = {01},
year = {2015},
school = {RuhrUniversit\"at Bochum},
OPTnote = {},
OPTkey = {},
DOI = {}
}