@article{52225,
  author       = {{Schäfer, Mirko and Wagner, Johannes and Schlüter, Alexander and Hesselbach, Jens}},
  issn         = {{2305-9974}},
  journal      = {{SNE Simulation Notes Europe}},
  number       = {{1}},
  pages        = {{1--6}},
  publisher    = {{ARGESIM Arbeitsgemeinschaft Simulation News}},
  title        = {{{Energy Flows in Industrial Buildings and Machines using the Example of a Node Model}}},
  doi          = {{10.11128/sne.22.tn.10103}},
  volume       = {{22}},
  year         = {{2012}},
}

@inproceedings{52228,
  author       = {{Schlüter, Alexander and Rosano, Michele and Böhm, Stefan and Calisir, Necat and Hesselbach, Jens}},
  issn         = {{978-605-63463-1-6}},
  location     = {{Istanbul, Turkey}},
  title        = {{{Effects of Implementing Efficiency Techniques in the Plastics Industry in Germany and Western Australia – A Comparative Modelling Assessment}}},
  year         = {{2012}},
}

@inbook{52420,
  author       = {{Schlüter, Alexander and Martin, Lars and Schäfer, Mirko}},
  booktitle    = {{Energie- und klimaeffiziente Produktion: Grundlagen, Leitlinien und Praxisbeispiele}},
  editor       = {{Hesselbach, Jens}},
  isbn         = {{	 978-3-8348-0448-8}},
  publisher    = {{Springer Vieweg}},
  title        = {{{Energieströme simulieren: Vom Prozess bis zur Fabrik}}},
  year         = {{2012}},
}

@inbook{52419,
  author       = {{Schlüter, Alexander and Schäfer, Mirko}},
  booktitle    = {{Energie- und klimaeffiziente Produktion: Grundlagen, Leitlinien und Praxisbeispiele}},
  editor       = {{Hesselbach, Jens}},
  isbn         = {{978-3-8348-0448-8}},
  pages        = {{101--102}},
  publisher    = {{Springer Vieweg}},
  title        = {{{Von der Modellbildung zur Simulation: Die Vorgehensweise}}},
  year         = {{2012}},
}

@inbook{52421,
  author       = {{Schlüter, Alexander and Leischner, Frank and Rommel, Benjamin}},
  booktitle    = {{Energie- und klimaeffiziente Produktion: Grundlagen, Leitlinien und Praxisbeispiele}},
  editor       = {{Hesselbach, Jens}},
  pages        = {{229--256}},
  publisher    = {{Springer Vieweg}},
  title        = {{{Prozesswärme und Abwärmenutzung}}},
  year         = {{2012}},
}

@misc{52446,
  author       = {{Schlüter, Alexander and Rosano, Michele and Böhm, Stefan and Calisir, Necat and Hesselbach, Jens}},
  publisher    = {{10th Conference on Sustainable Manufacturing}},
  title        = {{{Effects of Implementing Efficiency Techniques in the Plastics Industry in Germany and Western Australia – A Comparative Modelling Assessment, talk}}},
  year         = {{2012}},
}

@misc{52445,
  author       = {{Schlüter, Alexander}},
  publisher    = {{Klimaretter.info}},
  title        = {{{Wenn aus Wärme Kälte wird. Interview}}},
  year         = {{2012}},
}

@article{62788,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>We present a novel approach for the simulation of solid to solid phase‐transformations in polycrystalline materials. To facilitate the utilization of a non‐affine micro‐sphere formulation with volumetric‐deviatoric split, we introduce Helmholtz free energy functions depending on volumetric and deviatoric strain measures for the underlying scalar‐valued phase‐transformation model. As an extension of affine micro‐sphere models [5], the non‐affine micro‐sphere formulation with volumetric‐deviatoric split allows to capture different Young's moduli and Poisson's ratios on the macro‐scale [1]. As a consequence, the temperature‐dependent free energy assigned to each individual phase takes the form of an elliptic paraboloid in volumetric‐deviatoric strain space, where the energy landscape of the overall material is obtained from the contributions of the individual constituents. For the evolution of volume fractions, we use an approach based on statistical physics–taking into account actual Gibbs energy barriers and transformation probabilities [2]. The computation of individual energy barriers between the phases considered is enabled by numerical minimization of parametric intersection curves of elliptic Gibbs energy paraboloids. (© 2012 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        = {{277--278}},
  publisher    = {{Wiley}},
  title        = {{{Simulation of phase‐transformations based on numerical minimization of intersecting Gibbs energy potentials}}},
  doi          = {{10.1002/pamm.201210129}},
  volume       = {{12}},
  year         = {{2012}},
}

@article{62787,
  author       = {{Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}},
  issn         = {{0927-0256}},
  journal      = {{Computational Materials Science}},
  pages        = {{12--16}},
  publisher    = {{Elsevier BV}},
  title        = {{{Phase-transformations interacting with plasticity – A micro-sphere model applied to TRIP steel}}},
  doi          = {{10.1016/j.commatsci.2012.05.015}},
  volume       = {{64}},
  year         = {{2012}},
}

@article{13546,
  author       = {{Riefer, A. and Rauls, E. and Schmidt, Wolf Gero and Eberhard, J. and Stoll, I. and Mattay, J.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{16}},
  title        = {{{2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response}}},
  doi          = {{10.1103/physrevb.85.165202}},
  volume       = {{85}},
  year         = {{2012}},
}

@article{13545,
  author       = {{Landmann, M and Rauls, E and Schmidt, Wolf Gero}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  title        = {{{The electronic structure and optical response of rutile, anatase and brookite TiO2}}},
  doi          = {{10.1088/0953-8984/24/19/195503}},
  volume       = {{24}},
  year         = {{2012}},
}

@article{13548,
  author       = {{Thissen, Peter and Thissen, Vera and Wippermann, Stefan and Chabal, Yves J. and Grundmeier, Guido and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{902--907}},
  title        = {{{pH-dependent structure and energetics of H2O/MgO(100)}}},
  doi          = {{10.1016/j.susc.2012.01.018}},
  volume       = {{606}},
  year         = {{2012}},
}

@article{13542,
  author       = {{Thissen, Peter and Peixoto, Tatiana and Longo, Roberto C. and Peng, Weina and Schmidt, Wolf Gero and Cho, Kyeongjae and Chabal, Yves J.}},
  issn         = {{0002-7863}},
  journal      = {{Journal of the American Chemical Society}},
  pages        = {{8869--8874}},
  title        = {{{Activation of Surface Hydroxyl Groups by Modification of H-Terminated Si(111) Surfaces}}},
  doi          = {{10.1021/ja300270w}},
  volume       = {{134}},
  year         = {{2012}},
}

@article{13543,
  author       = {{Rauls, E. and Schmidt, Wolf Gero and Pertram, T. and Wandelt, K.}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{1120--1125}},
  title        = {{{Interplay between metal-free phthalocyanine molecules and Au(110) substrates}}},
  doi          = {{10.1016/j.susc.2012.03.010}},
  volume       = {{606}},
  year         = {{2012}},
}

@article{13560,
  author       = {{Hölscher, R. and Sanna, S. and Schmidt, Wolf Gero}},
  issn         = {{1862-6351}},
  journal      = {{physica status solidi (c)}},
  number       = {{6}},
  pages        = {{1361--1365}},
  title        = {{{Adsorption of OH and H at the LiNbO3(0001) surface}}},
  doi          = {{10.1002/pssc.201100534}},
  volume       = {{9}},
  year         = {{2012}},
}

@article{13539,
  author       = {{Rode, S. and Hölscher, R. and Sanna, S. and Klassen, S. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{7}},
  title        = {{{Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy}}},
  doi          = {{10.1103/physrevb.86.075468}},
  volume       = {{86}},
  year         = {{2012}},
}

@article{13534,
  author       = {{Wall, Simone and Krenzer, Boris and Wippermann, Stefan and Sanna, Simone and Klasing, Friedrich and Hanisch-Blicharski, Anja and Kammler, Martin and Schmidt, Wolf Gero and Horn-von Hoegen, Michael}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{18}},
  title        = {{{Atomistic Picture of Charge Density Wave Formation at Surfaces}}},
  doi          = {{10.1103/physrevlett.109.186101}},
  volume       = {{109}},
  year         = {{2012}},
}

@article{13536,
  author       = {{Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}},
  issn         = {{0885-3010}},
  journal      = {{IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control}},
  number       = {{9}},
  pages        = {{1929--1933}},
  title        = {{{Linear and nonlinear optical response of LiNbO3 calculated from first principles}}},
  doi          = {{10.1109/tuffc.2012.2409}},
  volume       = {{59}},
  year         = {{2012}},
}

@article{13541,
  author       = {{Landmann, M. and Köhler, T. and Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{6}},
  title        = {{{Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2}}},
  doi          = {{10.1103/physrevb.86.064201}},
  volume       = {{86}},
  year         = {{2012}},
}

@article{13531,
  author       = {{Schmidt, Christian and Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  pages        = {{24098--24106}},
  title        = {{{Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals}}},
  doi          = {{10.1021/jp307316r}},
  volume       = {{116}},
  year         = {{2012}},
}