@article{62790,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>We present an efficient model for the simulation of solid to solid phase‐transformations in polycrystalline materials. As a basis, we implement a scalar‐valued Gibbs‐energy‐barrier‐based phase‐transformation model making use of statistical physics. In this work, we particularly adopt the model for the simulation of phase‐transformations between an austenitic parent phase and a martensitic tension and compression phase. The incorporation of plasticity phenomena is established by enhancing the Helmholtz free energy functions of the material phases considered, where the plastic driving forces acting in each phase are derived from the overall free energy potential. The coupled model is embedded into a micro‐sphere formulation in order to simulate three‐dimensional boundary value problems—a technique well‐established in the context of computational inelasticity at small strains. It is shown that the model is capable of reflecting experimentally observed behaviour. (© 2011 Wiley‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)</jats:p>}},
  author       = {{Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}},
  issn         = {{1617-7061}},
  journal      = {{PAMM}},
  number       = {{1}},
  pages        = {{417--418}},
  publisher    = {{Wiley}},
  title        = {{{Interaction of phase‐transformations and plasticity – a multi‐phase micro‐sphere approach}}},
  doi          = {{10.1002/pamm.201110200}},
  volume       = {{11}},
  year         = {{2011}},
}

@article{62789,
  author       = {{Biermann, D. and Menzel, A. and Bartel, T. and Höhne, F. and Holtermann, R. and Ostwald, Richard and Sieben, B. and Tiffe, M. and Zabel, A.}},
  issn         = {{1877-7058}},
  journal      = {{Procedia Engineering}},
  pages        = {{22--27}},
  publisher    = {{Elsevier BV}},
  title        = {{{Experimental and Computational Investigation of Machining Processes for Functionally Graded Materials}}},
  doi          = {{10.1016/j.proeng.2011.11.074}},
  volume       = {{19}},
  year         = {{2011}},
}

@article{13565,
  author       = {{Müllegger, Stefan and Schöfberger, Wolfgang and Rashidi, Mohammad and Lengauer, Thomas and Klappenberger, Florian and Diller, Katharina and Kara, Kamuran and Barth, Johannes V. and Rauls, Eva and Schmidt, Wolf Gero and Koch, Reinhold}},
  issn         = {{1936-0851}},
  journal      = {{ACS Nano}},
  number       = {{8}},
  pages        = {{6480--6486}},
  title        = {{{Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System}}},
  doi          = {{10.1021/nn201708c}},
  volume       = {{5}},
  year         = {{2011}},
}

@article{13566,
  author       = {{Hoehne, Felix and Lu, Jinming and Stegner, Andre R. and Stutzmann, Martin and Brandt, Martin S. and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{19}},
  title        = {{{Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures}}},
  doi          = {{10.1103/physrevlett.106.196101}},
  volume       = {{106}},
  year         = {{2011}},
}

@article{13568,
  author       = {{Mietze, C. and Landmann, M. and Rauls, E. and Machhadani, H. and Sakr, S. and Tchernycheva, M. and Julien, F. H. and Schmidt, Wolf Gero and Lischka, K. and As, Donat Josef}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{19}},
  title        = {{{Band offsets in cubic GaN/AlN superlattices}}},
  doi          = {{10.1103/physrevb.83.195301}},
  volume       = {{83}},
  year         = {{2011}},
}

@article{13570,
  author       = {{Müllegger, S. and Rashidi, M. and Lengauer, T. and Rauls, E. and Schmidt, Wolf Gero and Knör, G. and Schöfberger, W. and Koch, R.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{16}},
  title        = {{{Asymmetric saddling of single porphyrin molecules on Au(111)}}},
  doi          = {{10.1103/physrevb.83.165416}},
  volume       = {{83}},
  year         = {{2011}},
}

@article{13567,
  author       = {{Konopka, A. and Greulich-Weber, S. and Dierolf, V. and Jiang, H.X. and Gerstmann, Uwe and Rauls, E. and Sanna, S. and Schmidt, Wolf Gero}},
  issn         = {{0925-3467}},
  journal      = {{Optical Materials}},
  pages        = {{1041--1044}},
  title        = {{{Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors}}},
  doi          = {{10.1016/j.optmat.2010.12.005}},
  volume       = {{33}},
  year         = {{2011}},
}

@article{13571,
  author       = {{Thierfelder, C. and Witte, M. and Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{746--749}},
  title        = {{{Methane adsorption on graphene from first principles including dispersion interaction}}},
  doi          = {{10.1016/j.susc.2011.01.012}},
  volume       = {{605}},
  year         = {{2011}},
}

@article{13569,
  author       = {{Favero, P.P. and Ferraz, A.C. and Schmidt, Wolf Gero and Miotto, R.}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{824--830}},
  title        = {{{Driving forces for the adsorption of cyclopentene on InP(001)}}},
  doi          = {{10.1016/j.susc.2011.01.027}},
  volume       = {{605}},
  year         = {{2011}},
}

@article{13563,
  author       = {{Schmidt, Wolf Gero and Babilon, M. and Thierfelder, C. and Sanna, S. and Wippermann, S.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{11}},
  title        = {{{Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array}}},
  doi          = {{10.1103/physrevb.84.115416}},
  volume       = {{84}},
  year         = {{2011}},
}

@article{13561,
  author       = {{Berth, Gerhard and Hahn, Wjatscheslaw and Wiedemeier, Volker and Zrenner, Artur and Sanna, Simone and Schmidt, Wolf Gero}},
  issn         = {{0015-0193}},
  journal      = {{Ferroelectrics}},
  pages        = {{44--48}},
  title        = {{{Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy}}},
  doi          = {{10.1080/00150193.2011.594774}},
  volume       = {{420}},
  year         = {{2011}},
}

@article{13564,
  author       = {{dos Santos, L. S. and Schmidt, Wolf Gero and Rauls, E.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{11}},
  title        = {{{Group-VII point defects in ZnSe}}},
  doi          = {{10.1103/physrevb.84.115201}},
  volume       = {{84}},
  year         = {{2011}},
}

@article{62929,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Two slightly different, efficient tight‐binding (TB) models for the description of the electronic properties of nitride‐based semiconductor quantum dots (QDs) have been developed and applied to the calculation of the electronic one‐particle spectrum of these structures. Using these one‐particle QD‐states, dipole and Coulomb matrix elements can be calculated, from which the optical properties of these systems can be obtained. These TB calculations have been performed for nitride‐based QDs with a cubic zincblende structure and those with a wurtzite crystal structure. In this paper, we discuss the general methodology used and the results obtained for the electronic one‐particle states and energies, for the dipole and Coulomb matrix elements, and for the excitonic optical emission and absorption spectra.</jats:p>}},
  author       = {{Schulz, S. and Mourad, D. and Schumacher, Stefan and Czycholl, G.}},
  issn         = {{0370-1972}},
  journal      = {{physica status solidi (b)}},
  number       = {{8}},
  pages        = {{1853--1866}},
  publisher    = {{Wiley}},
  title        = {{{Tight‐binding model for the electronic and optical properties of nitride‐based quantum dots}}},
  doi          = {{10.1002/pssb.201147158}},
  volume       = {{248}},
  year         = {{2011}},
}

@article{62928,
  author       = {{Montgomery, Neil A. and Denis, Jean-Christophe and Schumacher, Stefan and Ruseckas, Arvydas and Skabara, Peter J. and Kanibolotsky, Alexander and Paterson, Martin J. and Galbraith, Ian and Turnbull, Graham A. and Samuel, Ifor D. W.}},
  issn         = {{1089-5639}},
  journal      = {{The Journal of Physical Chemistry A}},
  number       = {{14}},
  pages        = {{2913--2919}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Optical Excitations in Star-Shaped Fluorene Molecules}}},
  doi          = {{10.1021/jp1109042}},
  volume       = {{115}},
  year         = {{2011}},
}

@inproceedings{63079,
  author       = {{Fechner, Sabine and Bremkes, T. and Harbach, Andrea and Kölbach, Eva and Lindner, Martin and Nentwig, Peter and Parchmann, Ilka and Ralle, Bernd and Sumfleth, Elke and van Vorst, Helena }},
  booktitle    = {{Naturwissenschaftliche Bildung als Beitrag zur Gestaltung partizipativer Demokratie}},
  editor       = {{Höttecke, Dietmar}},
  publisher    = {{Lit}},
  title        = {{{Kontextorientiertes Lernen in der chemiedidaktischen Forschung}}},
  year         = {{2011}},
}

@article{13825,
  author       = {{Sanna, S. and Thierfelder, C. and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{5}},
  title        = {{{Barium titanate ground- and excited-state properties from first-principles calculations}}},
  doi          = {{10.1103/physrevb.83.054112}},
  volume       = {{83}},
  year         = {{2011}},
}

@article{13823,
  author       = {{Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and Zrenner, Artur and Schmidt, Wolf Gero}},
  issn         = {{0885-3010}},
  journal      = {{IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}},
  number       = {{9}},
  pages        = {{1751--1756}},
  title        = {{{Vibrational properties of the LiNbO3 z-surfaces}}},
  doi          = {{10.1109/tuffc.2011.2012}},
  volume       = {{58}},
  year         = {{2011}},
}

@article{13824,
  author       = {{Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{6}},
  title        = {{{Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon}}},
  doi          = {{10.1103/physrevb.84.064126}},
  volume       = {{84}},
  year         = {{2011}},
}

@article{4089,
  abstract     = {{We study the influence of the phonon environment on the electron dynamics in a doped quantum dot molecule. A non-perturbative quantumkinetic theory based on correlation expansion is used in order to describe both diagonal and off-diagonal electron-phonon couplings representing real and virtual processes with relevant acoustic phonons. We show that the relaxation is dominated by phononassisted electron tunneling between constituent quantum dots and occurs on a picosecond time scale. The dependence of the time evolution of the quantum dot occupation probabilities on the energy mismatch between the quantum dots is studied in detail.}},
  author       = {{Grodecka-Grad, Anna and Förstner, Jens}},
  issn         = {{1862-6351}},
  journal      = {{physica status solidi (c)}},
  keywords     = {{tet_topic_qd}},
  number       = {{4}},
  pages        = {{1125--1128}},
  publisher    = {{Wiley}},
  title        = {{{Phonon-assisted decoherence and tunneling in quantum dot molecules}}},
  doi          = {{10.1002/pssc.201000824}},
  volume       = {{8}},
  year         = {{2011}},
}

@article{4120,
  abstract     = {{The intensity dependence of optically-induced injection currents in unbiased GaAs semiconductor quantum wells grown in [110] direction is investigated theoretically for a number of well widths. Our microscopic analysis is based
on a 14 x 14 band k . p method in combination with the multisubband semiconductor Bloch equations. An oscillatory
dependence of the injection current transients as function of intensity and time is predicted and explained. It is demonstrated that optical excitations involving different subbands and Rabi flopping are responsible for this complex
dynamics.}},
  author       = {{Pochwała, Michał and Duc, Huynh Thanh and Förstner, Jens and Meier, Torsten}},
  issn         = {{1862-6254}},
  journal      = {{physica status solidi (RRL) - Rapid Research Letters}},
  keywords     = {{tet_topic_qw}},
  number       = {{3}},
  pages        = {{119--121}},
  publisher    = {{Wiley}},
  title        = {{{Intensity-dependent ultrafast dynamics of injection currents in unbiased GaAs quantum wells}}},
  doi          = {{10.1002/pssr.201004529}},
  volume       = {{5}},
  year         = {{2011}},
}