J. Neugebauer

Steel design from fully parameter-free ab initio computer simulations (2009)

Hickel, T., Dick, A., Grabowski, B., Körmann, F., Neugebauer, J.

Understanding the phase transformations of the Ni2MnGa shape memory system from first principles (2009)

Uijttewaal, M., Hickel, T., Neugebauer, J., Gruner, M. E., Entel, P.

Direct minimization technique for metals in density-functional theory (2009)

Freysoldt, C., Boeck, S., Neugebauer, J.

Interplay between long-range elastic ans short-range chemical interactions in Fe-C martensite formation (2009)

Udyansky, A., Von Pezold, J., Bugaev, V. N., Friák, M., Neugebauer, J.

Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys (2009)

Counts, W. A., Friák, M., Raabe, D., Neugebauer, J.

Interplay between long-range elastic and short-range chemical interactions in Fe-C martensite formation (2009)

Udyansky, A., Von Pezold, J., Bugaev, N. V., Friák, M., Neugebauer, J.

Fundamental materials-design limits in ultra light-weight Mg-Li alloys determined from ab initio calculations (2009)

Counts, W. A., Friák, M., Raabe, D., Neugebauer, J.

Implementation of the real-space k.p formalism and continuum elasticity theory in the plane-wave software library S/PHI/nX (2009)

Marquardt, O., Boeck, S., Freysoldt, C., Hickel, T., Neugebauer, J.

Overview of the crystal plasticity finite element method (2009)

Raabe, D., Roters, F., Eisenlohr, P., Zaefferer, S., Tjahjanto, D. D., Demir, E., ...

Defects, Impurities and Doping Levels in Wide-Band-Gap Semiconductors (2008)

J. Neugebauer

Ab-initio simulation and experimental validation of beta-titanium alloys (2008)

Raabe, D., Sander, B., Friak, M., Ma, D., Neugebauer, J.

In this progress report we present a new approach to the ab-initio guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical simulation method in conjunction...

Ab initio study of the alpha-iron stability limits (2008)

Friák, M., Sob, M., Kim, O., Ismer, L., Neugebauer, J.

First principles study of the alpha-iron stability limits (2008)

Friák, M., Sob, M., Kim, O., Ismer, L., Neugebauer, J.

Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions (2008)

Körmann, F., Dick, A., Grabowski, B., Hallstedt, B., Hickel, T., Neugebauer, J.

Determination of symmetry reduced structures by a soft-phonon analysis in Ni_2MnGa (2008)

Hickel, T., Uijttewaal, M., Grabowski, B., Neugebauer, J.

A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots (2008)

Marquardt, O., Mourad, D., Schulz, S., Hickel, T., Czycholl, G., Neugebauer, J.

Enhancing nitrogen solubility in GaAs and InAs by surface kinetics: An ab initio study (2008)

Abu-Farsakh, H., Neugebauer, J.

Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure (2008)

Nikolov, S., Sachs, C., Fabritius, H., Raabe, D., Petrov, M., Friak, M., ...

Multiscale Modelling of the Elastic Properties of Biological Polymer-Based Nanocomposites with Hierarchical Microstructure: The Lobster Cuticle (2008)

Nikolov, S., Petrov, M., Friak, M., Sachs, C., Fabritius, H., Raabe, D., ...

Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure (2008)

Nikolov, S., Sachs, C., Fabritius, H., Raabe, D., Petrov, M., Friak, M., ...

Multiscale Modelling of the Elastic Properties of Biological Polymer-Based Nanocomposites with Hierarchical Microstructure: The Lobster Cuticle (2008)

Nikolov, S., Petrov, M., Friak, M., Sachs, C., Fabritius, H., Raabe, D., ...

The pressure dependence of the Curie temperature in bcc iron predicted by ab initio simulations (2008)

Körmann, F., Dick, A., Hickel, T., Neugebauer, J.

Theory-guided design of Ti-based binaries for human implants (2008)

Friák, M., Sander, B., Raabe, D., Neugebauer, J.

Understanding the phase transformations of the Ni2MnGa shape memory system (2008)

Uijttewaal, M., Hickel, T., Neugebauer, J.

Ab-initio simulation and experimental validation of beta-titanium alloys (2008)

Raabe, D., Sander, B., Friák, M., Ma, D., Neugebauer, J.

Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN (2008)

Rinke, P., Winkelnkemper, M., Qteish, A., Bimberg, D., Neugebauer, J., Scheffler, M.

Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy (2008)

Rinke, P., Qteish, A., Bimberg, D., Neugebauer, J., Scheffler, M.

Error-propagation in multiscale approaches to the elasticity of polycrystals (2008)

Friák, M., Counts, W. A., Raabe, D., Neugebauer, J.

A map for phase-change materials (2008)

Lencer, D., Salinga, M., Grabowski, B., Hickel, T., Neugebauer, J.

Using ab initio calculations in designing bcc Mg-Li alloys for ultra light-weight applications (2008)

Counts, W. A., Friák, M., Raabe, D., Neugebauer, J.

A comparison of polycrystalline elastic constants computed by analytic homogenization schemes and FEM (2008)

Counts, W. A., Friak, M., Battaile, C. C., D. Raabe, D., Neugebauer, J.

Multiscale simulation of polycrystal mechanics of textured β-Ti alloys using ab initio and crystal-based finite element methods (2008)

Ma, D., Friák, M., Neugebauer, J., Raabe, D., Roters, F.

A comparison of polycrystalline elastic constants computed by analytic homogenization schemes and FEM (2008)

Counts, W. A., Friak, M., Battaile, C. C., D. Raabe, D., Neugebauer, J.

Error-propagation in multiscale approaches to the elasticity of polycrystals (2008)

Friák, M., Counts, W. A., Raabe, D., Neugebauer, J.

Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers (2008)

Friák, M., Sob, M., Kim, O., Ismer, L., Neugebauer, J.

Theory-guided bottom-up design of β-titanium alloys as biomaterials based on first principles calculations: Theory and experiments (2007)

Raabe, D., Sander, B., Friák, M., Ma, D., Neugebauer, J.

Bulk Electronic Structure of Metals Resolved with Scanning Tunneling Microscopy. (2006)

Pascual, J. I., Dick, A., Hansmann, M., Neugebauer, J., Horn, K.

Polarity inversion of GaN (0001) surfaces induced by Si adsorption. (2006)

Rosa, A. L., Neugebauer, J.

Understanding Si adsorption on GaN (0001) surfaces using first-principles calculations. (2006)

Rosa, A. L., Neugebauer, J.

First-principles calculations of the structural and electronic properties of clean GaN (0001) surfaces. (2006)

Rosa, A. L., Neugebauer, J.

Hydrogen in Semiconductors (2006)

Van De Walle, C. G., Neugebauer, J.

Generalized Wannier functions: An efficient way to construct ab-initio tight-binding parameters for group-III nitrides. (2006)

Wahn, M., Neugebauer, J.

Energy-dependent contrast in atomic-scale spin-polarized scanning tunneling microscopy of Mn3N2 (010) (2006)

Yang, R., Yang, H., Smith, A. R., Dick, A., Neugebauer, J.

Proceedings of the 6th International Conference of Nitride Semiconductors (2006)

Hildebrandt, S., Lymperakis, L., Neugebauer, J., Stutzmann, M.

Understanding Si adsorption on GaN (0001) surfaces using first-principles calculations. (2006)

Rosa, A., Neugebauer, J.

Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory. (2006)

Rinke, P., Qteish, A., Winkelnkemper, M., Bimberg, D., Neugebauer, J., Scheffler, M.

Bulk electronic structure of metals resolved with scanning tunneling microscopy (2006)

Pascual, Jose I., Dick, A., Hansmann, Martin, Rust, Hans-Peter, Neugebauer, J., Horn, Karsten

Role of semicore states in the electronic structure of group-III nitrides: An exact exchange study (2005)

Qteish, A., Al-Sharif, A. I., Fuchs, M., Scheffler, M., Boeck, S., Neugebauer, J.

The bandstructure of the zinc-blende phase of AlN, GaN, InN is calculated employing the exact-exchange (EXX) Kohn-Sham density-functional theory and a pseudopotential plane-wave approach. The cation...

Chemically ordered Al(x)Ga(1-x)N alloys: Spontaneous formation of natural quantum wells (2005)

Albrecht, M., Lymperakis, L., Neugebauer, J., Northrup, J.E., Kirste, L., Leroux, M., ...

We combine transmission electron microscopy, high-resolution x-ray diffraction, cathodoluminescence, and photoluminescence experiments with first-principles calculations to study the formation,...

Ensorgungswirtschaftliches Stoffstrommanagement. Instrumente für einen nachhaltigen Umgang mit Abfällen im nationalen und internationalen Kontext: Herrn Professor Dr. rer. nat. Rolf Kümmmel zum 65. Geburtstag (2005)

Hiebel, M., Neugebauer, J., Keldenich, K.

Chemically ordered AlGaN alloys: Spontaneous formation of natural quantum dots. (2005)

Albrecht, M., Lymperakis, L., Neugebauer, J., Northrup, J. E., Kirste, L., Leroux, M., ...

Structural transitions in the polyalanine a-Helix under uniaxial strain (2005)

Ireta, J., Neugebauer, J., Scheffler, M., Rojo, A., Galvan, M.

Phonon-spectra and thermodynamic properties of the infinite polyalanine alpha-helix: A DFT-based harmonic vibrational analysis (2005)

Ismer, L., Ireta, J., Boeck, S., Neugebauer, J.

Metal-adlayer-stabilized ZnO(0001) sufaces: Towards a new growth mode for oxides (2005)

Northrup, J. E., Neugebauer, J.

Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study. (2005)

Qteish, A., Al-Sharif, A. I., Fuchs, M., Scheffler, M., Boeck, S., Neugebauer, J.

Exact-exchange calculations of the electronic structure of AlN, GaN and InN (2005)

Qteish, A., Al-Sharif, A. I., Fuchs, M., Scheffler, M., Boeck, S., Neugebauer, J.

Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound seminconductors. (2005)

Rinke, P., Qteish, A., Neugebauer, J., Freysoldt, C., Scheffler, M.

Recent Advances in Atomic-Scale Spin-Polarized Scanning. (2005)

Smith, A. R., Yang, R., Yang, H. Q., Dick, A., Neugebauer, J., Lambrecht, W. R. L.

Chemically ordered AlGaN alloys: Spontaneous formation of natural quantum dots. (2005)

Albrecht, M., Lymperakis, L., Neugebauer, J., Northrup, J. E., Kirste, L., Leroux, M., ...

Gallium adsorption on (0001) GaN surfaces (2003)

Adelmann, C., Brault, J., Mula, G., Daudin, B., Lymperakis, L., Neugebauer, J.

We study the adsorption behavior of Ga on (0001) GaN surfaces combining experimental specular reflection high-energy electron diffraction with theoretical investigations in the framework of a kinetic...

Innovative Technologien und Managementkonzepte zur Schließung von Stoffkreisläufen - Konfektionierung - ECO2L - Chile (2001)

Keldenich, K., Rechberger, M., Wolf, C., Neugebauer, J.

"Die Nutzung von Ersatzbrennstoffen stellt als energetische Verwertung eine Säule moderner Abfallwirtschaftskonzepte dar und schlägt gleichzeitig die Brücke zur Kreislaufwirtschaft. Die...

Management of material flows in waste disposal networks : a new approach for the economic and ecological combination of logistics and process engineering (2001)

Neugebauer, J., Pflaum, H., Fahlenkamp, H.

Die Abfallwirtschaft hat sich in den letzten Jahrzehnten von einer Hauptstraße - d. h. die ausschließliche Verbringung von Abfällen auf Deponien, ggf. mit thermischer Vorbehandlung - zu einem...

Identification of surface anion antisite defects in (110) surfaces of III-V semiconductors (2001)

Ebert, P., Quadbeck, W. J., Urban, K., Henninger, B., Horn, K., Schwarz, G., ...

This version is available at the following Publisher URL: http://apl.aip.org

Point defects on III-V semiconductor surfaces (2000)

Schwarz, G., Neugebauer, J., Scheffler, M.

The basic properties of point defects (atomic geometry, the position of charge-transfer levels, and formation energies) on the (110) surface of GaAs, GaP, and InP have been calculated employing...

Symmetric Versus Nonsymmetric Structure of the Phosphorus Vacancy on InP(110) (2000)

Ebert, Ph., Urban, K., Aballe, L., Chen, C. H., Horn, K., Schwarz, G., ...

The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional...

Benchmarking with regard to the optimization of waste incineration plants using standardized indicators (2000)

Bruinsma, A., Neugebauer, J., Keldenich, K., Fahlenkamp, H.

Over the past few years, the German waste management branch has succeeded to achieve a remarkable, internationally accepted standard both in terms of technological and ecological aspects. Due to...

Benchmarking in der Abfallwirtschaft - Betriebsoptimierung auf Basis standardisierter Kennzahlen für MVA (2000)

Bruinsma, A., Neugebauer, J., Keldenich, K., Fahlenkamp, H.

Die thermische Abfallentsorgung hat in den zurückliegenden Jahren technisch und ökologisch ein weltweit renommiertes Niveau erreicht. Aufgrund sich verändernder Rahmenbedingungen (Änderungen...

Feinteiliger Brennstoff aus Abfall (2000)

Keldenich, K., Bertling, J., Neugebauer, J., Wilczek, M.

Die Deutsche Abfallwirtschaft ist aufgrund der politischen und marktwirtschaftlichen Rahmenbedingungen an einem Scheideweg angekommen: Auf der einen Seite sind Behandlungstechniken auf international...

Zum Management von Ersatzbrennstoffen in einer modernen Abfallwirtschaft (2000)

Keldenich, K., Neugebauer, J., Wolf, C.

Die Abfallwirtschaft hat sich in den letzten Jahrzehnten von einer Hauptstraße - d. h. die ausschließliche Verbringung von Abfällen auf Deponien, ggf. mit thermischer Vorbehandlung - zu einem...

Konzeptionen zur Kopplung von mechanischen und mechanisch-biologischen Aufbereitungsverfahren sowie thermischen Verfahren zur Verwertung und Beseitigung von Siedlungsabfällen - Abfallstrommanagement (2000)

Keldenich, K., Neugebauer, J., Wilczek, M., Wolf, C.

Basis einer Bewertung und Optimierung von Entsorgungsnetzwerken ist die moeglichst genaue Beschreibung der darin enthaltenen Prozesse und der damit verbundenen Stoff-, Energie- und Kostenstroeme. Um...

Transparente Entscheidungen in der Entsorgungswirtschaft: Die intelligente Vernetzung von logistischen und verfahrenstechnischen Prozessen führt zu einem wirtschaftlichen und umweltverträglichen Optimum (2000)

Meyer, P.B., Meyer, P.Ö., Neugebauer, J., Wolf, C.

Die doppelte Nachhaltigkeit (Ökox2) von Investitionsentscheidungen im Bereich der Entsorgungswirtschaft wird zunehmend interessant. Dabei sind primär die Kosten (Investitionen, laufende...

Ökonomische Ökologie. Handlungsalternativen bei der Abfallentsorgung bewerten (2000)

Wolf, C., Rechberger, M., Bruinsma, A., Neugebauer, J., Palitzsch, S., Meyer, P.B., ...

Basis einer Bewertung und Optimierung von Entsorgungsnetzwerken ist die möglichst genaue Beschreibung der darin enthaltenen Prozesse und der damit verbundenen Stoff-, Energie- und Kostenströme. Um...

Symmetric versus non-symmetric structure of the phosphorous vacancy in InP(110) (2000)

Ebert, P., Urban, K., Aballe, L., Chen, C. C., Horn, K., Schwarz, G., ...

This version is available at the following URL: http://prl.aps.org

Phase stability and segregation of In_xGa_1-xN alloys (1999)

Grosse,F., Neugebauer,J., Scheffler,M.

Theory of hydrogen in GaN (1999)

Neugebauer,J., Van De Walle,C. G.

Surfaces and growth of group-III nitrides (1999)

Neugebauer,J., Zywietz,T. K., Scheffler,M., Northrup,J. E.

Hydrogen and acceptor compensation in GaN (1999)

Van De Walle,C. G., Johnson,N. M., Neugebauer,J.

Yellow luminescence in GaN (1999)

Van De Walle,C. G., Neugebauer,J.

Native defects, impurities, and doping in GaN and related compounds: general remarks (1999)

Van De Walle,C. G., Neugebauer,J., Stampfl,C.

Phase stability and segregation of In_xGa_1-xN alloys (1999)

Grosse, F., Neugebauer, J., Scheffler, M., Gershoni, D.

Theory of hydrogen in GaN (1999)

Neugebauer, J., Van De Walle, C. G., Nickel, N.

Surfaces and growth of group-III nitrides (1999)

Neugebauer, J., Zywietz, T. K., Scheffler, M., Northrup, J. E., Gershoni, D.

Hydrogen and acceptor compensation in GaN (1999)

Van De Walle, C. G., Johnson, N. M., Neugebauer, J., Edgar, J., Strite, S., Akasaki, I., ...

Yellow luminescence in GaN (1999)

Van De Walle, C. G., Neugebauer, J., Edgar, J., Strite, S., Akasaki, I., Amano, H., ...

Native defects, impurities, and doping in GaN and related compounds: general remarks (1999)

Van De Walle, C. G., Neugebauer, J., Stampfl, C., Edgar, J., Strite, S., Akasaki, I., ...

Benchmarking in der Abfallwirtschaft. Ein zukunftsorientiertes Instrument zur ökonomischen, ökologischen und technischen Optimierung von Entsorgungsprozessen (1999)

Neugebauer, J., Bruinsma, A., Beckmann, R., Kümmel, R., Fahlenkamp, H.

Die deutsche Entsorgungswirtschaft hat in den zurueckliegenden Jahren sowohl technisch als auch oekologisch ein weltweit vielbeachtetes Niveau erreicht. Aufgrund veraenderter Rahmenbedingungen im...

Novel Reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors (1998)

Zywietz, T. K., Neugebauer, J., Scheffler, M., Northrup, J. E.

We have studied the driving forces governing reconstructions on polar GaN surfaces employing first-principles total-energy calculations. Our results reveal properties not observed for other...

Adatom Diffusion at GaN (0001) and (000bar1) Surfaces (1998)

Zywietz, T., Neugebauer, J., Scheffler, M.

The diffusion of Ga and N adatoms has been studied for the technologically relevant wurtzite (000bar1) and (0001) surfaces employing density-functional theory. Our calculations reveal a very...

Messrad mit mehreren kombinierten Radial-/Tangentialverbindungen: Messrad (A) (1998)

Neugebauer, J., Grubisic, V., Rupp, A.

In summary, the invention provides a measuring wheel comprising a hub, a rim and at least one connection arrangement between the hub and the rim and comprising one or several measuring elements in or...

Handbediengeraet zur Bewegungsvorgabe und Programmierung von Robotern (1998)

Neugebauer, J.

The hand set uses press buttons and allows the choice of different coordinate systems and various degrees of freedom. A 3-D sensor system (5) evaluates the position and movement of the hand set in...

Electronic and structural properties of vacancies on and below the GaP(110) surface (1997)

Schwarz, G., Kley, A., Neugebauer, J., Scheffler, M.

We have performed total-energy density-functional calculations using first-principles pseudopotentials to determine the atomic and electronic structure of neutral surface and subsurface vacancies at...

Defects and doping in III-V nitrides (1997)

Van De Walle,C. G., Neugebauer,J.

Theory of point defects and interfaces (1997)

Van De Walle,C. G., Neugebauer,J.

Defects and doping in III-V nitrides (1997)

Van De Walle, C. G., Neugebauer, J., Davies, G., Nazaré, M. H.

Theory of point defects and interfaces (1997)

Van De Walle, C. G., Neugebauer, J., Ponce, F. A., Moustakas, T. D., Akasaki, I., Monemar, B. A.

Role of defects and impurities in doping of GaN (1996)

Neugebauer, J., Van De Walle, C. G.

We have calculated formation energies and position of the defect levels for all native defects and for a variety of donor and acceptor impurities employing first-principles total-energy calculations....

Role of defects and impurities in doping of GaN (1996)

Neugebauer,J., Van De Walle,C. G.

Role of defects and impurities in doping of GaN (1996)

Neugebauer, J., Van De Walle, C. G., Scheffler, M., Zimmermann, R.

Interface stability and valence-band offsets for the GaAs/ZnSe(001) heterojunction (1995)

Kley,A., Neugebauer,J., Scheffler,M.

Interface stability and valence-band offsets for the GaAs/ZnSe(001) heterojunction (1995)

Kley, A., Neugebauer, J., Scheffler, M., Lockwood, D. J.

Verfahren zur selektiven Vereinfachung der Darstellung von graphischen Informationen mit hoher Dynamik (1994)

Neugebauer, J., Daeinghaus, R., Strommer, W.

The description refers to a process for the selective simplification of the display of graphical information with high dynamics by using the available performance of a computer or a data processing...

Development of a multi-component wheel force transducer - a tool to support vehicle design and validation. (1993)

Rupp, A., Grubisic, V., Neugebauer, J.

The design and validation process of a new car requires detailed knowledge of the interaction of dynamic forces and moments introduced into the rotating wheel. These forces are measured under...

The virtual reality demonstration centre (1993)

Göbel, M., Neugebauer, J.

This paper describes the first European Demonstration Centre for Virtual Reality, which has been installed at four intitutes for applied research in Germany. The aims of this setting and its...

Messrad (1993)

Neugebauer, J., Grubisic, V.

The invention relates to a measuring wheel having a hub and a rim and at least one connection arrangement between the hub and the rim, and having one or several measuring elements in or on the...

Virtual reality applied to industrial robots (1992)

Neugebauer, J., Strommer, W., Schraft, R.D.

The paper describes the development of a virtual reality testbed for industrial robot applications. The objectives of applying virtual reality techniques to robotics are to improve the human-machine...

Potentiale elektronischer Illusionen. Der virtuelle Trip durch künftige Fertigungszellen (1992)

Neugebauer, J., Schraft, R.D.

The paper describes the development of a virtual reality tested for robotics. The new interfaces between operator and robot simulation system and the real robot improve the interaction between man,...

IPA präsentiert "Virtual Reality" in der Robotik (1992)

Neugebauer, J., Schraft, R.D.

Die Schnittstelle Mensch-Maschine ist ein Thema, das so alt ist wie die Entwicklung der Maschine selbst. Basierend auf dem "Siegeszug" der Elektronik wurden schon in den letzten Jahren Erfolge...

Industrial robot simulation with virtual reality. (1992)

Neugebauer, J., Strommer, W.

The paper describes new methods of industrial robot simulation by using Virtual Reality techniques. The objectives of the research work at IPA Stuttgart are to improve the man-machine-interface to...

Industrial applications of virtual reality. Robot application planning. (1992)

Neugebauer, J.

The paper describes the development of a virtual reality testbed for robotics. The new interfaces between operator and robot simulation system and the real robot improve the interaction between man,...

Highlight der Hannover Messe. Roboter in virtuellen Welten (1992)

Neugebauer, J.

Zu den spektakulärsten Entwicklungen der Informatik in den letzten Jahren gehören die "virtual realities". Dank Videohelm und Datenhandschuh eröffnen sich Welten, die nur im Computer existieren....

Verfahren zur Messung der globalen Verformung eines Reifens (1991)

Neugebauer, J., Diefenbach, W., Grubisic, V.

Zur Ermittlung der vertikalen und lateralen Verformungen eines Reifens (1) erfasst man in einer Querschnittsebene des Reifens die Verschiebungen eines fuer dessen Verformungsverhalten...

Vorgehen zur Bemessung und Gewichtsoptimierung von Nutzfahrzeug-Vorderachsen (1989)

Grubisic, V., Neugebauer, J., Schröder, W.

The method of fatigue evaluation under operational conditions is a prerequisit to achieve optimal designs with respect to the weight of the structure considered. This will be demonstrated for a...

Analysis of tire loads and deformations under operational conditions (1988)

Fleischman, T.S., Grubisic, V., Neugebauer, J., Stalnaker, D.O.

Knowledge of the loads and deformations experienced by a tire under operational conditions is essential for the design and testing of tires. Increasing use of analytical stress analysis in the tire...

Einsatz moderner experimenteller Methoden bei der Entwicklung eines vierscharigen Vollwendepflugs (1988)

Barlage, B., Neugebauer, J., Niemeyer, R.

Der Aufsatz erlaeutert an einem Beispiel aus dem Landmaschinenbau die bei der Entwicklung eines vierscharigen Vollwendepfluges auf der Basis von Messungen mit Dehnungsmessstreifen unter...

Messwertaufnehmer zur Erfassung hoher oertlicher Oberflaechendehnungen (1987)

Neugebauer, J., Hillen, R., Diefenbach, W.

Der Messwertaufnehmer, der zur Erfassung hoher oertlicher Oberflaechendehnungen dient, wie sie beispielsweise bei der Messung des Verformungsverhaltens von Reifen waehrend des Fahrbetriebes...

Ermittlung des Verformungsverhaltens von Reifen im Fahrbetrieb (1987)

Grubisic, V., Neugebauer, J.

Zum Betriebsfestigkeitsnachweis von Motorradfahrwerkskomponenten (1987)

Grubisic, V., Neugebauer, J.

Fahrwerkskomponenten von Motorraedern sind im Betrieb hohen dynamischen Beanspruchungen unterworfen. Im Rahmen eines Betriebsfestigkeitsnachweises muss gezeigt werden, dass diese Komponenten fuer den...

Zum Schwingfestigkeitsverhalten von Gußwerkstoffen unter mehrachsiger, frequenzverschiedener Beanspruchung (1986)

Neugebauer, J.

Wirbelsaeulendistraktionssystem mit stufenlos verstellbarer, nachgiebiger Krafteinleitung (1986)

Neugebauer, J., Harms, J.

Der vorliegende Beitrag stellt Konzept und Prototyp sowie erste messtechnische Untersuchungen eines sich an das Wirkprinzip des klassischen Harringtonstabes anlehnenden Distraktionssystems mit...

Rechenverfahren zur Abschaetzung des Schwingfestigkeitsverhaltens von Gusswerkstoffen unter mehrachsiger, frequenzgleicher und frequenzverschiedener Beanspruchung (1986)

Neugebauer, J.

Implantat zur operativen Korrektur der seitlichen Wirbelsaeulenverkruemmung (1986)

Harms, J., Neugebauer, J.

Implantat zur operativen Korrektur der seitlichen Wirbelsaeulenverkruemmung (Skoliose) in Gestalt eines im Bereich der konkaven Seite der skoliotischen Wirbelsaeule zu positionierenden, auf Druck...

Einrichtung zur Pruefung der Belastbarkeit von ebenen Proben (1985)

Neugebauer, J.

Einrichtung zum Pruefen der Belastbarkeit von ebenen Proben, insbesondere von Blechen, auf Zug und Druck, bei der ueber die vier Enden der kreuzfoermig geschnittenen Probe (19) zwei zueinander...

Zur Ermittlung zulaessiger Stutzenlasten von Chemie-Normpumpen unter Beruecksichtigung massgeblicher Grenzzustaende: Sonderdruck aus: Konstruktion 35(1983)Nr.12, S.481-486. (1984)

Neugebauer, J.

Implantat zur Skoliosebehandlung (1983)

Neugebauer, J.

Zur Ermittlung zulaessiger Stutzenlasten von Chemie- Normpumpen unter Beruecksichtigung massgeblicher Grenzzustaende (1983)

Neugebauer, J.

Durch die Betriebsfestigkeit bedingte Moeglichkeiten und Grenzen des Einsatzes eines modernen Werkzeugkorrektursystems (1983)

Neugebauer, J., Eysel, D.

Vergleichende Festigkeitsuntersuchungen an Wirbelsaeulenimplantaten: Sonderdruck aus Messtechnische Briefe 17,1981,Nr.3, S.74-82. (1982)

Neugebauer, J.

Zur Problematik von Implantaten und ihrer Qualitaetssicherung (1982)

Neugebauer, J.

Erfassung massgebender Belastungsgroessen von Skibindungen: Fortdruck aus VDI-Bericht Nr.399,1981, S.153-162. (1982)

Neugebauer, J.

A discussion of buinding release in the longitudinal direction (1982)

Neugebauer, J., Hauser, W., Karlsson, J., Magi, M.

Vergleichende Festigkeitsuntersuchungen an Wirbelsaeulenimplantaten (1981)

Neugebauer, J.

Erfassung massgebender Belastungsgroessen von Skibindungen (1981)

Neugebauer, J.

Zum Ausloeseverhalten unterschiedlicher Skibindungssysteme bei Sturzvorgaengen (1981)

Neugebauer, J.

Festigkeitsverhalten von Sphaeroguss bei kombinierter statischer und dynamischer mehrachsiger Beanspruchung (1979)

Grubisic, V., Neugebauer, J.

Um das Festigkeitsverhalten von Sphaeroguss unter mehrachsiger Beanspruchung zu erfassen, wurden die Schwingfestigkeitsversuche unter kombinierter phasengleicher und phasenverschobener Zug/Druck- und...

Probing of bulk band edges by STM: An ab initio analysis

Dick, A., Neugebauer, J.

Temperature-dependent ab initio investigation of the martensitic phase transition in magnetic SMAs

Hickel, T., Neugebauer, J.

Determination of Thermodynamic Quantities from Ab Initio Methods

Hickel, T., Grabowski, B., Neugebauer, J.

Temperature dependent properties of Ni-rich Ni2MnGa

Hickel, T., Grabowski, B., Neumann, K., Ziebeck, K. R. A., Neugebauer, J.

A DFT-GGA based thermodynamic analysis of the secondary structure of proteins.

Ismer, L., Ireta, J., Neugebauer, J., Scheffler, M.

Thermodynamic stability of the secondary structure of proteins: A DFT-GGA based vibrational analysis.

Ismer, L., Ireta, J., Neugebauer, J.

Thermodynamic stability of the secondary structure of proteins: A DFT-GGA based vibrational analysis.

Ismer, L., Ireta, J., Neugebauer, J.

Formation of steps and vicinal surfaces on GaN (0001) surfaces: Implications on surface morphologies and surface roughening

Lymperakis, L., Neugebauer, J.

The role of strain fields, core structure, and native defects on the electrical activity of dislocations in GaN

Lymperakis, L., Neugebauer, J.

Electronic properties of non-stoichiometric dislocation cores in GaN

Lymperakis, L., Neugebauer, J.

Ab-initio based multiscale calculations of low-angle grain boundaries in Aluminium

Lymperakis, L., Neugebauer, J.

Ab initio Multiskalensimulationen zum Wachstum und zur Defektstruktur von Gruppe-III-Nitriden

Neugebauer, J.

Ab initio Multiskalensimulationen zu Defekten und zum Wachstum von breitlückigen Halbleitern

Neugebauer, J.

Computergestütztes Materialdesign mittels ab initio Multiskalenmethoden

Neugebauer, J.

Ab initio Simulations of Solid State Processes

Neugebauer, J.

Ab initio based multiscale modeling of dislocations in GaN

Neugebauer, J.

Surface Physics of Group III-Nitride Semicondutors

Neugebauer, J.

Ab initio Thermodynamics: Concepts and Application on Bulk Properties and Epitaxial Growth

Neugebauer, J.

Multiscale Simulation of Crystal Growth Processes

Neugebauer, J.

Generalized Wannier functions: An accurate and efficient way to construct ab-initio tight-binding orbitals.

Wahn, M., Neugebauer, J.

Generalized Wannier Functions: an efficient way to construct ab-initio tight-binding orbitals for group-III nitrides

Wahn, M., Neugebauer, J.

The Bandgaps of GaN and InN in Zinc-blende and Wurtzite Phase: DFT Calculations Using the Exact Exchange (EXX) Functional.

Wahn, M., Neugebauer, J.

Enhancing bulk solubility by surface engineering: An ab initio study

Abu-Farsakh, H., Neugebauer, J.

Incorporation of N at GaAs and InAs surfaces

Abu-Farsakh, H., Dick, A., Neugebauer, J.

Incorporation of N at GaAs and InAs surfaces: an ab-initio study

Abu-Farsakh, H., Neugebauer, J.

Enhancing the solubility of N in GaAs and InAs by surface kinetics

Abu-Farsakh, H., Neugebauer, J.

Tailoring the N-solubility in InGaAs-alloys by surface engineering: Applications and limits

Abu-Farsakh, H., Neugebauer, J.

Surface magnetism at the atomic scale: an ab initio analysis of spin-polarized scanning tunneling microscopy

Dick, A., Yang, R., Smith, A. R., Neugebauer, J.

Novel techniques to study the bulk electronic structure of metals: an ab initio based analysis of scanning tunneling microscopy

Dick, A., Pascual, N., Horn, K., Neugebauer, J.

Probing of bulk band edges by STM: An ab initio analysis

Dick, A., Neugebauer, J.

Ab-Initio Analysis of SP-STM of Mn3N2 (010) Surfaces

Dick, A., Yang, R., Yang, H., Smith, A. R., Neugebauer, J.

Ab-Initio Analysis of SP-STM of Mn3N2 (010) Surfaces

Dick, A., Yang, R., Yang, H., Smith, A. R., Neugebauer, J.

Anomalous equilibrium volume change of magnetic Fe-Al crystals

Friák, M., Neugebauer, J.

Anomalous equilibrium volume change of magnetic Fe-Al crystals

Friák, M., Neugebauer, J.

Anomalous equilibrium volume change of magnetic Fe-Al crystals

Friák, M., Neugebauer, J.

Anomalous equilibrium volume change of magnetic Fe-Al crystals

Friák, M., Neugebauer, J.

Anomalous equilibrium volume change of magnetic Fe-Al crystals

Friák, M., Neugebauer, J.

Anomalous equilibrium volume change of magnetic Fe-Al crystals

Friák, M., Neugebauer, J.

Ab initio study of human-bone-matched titanium alloys

Friák, M., Neugebauer, J.

Ab initio study of human-bone-matched titanium alloys

Friák, M., Neugebauer, J.

Anomalous equilibrium volume change of magnetic Fe-Al crystals

Friák, M., Neugebauer, J.

Ab initio study of chemical and structural trends of Ti-based binary alloys

Friák, M., Neugebauer, J., Sander, B., Raabe, D.

Ab initio study of chemical and structural trends of Ti-based binary alloys

Friák, M., Neugebauer, J., Sander, B., Raabe, D.

Bottom up design of novel Titanium-based biomaterials through the combination of ab-initio simulations and experimental methods

Raabe, D., Sander, B., Friák, M., Neugebauer, J.

Bottom up design of novel Titanium-based biomaterials through the combination of ab-initio simulations and experimental methods

Raabe, D., Sander, B., Friák, M., Neugebauer, J.

Temperature dependent properites of Shape-memory alloys

Hickel, T., Grabowski, B., Neugebauer, J.

Temperature dependent properties of the Heusler alloy Ni2+xMn1-xGa

Hickel, T., Grabowski, B., Neugebauer, J., Neumann, B., Ziebeck, K. R. A.

Temperature and magnetic field dependent properites of Ni2MnGa

Hickel, T., Grabowski, B., Neugebauer, J.

Ferromagnetic shape memory alloys: Thermodynamic and magnetic properites

Hickel, T., Grabowski, B., Neugebauer, J.

Temperature and magnetic field dependent properites of Ni2MnGa

Hickel, T., Grabowski, B., Neugebauer, J.

Ab initio Simulation von Grenzflächen

Hickel, T., Neugebauer, J.

Wasserstoffversprödung – Mechanismen verstehen und verhindern

Hickel, T., Stratmann, M., Neugebauer, J.

Wasserstoffversprödung – Mechanismen verstehen und verhindern

Hickel, T., Stratmann, M., Neugebauer, J.

Temperature dependent properites of Ni2MnGa – An ab initio approach -

Hickel, T., Grabowski, B., Neugebauer, J.

Ab initio Thermodynamik und Kinetik

Hickel, T., Neugebauer, J.

Ab initio description of grain boundaries and diffusion processes

Hickel, T., Neugebauer, J.

Variation of empirical potentials using ab initio methods

Hickel, T., Neugebauer, J.

Employing DFT and periodic boundary conditions to study the thermodynamic stability of the secondary structure of proteins

Ismer, L., Ireta, J., Neugebauer, J.

On the balance of enthaplic and entropic contributions to the stability of the helix

Ismer, L., Ireta, J., Neugebauer, J.

Vibrational modes and thermodynamic properties of the secondary structure of proteins

Ismer, L., Ireta, J., Neugebauer, J.

Ab-initio based multiscale calculations of low-angle grain boundaries in Aluminum

Lymperakis, L., Neugebauer, J.

Kinetically stabilized ordering in AlGaN alloys

Lymperakis, L., Neugebauer, J.

Ab-initio based multiscale calculations of grain boundaries in Aluminium

Lymperakis, L., Neugebauer, J.

Exploring the 5D configurational space of grain boundaries in aluminun: an ab-initio based multiscale analysis

Lymperakis, L., Neugebauer, J.

Ab initio modellation of crystal growth

Neugebauer, J.

Exact exchange within Kohn-Sham formalism. Standard and variational approach.

Neugebauer, J., Wahn, M.

Bottom up Design of Novel Titanium-based Biomaterials Through the Combination of ab-initio Simulations and Experimental Methods

Sander, B., Raabe, D., Friak, M., Neugebauer, J.

1) Design of new Ti-based biomaterials by using ab-initio simulations, FEM, and experiments 2) Detailed analysis of an indent

Sander, B., Ma, D., Friak, M., Roters, F., Zaafarani, N., Zaefferer, S., ...

Motivation Theoretical methods Experimental methods Results Conclusions

Residual Stresses in the Exoskeleton of a Homarus americanus Lobster

Pinto, H., Petrov, M., Friak, M., Lymperakis, L., Fabritius, H., Neugebauer, J., ...

Eigenspannungen am Hummerexoskelett

Pinto, H., Petrov, M., Friak, M., Lymperakis, L., Fabritius, H., Neugebauer, J., ...

Eigenspannungen am Hummerexoskelett 2007-11-06 - 2007-11-07

H. Pinto, M. Petrov, M. Friak, L. Lymperakis, ...

Conference presentation

Residual Stresses in the Exoskeleton of a Homarus Americanus Lobster 2007-09-24 - 2007-09-26

H. Pinto, M. Petrov, M. Friak, L. Lymperakis, ...

Conference presentation

Texture Evolution during Casting and Hot Rolling of a β-Ti-Nb alloy

Sander, B., Ma, D., Friak, M., Neugebauer, J., Raabe, D.

Texture Evolution during Casting and Hot Rolling of a b-Ti-Nb alloy

Sander, B., Ma, D., Friák, M., Neugebauer, J., Raabe, D.

Modeling Rolling Textures of Beta Ti Alloys Using Constitutive Data From Ab-initio Simulations

Ma, D., Raabe, D., Roters, F., Friak, M., Neugebauer, J.

Using ab initio Simulations in Texture Research

Ma, D., Counts, A., Roters, F., Friak, M., Neugebauer, J., Raabe, D.

Texture Evolution during Casting and Hot Rolling of a β-Ti-Nb alloy

Sander, B., Ma, D., Friak, M., Neugebauer, J., Raabe, D.

Principles to design and simulate hierarchical materials with property-relevant structural features

Raabe, D., Sachs, C., Fabritius, H., Friak, M., Petrov, M., Nikolov, S., ...

Principles to design and simulate hierarchical materials with property-relevant structural features

Raabe, D., Sachs, C., Fabritius, H., Friak, M., Petrov, M., Nikolov, S., ...

Texture Evolution during Casting and Hot Rolling of a β-Ti-Nb alloy

Sander, B., Ma, D., Friak, M., Neugebauer, J., Raabe, D.

Ab initio investigation of temperature dependent effects in magnetic shape memory alloys

Uijttewaal, M., Hickel, T., Neugebauer, J.

Phase transformations of Ni2MnGa shape memory alloy from first principles: The martensitic transition & magnetism, The pre-martensitic transition & soft modes, Off-stoichiometry & the stability of the phases

Uijttewaal, M., Hickel, T., Neugebauer, J.

Phase transformations of Ni2MnGa shape memory alloy from first principles

Uijttewaal, M., Hickel, T., Neugebauer, J.

Phase transformations of Ni2MnGa shape memory alloy from first principles: The (pre-)martensitic transition by phonons and magnons, Soft mode phase transformation by phonon couplings

Uijttewaal, M., Hickel, T., Neugebauer, J.

Theory-guided Design of Ti-binaries for Biomedical Applications

Friák, M., Sander, B., Ma, D., Raabe, D., Neugebauer, J.

Ab initio study on elastic properties of Fe3Al-based alloys

Friák, M., Neugebauer, J.

First Principles Study of Fe-C interstitial solid solutions

Udyansky, A., Friák, M., Grabowski, B., Hickel, T., Neugebauer, J.

Atomistic modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution

Udyansky, A., Von Pezold, J., Friák, M., Neugebauer, J.

Atomistic modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution

Udyansky, A., Von Pezold, J., Friák, M., Neugebauer, J.

The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions

Körmann, F., Dick, A., Grabowski, B., Hickel, T., Neugebauer, J.

The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions

Körmann, F., Dick, A., Grabowski, B., Hickel, T., Neugebauer, J.

Importance of magnetism for the thermodynamics of bcc iron: an ab initio study

Körmann, F., Dick, A., Grabowski, B., Hickel, T., Neugebauer, J.

Ab initio up to the melting point: An efficient thermodynamic integration scheme

Grabowski, B., Ismer, L., Hickel, T., Neugebauer, J.

Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity

Grabowski, B., Ismer, L., Hickel, T., Neugebauer, J.

Optical properties of semiconductor nanostructures, a PW-approach to real-space properties

Marquardt, O., Hickel, T., Neugebauer, J.

Effect of strain and polarization on the electronic properties of 2-, 1- and 0-dimensional semiconductor nanostructures

Marquardt, O., Hickel, T., Neugebauer, J.

Optical properties of semiconductor nanostructures including strain and piezoelectric effects

Marquardt, O., Hickel, T., Neugebauer, J.

Neues Licht aus künstlichen Atomen - Halbleiterquantenpunkte

Marquardt, O., Hickel, T., Neugebauer, J.

Solubility and surface kinetics of N in diluted nitrides

Abu-Farsakh, H., Neugebauer, J.

First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys

Hickel, T., Uijttewaal, M., Grabowski, B., Neugebauer, J.

First principles determination of phase transitions: The (pre)martensitic transition in Ni2MnGa

Hickel, T., Uijttewaal, M., Grabowski, B., Neugebauer, J.

Ab initio Investigations of Temperature Dependent Effects in MSM Alloys

Hickel, T., Uijttewaal, M., Neugebauer, J.

First principles determination of phase transitions in magnetic shape memory alloys

Hickel, T., Uijttewaal, M., Grabowski, B., Neugebauer, J.

First principles determination of thermodynamic properties of metals

Hickel, T., Grabowski, B., Körmann, F., Uijttewaal, M., Dick, A., Neugebauer, J.

Effect of interstitial carbon on the magnetic structure of fcc iron: Towards an ab-initio simulation of austenitic steels

Ismer, L., Friák, M., Hickel, T., Neugebauer, J.

First principles calculation of stacking fault energies of FeMn-alloys

Dick, A., Hickel, T., Neugebauer, J.

First Principles Calculation of Stacking Fault Energies of FeMn-Alloys

Dick, A., Hickel, T., Neugebauer, J.

First Principles Predictions of Mechanical Properties of FeMn-Alloys

Dick, A., Hickel, T., Neugebauer, J.

Atomistic modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution

Udyansky, A., Von Pezold, J., Friák, M., Neugebauer, J.

First principles study of vibrational and thermodynamic properties of the secondary structure of proteins

Ismer, L., Ireta, J., Neugebauer, J.

First principles study of Hydrogen in Mn-rich austenitic steels

Ismer, L., Hickel, T., Neugebauer, J.

First Principles Predictions of Mechanical Properties of FeMn-Alloys

Dick, A., Hickel, T., Neugebauer, J.

Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces

Dick, A., Neugebauer, J.

Band dispersion effects in supercell calculations for defects

Lange, B., Freysoldt, C., Neugebauer, J.

Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys

Counts, W. A., Friak, M., Raabe, D., Neugebauer, J.

Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys

Counts, W. A., Friak, M., Raabe, D., Neugebauer, J.

Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys

Counts, W. A., Friak, M., Raabe, D., Neugebauer, J.

Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys

Counts, W. A., Friak, M., Raabe, D., Neugebauer, J.

Numerical studies of the radial Schroedinger equation

Pfanner, G., Freysoldt, C., Neugebauer, J.

Towards an ab initio description of corrosion

Todorova, M., Neugebauer, J.

Towards an ab initio description of corrosion

Todorova, M., Neugebauer, J.

Modeling of electronic and optical properties of GaN/AlN quantum dots by using the k.p-method

Marquardt, O., Hickel, T., Neugebauer, J.

Ab-initio based calculation of GaN surfaces, interfaces, and extended defects

Lymperakis, L., Neugebauer, J.

Growth simulations of non-polar GaN surfaces: Thermodynamics, kinetics and dopant incorporations

Lymperakis, L., Neugebauer, J.

Ab initio study of Thermodynamics and adatom kinetics on non-polar GaN surfaces: Consequences on the growth morphology and the formation of nanowires

Lymperakis, L., Neugebauer, J.

Ab-initio based growth simulations of GaN based nanowires

Lymperakis, L., Neugebauer, J.

Thermodynamics and adatom kinetic on non-polar GaN surfaces: origin of a strong growth anisotropy

Lymperakis, L., Neugebauer, J.

Grain Boundaries: Statics and Mobility

Lymperakis, L., Neugebauer, J.

Novel multi-descriptive approach to crystal plasticity of textured beta-Ti alloys

Ma, D., Friák, M., Neugebauer, J., Raabe, D.

Homogenization in Polycrystal Mechanics on the Basis of First Principles Simulations

Raabe, D., Friak, M., Neugebauer, J., Counts, A.

Ab initio based design of alloys

Ma, A., Friak, M., Neugebauer, J., Raabe, D.

Multiscale design of aluminium alloys based on ab-initio methods

Counts, A., Ma, D., Friak, M., Neugebauer, J., Raabe, D.

Modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution using embedded atom method potential

Udyansky, A., Bugaev, V., Von Pezold, J., Friák, M., Neugebauer, J.

Hierarchical Modeling of the Elastic Properties of Lobster Cuticle via Ab Initio Calculations and Mean-field Homogenization

Nikolov, S., Petrov, M., Friak, M., Raabe, D., Sachs, C., Fabritius, H., ...

Multiscale Prediction of Polycrystal Elastic Properties of Ultralight Weight Mg-Li Alloys using Ab Initio and FEM Approaches

Counts, A., Friak, M., Battaile, C., Raabe, D., Neugebauer, J.

Atomic Structure and Elastic Anisotropy of Crystalline α-chitin: An Ab-initio Based Conformational Analysis

Petrov, M., Friak, M., Lymperakis, L., Raabe, D., Neugebauer, J.

Application of Spectral Methods for Anisotropy Design of Ti-Nb Polycrystals for Biomedical Applications based on ab Initio Elastic Single Crystal Constants and Fast Fourier Homogenization

Knezevic, M., Ma, D., Raabe, D., Kalidindi, S.R., Friak, M., Neugebauer, J.

Ground-state structure and elastic anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis

Petrov, M., Friák, M., Lymperakis, L., Neugebauer, J., Raabe, D.

Ab initio study on elastic properties of Fe3Al-based alloys

Friák, M., Deges, J., Stein, F., Palm, M., Frommeyer, G., Neugebauer, J.

Modeling of the mechanical properties of lobster cuticle from ab initio to macroscale: How nature designs multifunctional composites with optimal properties

Nikolov, S., Sachs, C., Fabritius, H., Raabe, D., Petrov, M., Friák, M., ...

Extremal stiffness of crustacean cuticle through hierarchical optimization: Experiments and modeling from ab initio to macroscale

Fabritius, H., Ziegler, A., Hild, S., Nikolov, S., Petrov, M., Sachs, C., ...

Extremal stiffness of crustacean cuticle through hierarchical optimization: Experiments and modeling from ab initio to macroscale

Fabritius, H., Ziegler, A., Hild, S., Nikolov, S., Petrov, M., Sachs, C., ...

Modeling of the mechanical properties of lobster cuticle from ab initio to macroscale: How nature designs multifunctional composites with optimal properties

Nikolov, S., Sachs, C., Fabritius, H., Raabe, D., Petrov, M., Friák, M., ...

Ab inito study on elastic properties of Fe3Al-based alloys

Friak, M., Deges, J., Stein, F., Palm, M., Frommeyer, G., Neugebauer, J.

Materials design based on ab initio thermodynamics: Development of accurate and efficient multiscale strategies

Neugebauer, J.

Understanding and designing engineering materials based on ab initio thermodynamics

Neugebauer, J.

Ab-initio simulation of hydrogen in metals

Hickel, T., Neugebauer, J.

Ab initio steel design: Achievements and challenges

Hickel, T., Dick, A., Körmann, F., Grabowski, B., Neugebauer, J.

Ab initio investigation of temperature dependent effects in magnetic shape memory Heusler alloys

Hickel, T., Uijttewaal, M., Neugebauer, J.

First principles determination of structural phase transitions in smart materials

Hickel, T., Uijttewaal, M., Grabowski, B., Lencer, D., Neugebauer, J.

Multiscale Modeling of the Mechanics of Metallic and Biological Polycrystals using Ab Initio and Continuum Methods

Raabe, D., Neugebauer, J., Roters, F., Eisenlohr, P., Friák, M., Nikolov, S., ...

Modern Methods of Multiscale Modeling

Raabe, D., Friák, M., Nikolov, S., Ma, D., Roters, F., Neugebauer, J.

The role of surface kinetics in achieving high non-equilibrium N concentrations in bulk GaAs

Abu-Farsakh, H., Neugebauer, J.

Ab Initio Thermodynamics: Status, applications and challenges

Neugebauer, J.

Materials Design Based On Ab Initio Thermodynamics And Kinetics: Present Status And Perspectives

Neugebauer, J.

Computing free energy contributions of point defects

Neugebauer, J.

Materials Design based on Ab Initio Thermodynamics: Status, Perspectives, and Trends

Neugebauer, J.

Ab Initio Based Multiscale Modeling of Engineering Materials: From a Predictive Thermodynamic Description to Tailored Mechanical Properties

Neugebauer, J.

Atomistic modeling of the strain-induced interactions between C atoms in Fe-C solid solutions

Udyansky, A., Von Pezold, J., Friák, M., Neugebauer, J.

An atomistic study of low-C tetragonal Fe-C states

Udyansky, A., Von Pezold, J., Friák, M., Neugebauer, J.

The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions

Körmann, F., Dick, A., Grabowski, B., Hickel, T., Neugebauer, J.

The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions

Körmann, F., Dick, A., Grabowski, B., Hickel, T., Neugebauer, J.

Ab initio based multiscale modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties

Neugebauer, J.

Multi-Scale Computational Materials Design of Structural Materials: First-Principles Calculations

Neugebauer, J.