A06 – Structural control of nano-scale model systems
Funding period: 2008 – 2015
Principal investigator: Peter Nielaba
Scientific staff: Daniel Mutter, Manuel Matt, Kristian Scholz
In this project we will explore the effect of external driving fields and external strains on the dynamics of nanomechanical systems (bridges) by computer simulations (e.g. Molecular Dynamics) of atomistic model systems, ranging from few particles to ensembles with several thousands of particles. Furthermore, we will study the effect of external strains on the vibrational modes and dissipation of elastically hard systems, as well as the effect of defects, temperature and composition in alloys. We will also address the effect of different solid structures (crystalline, amorphous) and magnetism. By a variation of the system geometry and periodic boundary conditions we will explore the dynamics of nanostructured two-dimensional systems (membranes).
For further information please also refer to the group website: LS Nielaba
List of publications
2011
- F. Pauly, J. K. Viljas, M. Bürkle, M. Dreher, P. Nielaba, and J. C. Cuevas, Molecular dynamics study of the thermopower of Ag, Au, and Pt nanocontacts, Phys. Rev. B 84, 195420 (2011) – DOI: 10.1103/PhysRevB.84.195420
- D. Mutter and P. Nielaba, Simulation of the thermally induced austenitic phase transition in NiTi nanoparticles, Eur. Phys. J. B 84, 109 (2011) – DOI: 10.1140/epjb/e2011-20661-4
See EPJ editorial news also.
2010
- D. Mutter and P. Nielaba, Simulation of structural phase transitions in NiTi, Phys. Rev. B 82, 224201 (2010)
- N. Schwierz and P. Nielaba, Colloidal systems in three-dimensional microchannels: Lattice control via channel width and external force, Phys. Rev. E 82, 031401 (2010)
- D. Mutter, C. Schieback, J. Neder, F. Bürzle, K. Franzrahe, A. Geng, P. Nielaba, Numerical Studies of Structures and Phases in (Nano-) Systems in Reduced Geometry, in: NIC Symposium 2010, edited by G. Münster, D. Wolf, M. Kremer, Forschungszentrum Jülich GmbH (2010), pp. 21
2008
- M. Häfner, J. K. Viljas, D. Frustaglia, F. Pauly, M. Dreher, P. Nielaba, and J. C. Cuevas, Theoretical study of the conductance of ferromagnetic atomic-sized contacts, Phys. Rev. B 77, 104409 (2008)
- P. Nielaba and W. Strepp, Phase transitions and quantum effects in model colloids and nanostructures, in: Path Integrals New Trends and Perspectives, edited by W. Janke and A. Prestel, World Scientific, Singapore, pp 321 (2008)
2007
- F. von Gynz-Rekowski, W. Quester, R. Dietsche, D. C. Lim, N. Bertram, T. Fischer, G. Ganteför, M. Schach, P. Nielaba, Y. D. Kim, Experimental and theoretical studies of materials consisting of magic Si7 clusters, Eur. Phys. J. D 45, 409 (2007)
