LS Nielaba - Statistical and
Computational Physics

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Publications

M. Pütz and P. Nielaba
Insights from inside the spinodal: Bridging thermalization time scales with smoothed particle hydrodynamics
Phys. Rev. E 94, 022616 (2016)

K. Kanthasamy, M. Ring, D. Nettelroth, C. Tegenkamp, H. Butenschön, F. Pauly, and H. Pfnür
Charge Transport through Ferrocene 1,1′-Diamine Single-Molecule Junctions

Small, doi:10.1002/smll.201601051 (2016)

M. C. Beck, A. M. Beck, R. Beck, K. Dolag, A. W. Strong, P Nielaba
New constraints on modelling the random magnetic field of the MW
JCAP, 05, 056 (2016), arXiv e-print

R. Vardimon, M. Matt, P. Nielaba, J. C. Cuevas, O. Tal
Orbital origin of the electrical conduction in ferromagnetic atomic-size contacts: Insights from shot noise measurements and theoretical simulations,
Phys. Rev. B, 93, 085439 (2016)

M. Beck, A. Haller, D. Kawetzki, M. Matt, M. Pütz, M. Ring, R. Schmid, K. Scholz, U. Siems, P. Nielaba,
Structures and Phases in (Nano-) Systems in Confined Geometry
,
in NIC Symposium 2016,
edited by K. Binder, M. Kremer, A. Schnurpfeil, Forschungszentrum Jülich GmbH (2016) p. 229
ISBN: 978-3-95806-109-5

A. M. Beck, G. Murante, A. Arth, R.-S. Remus, A. F. Teklu, J. M. Donnert, S. Planelles, M. C. Beck, P. Förster, M. Imgrund, K. Dolag, S. Borgani
An improved SPH scheme for cosmological simulations
MNRAS, 455, 2110 (2016)

K. Dolag, B. M. Gaensler, A. M. Beck and M. C. Beck
Constraints on the distribution and energetics of fast radio bursts using cosmological hydrodynamic simulations
MNRAS, 451, 4277 (2015)

B. Heinze, U. Siems, and P. Nielaba
Segregation of oppositely driven colloidal particles in hard-walled channels: A finite-size study
Phys. Rev. E, 92, 012323 (2015)

U. Siems and P. Nielaba,
Transport and diffusion properties of interacting colloidal particles in two-dimensional microchannels with a periodic potential, 
Phys. Rev. E, 91, 022313 (2015)

M. Pütz and P. Nielaba,
Effects of temperature on spinodal decomposition and domain growth of liquid-vapor systems with smoothed particle hydrodynamics,
Phys. Rev. E, 91, 032303 (2015)

C. Evangeli, M. Matt, L. Rincon-Garcia, F. Pauly, P. Nielaba, G. Rubio-Bollinger, J. C. Cuevas and N. Agraït
Quantum thermopower of metallic atomic-size contacts at room temperature,
Nano Lett., 15, 1006 (2015)

R. Chen, M. Matt, F. Pauly, P. Nielaba, J. C. Cuevas and D. Natelson,
Shot noise variation within ensembles of gold atomic break junctions at room temperature,
J. Phys. Condens. Matter, 26, 474204 (2014)

H. Löwen, A. van Blaaderen, J. K. G. Dhont, P. Nielaba and T. Palberg, 
Editorial for the special issue on: Colloidal Dispersions in External Fields,
Eur. Phys. J. Special Topics 222, 2723-2725 (2013)

S. Deutschländer, K. Franzrahe, B. Heinze, P. Henseler, P. Keim, N. Schwierz, U. Siems, P. Virnau, D. Wilms, K. Binder, G. Maret and P. Nielaba,
Effects of boundaries on structure formation in low-dimensional colloid model systems near the liquid-solid-transition in equilibrium and in external fields and under shear,
Eur. Phys. J. Special Topics, 222, 2973 (2013)

C. Kreuter, U. Siems, P. Nielaba, P. Leiderer and A. Erbe,
Transport phenomena and dynamics of externally and self-propelled colloids in confined geometry,
Eur. Phys. J. Special Topics, 222, 2923 (2013)

C. Schirm, M. Matt, F. Pauly, J. C. Cuevas, P. Nielaba and E. Scheer,
A current-driven single-atom memory
,
Nature Nanotechnology 8, 645–648 (2013)

D. Mutter and P. Nielaba,
Simulation of the shape memory effect in a NiTi nano model system,
J. Alloys Compd. 577S, S83, (2013), doi: 10.1016/j.jallcom.2012.01.095.

U. Siems, C. Kreuter, A. Erbe, N. Schwierz, S. Sengupta, P. Leiderer, and P. Nielaba,
Non-monotonic crossover from single-file to regular diffusion in micro-channels
Sci. Rep. 2 1015 (2012)

C. Kreuter, U. Siems, P. Henseler, P. Nielaba, P. Leiderer, and A. Erbe
Stochastic transport of particles across single barriers Special issue on colloidal dispersions in external fields
J. Phys. Condens. Matter 24 464120 (2012)

D. Wilms, S. Deutschländer, U. Siems, K. Franzrahe, P. Henseler, P. Keim, N. Schwierz, P. Virnau, K. Binder, G. Maret, and P. Nielaba
Effects of confinement and external fields on structure and transport in colloidal dispersions in reduced dimensionality
J. Phys. Condens. Matter 24 464119 (2012) 

A. Geng, A.M. Beck, K. Dolag, F. Bürzle, M.C. Beck, H. Kotarba, and P. Nielaba,
Synthetic X-ray and radio maps for two different models of Stephan's Quintet,
MNRAS 426, 3160 (2012).

A. Beck, H. Lesch, K. Dolag, H. Kotarba. A. Geng, and F. Stasyszyn,
Origin of strong magnetic fields in Milky Way-like galactic haloes,
MNRAS 422, 2152 (2012)

J. Neder, P. Nielaba, B. West, and F. Schmid,
Interactions of membranes with coarse-grain proteins: a comparison
New J. Phys. 14 125017 (2012)

A. Geng, H. Kotarba, F. Bürzle, K. Dolag, F. Stasyszyn, A. Beck, and P. Nielaba,
Magnetic field amplification and X-ray emission in galaxy minor mergers,
MNRAS 419, 3571 (2012).

D. Mutter and P. Nielaba,
Simulation of the thermally induced austenitic phase transition in NiTi nanoparticles,
Eur. Phys. J. B 84, 109 (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).

F. Bürzle, P.C. Clark, F. Stasyszyn, K. Dolag, and R.S. Klessen,
Protostellar outflows with smoothed particle magnetohydrodynamics,
MNRAS 417, L61 (2011).

J. Neder, B. West, P. Nielaba, and F. Schmid,
Membrane-mediated Protein-protein Interaction: A Monte Carlo Study,
Current Nanoscience, Volume 7, Number 5, pp. 656-666 (2011).

D. Hinzke and U. Nowak,
Domain wall motion by the magnonic spin Seebeck effect,
Phys. Rev. Lett. 107, 027205 (2011).

F. Bürzle, P.C. Clark, F. Stasyszyn, T. Greif, K. Dolag, R.S. Klessen, and P. Nielaba,
Protostellar collapse and fragmentation using an MHD Gadget,
MNRAS 412, 171 (2011).

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).

K. Franzrahe, P. Nielaba, and S. Sengupta,
Coarse-graining microscopic strains in a harmonic, two-dimensional solid: Elasticity, nonlocal susceptibilities, and nonaffine noise,
Phys. Rev. E 82, 016112 (2010).

C. Bunce, J. Wu, G. Ju, B. Lu, D. Hinzke, N. Kazantseva, U. Nowak, and R. W. Chantrell,
Laser induced magnetization switching in films with perpendicular anisotropy: a comparison between measurements and a multi-macrospin modes,
Phys. Rev. B. 81, 174428 (2010).

S. Egle, C. Bacca, H.-F. Pernau, M. Hüfner, D.Hinzke, U.Nowak, E. Scheer,
Magneto-resistance of atomic-size contacts,
Phys. Rev. B. 81, 134402 (2010).

P. Henseler, A. Erbe, M. Köppl, P. Leiderer, and P. Nielaba,
Density reduction and diffusion in driven two-dimensional colloidal systems through microchannels,
Phys. Rev. E 81, 041402 (2010).

J. Neder, B. West, P. Nielaba, and F. Schmid,
Coarse-grained simulations of membranes under tension,
J. Chem. Phys. 132, 115101 (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) p. 21.

C. Schieback, D. Hinzke, M. Kläui, U. Nowak, and P. Nielaba,
Temperature dependence of the current-induced domain wall motion from a modified Landau-Lifshitz-Bloch equation,
Phys. Rev. B 80, 214403 (2009).

K. Vahaplar, A. M. Kalashnikova, A. V. Kimel, D. Hinzke, U. Nowak, R. W. Chantrell, A. Tsukamoto, A. Itoh, A. Kirilyuk, and T. Rasing,
Ultrafast Path for Magnetization Reversal via a Strongly Non-equilibrium State,
Phys. Rev. Lett. 103, 117201 (2009).

C. Schieback, F. Bürzle, K. Franzrahe, J. Neder, M. Dreher, P. Henseler, D. Mutter, N. Schwierz, P. Nielaba,
Computer Simulations of Complex Many-Body Systems,
in High Performance Computing in Science and Engineering 08,
edited by E.Nagel, W. Jäger, M.Resch, Springer Berlin (2009) p. 41.

K. Franzrahe and P. Nielaba,
Controlled structuring of binary hard-disk mixtures via a periodic, external potential,
Phys. Rev. E, 79, 051505 (2009).

N. Kazantseva, D. Hinzke, R. W. Chantrell, and U. Nowak,
Linear and elliptical magnetization reversal close to the Curie temperature,
Europhys. Lett. 86, 27006 (2009).

A. Ricci, P. Nielaba, S. Sengupta, K. Binder,
Computer Simulation of Models for Confined Two-Dimensional Colloidal Crystals: Evidence for the Lack of Positional Long Range Order,
in Computer Simulation Studies in Condensed Matter Physics XIX (D.P. Landau, S.P. Lewis, and H.B.
Schüttler, eds.) Springer, Berlin (2008).

P. Nielaba, W. Strepp,
Phase transitions and quantum effects in model colloids and nanostructures ,
in: Path Integrals - New Trends and Perspectives, (W. Janke, A. Pelster, eds.), World Scientific, Singapore (2008), pp. 321.

K. Franzrahe, P. Nielaba, A. Ricci, K. Binder, S. Sengupta, P. Keim, G. Maret,
Field induced ordering phenomena and non-local elastic compliance in two dimensional colloidal crystals,
J. Phys.: Condens. Matter, 20, 40, 404218, (2008).

K. Franzrahe, P. Keim, G. Maret, P. Nielaba and S. Sengupta,
Non-local elastic compliance for soft solids: Theory, simulations and experiments,
Phys. Rev. E, 78, 026106 (2008).

M. Häfner, J.K. Viljas, D. Frustaglia, F. Pauly, M. Dreher, P. Nielaba, J.C.Cuevas,
Theoretical study of the conductance of ferromagnetic atomic-sized contacts,
Phys. Rev. B, 77, 104409 (2008).

K. Franzrahe, J. Neder, M. Dreher, P. Henseler, W. Quester, C. Schieback, F. Bürzle, D. Mutter, M. Schach, T. Sorg, P. Nielaba,
Computer Simulations of Soft Matter- and Nano- Systems,
in High Performance Computing in Science and Engineering 07,
edited by E.Nagel, W. Jäger, M.Resch, Springer Berlin (2008) p. 83.

K. Franzrahe and P. Nielaba,
Entropy versus energy: The phase behavior of a hard-disk mixture in a periodic external potential,
Phys. Rev. E 76, 061503 (2007).

F. Bürzle and P. Nielaba,
Phase transitions in two-dimensional model colloids in a one-dimensional external potential,
Phys. Rev. E 76, 051112 (2007).

F. v. Gynz-Rekowski, W. Quester, R. Dietsche, Dong Chan Lim, N. Bertram, T. Fischer, G. Ganteför, M. Schach, P. Nielaba, and Young Dok Kim,
Experimental and theoretical studies of materials consisting of magic Si7 clusters,
Eur. Phys. J. D 45, 409-413 (2007).

C. Schieback, M. Kläui, U. Nowak, U. Rüdiger, und P. Nielaba,
Numerical investigation of spin-torque using the Heisenberg model,
Eur. Phys. J. B 59, 429-433 (2007).

D. Backes, C. Schieback, M. Kläui, F. Junginger, H. Ehrke, P. Nielaba, U. Rüdiger, L. J. Heyderman, C. S. Chen, T. Kasama, R. E. Dunin-Borkowski, C. A. F. Vaz and J. A. C. Bland,
Transverse domain walls in nanoconstrictions,
Appl. Phys. Lett. 91, 112502 (2007).
See also: Virtual Journal of Nanoscale Science & Technology 16 (2007).

A. Ricci, P. Nielaba, S. Sengupta, K. Binder,
Ordering of two-dimensional crystals confined in strips of finite widths,
Phys. Rev. E75, 011405 (2007).

P. Henseler, C. Schieback, K. Franzrahe, F. Bürzle, M. Dreher, J. Neder, W. Quester, M. Kläui, U. Rüdiger, P. Nielaba,
Nano-Systems in External Fields and Reduced Geometry: Numerical Investigations,
in High Performance Computing in Science and Engineering 06,
edited by E.Nagel, W. Jäger, M.Resch, Springer Berlin (2007) pp.97.

P. Nielaba, S. Sengupta, W. Strepp,
Phase Transitions of Model Colloids n External Fields,
in Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology,
edited by M. Ferrario, G. Ciccotti, K.Binder, Springer, Berlin (2006) pp.163.

M. Köppl, P. Henseler, A. Erbe, P. Nielaba, P. Leiderer,
Layer reduction in driven 2D-colloidal systems through microchannels,
Phys. Rev. Lett. 97, 208302 (2006).

A. Ricci, P. Nielaba, S. Sengupta, K. Binder,
Lack of long-range order in confined two-dimensional model colloidal crystals,
Phys. Rev. E97, 010404(R) (2006).

W. Quester, S.H.L. Klapp, M. Dreher, P. Henseler, C. Kircher, K. Franzrahe, P. Nielaba,
Numerical Investigations of Nano-Systems in reduced Geometry,
in High Performence Computing in Science and Engineering 05,
edited by E. Nagel, W. Jäger, M. Resch, Springer Berlin (2006) pp.85.

F. Pauly, M. Dreher, J.K. Viljas, M. Häfner, J.C. Cuevas, P. Nielaba,
Theoretical analysis of the conductance histograms and structural properties of Ag, Pt, and Ni nanocontacts,
Phys. Rev. B74, 235106 (2006).

M. Dreher, D. Fischer, K. Franzrahe, P. Henseler, Chr. Kirchner, M. Lohrer, W. Quester, A. Ricci, S. Sengupta, W. Strepp, K. Binder, P. Nielaba,
Numerical Investigations of Complex Nano-Systems,
Phase Trans. 78, 751 (2005).

M. Dreher, F. Pauly, J. Heurich, J.C. Cuevas, E. Scheer, P. Nielaba,
Structure and conductance histogram of atomic-sized Au contacts,
Phys. Rev. B72, 075435 (2005).

M. Dreher, K. Franzrahe, P. Henseler, W. Strepp, P. Nielaba,
Numerical Studies of Model Colloids and Nano-Wires,
in High Performence Computing in Science and Engineering 04,
edited by E. Krause, W. Jäger, M. Resch, Springer Berlin (2005) pp.83.

K. Franzrahe, P. Henseler,A. Ricci, W. Strepp, S. Sengupta, M. Dreher, Chr. Kirchner, M. Loherer, W. Quester, K. Binder, P. Nielaba,
Two-dimensional model collloids and nano-wires: phase transitions, effects of external potentials and quantum effects,
Comp. Phys. Commun. 169, 197 (2005).

P. Nielaba, K. Binder, D. Chaudhuri, K. Franzrahe, P. Henseler, M. Lohrerer, A. Ricci, S. Sengupta, W. Strepp,
Elastic properties, structures and phase transitions in model colloids,
J. Phys. Cond. Mat. 16, S4115 (2004).

S. Haase, H.L. Frisch, P. Nielaba,
Quantum corrections for the liquid-gas transition of Lennard-Jones particles in two dimensions,
Phys. Rev. E69, 012501 (2004).

M. Dreher, D. Fischer, K. Franzrahe, G. Günther, P. Henseler, J. Hoffmann, W. Strepp, P. Nielaba,
Numerical Investigations of Complex Nano-Systems,
in NIC Symposium 2004,
edited by D. Wolf, G. Münster and M. Kremer, NIC, FZ Jülich (2004) pp.291.

M. Dreher, D. Fischer, K. Franzrahe, G. Günther, P. Henseler, J. Hoffmann, W. Strepp, P. Nielaba,
Numerical studies of collective effects in nano-systems,
in: High Performance Computing in Science and Engineering 03,
edited by E. Krause, W. Jäger, M. Resch, Springer Berlin (2003) pp. 193.

K. Zahn, A. Wille, G. Maret, S. Sengupta, P. Nielaba,
Elastic properties of 2D colloidal crystals from video microscopy,
Phys. Rev. Lett 90, 155506 (2003).

J. Hoffmann, P. Nielaba,
Phase transitions and quantum effects in pore condensates: A path integral Monte Carlo study,
Phys. Rev. E67, 036115 (2003).

M. Dreher, D. Fischer, K. Franzrahe, P. Henseler, J. Hoffmann, W. Strepp, P. Nielaba,
Phase transitions, structures and quantum effects in nanosystems,
in: High Performance Computing in Science and Engineering 02,
edited by E. Krause, W. Jäger, Springer Berlin (2003) pp.168.

W. Strepp, S. Sengupta, M. Lohrer, P. Nielaba,
Phase transitions in model colloids in reduced geometry,
Mathematics and Computers in Simulation 62, 519 (2003).

J. Hoffmann, P. Nielaba,
Phase transitions and quantum effects in pore condensates,
in Computer Simulation Studies in Condensed Matter Physics XV,
edited by D. P. Landau, S.P. Lewis, H.-B. Schüttler, Springer, Berlin (2003).

M. Grass, D. Fischer, M. Mathes, G. Ganteför, P. Nielaba,
A form of bulk silicon consisting of "magic" clusters,
Appl. Phys. Lett. 81, 3810 (2002).

W. Strepp, S. Sengupta, M. Lohrer, P. Nielaba,
Phase transitions of hard- and soft disks in external periodic potentials: Am Monte Carlo study,
Comp. Phys. Commun. 147, 370 (2002).

Bridging Time Scales: Molecular Simulations for the Next Decade,
edited by P. Nielaba, M. Mareschal, G. Ciccotti, Springer Berlin (2002).

K. Binder, S. Sengupta, P. Nielaba,
The liquid solid transition of hard disks: First order or KTHNY-scenario?,
J. Phys. Condensed Matter. 14, 2323 (2002).

J. Hoffmann, P. Nielaba,
Phase transitions and quantum effects in systems with reduced geometry,
in: High Performance Computing in Science and Engineering '01,
edited by E. Krause,and W. Jäger, Springer Verlag, Berlin (2002). pp92.

W. Strepp, S. Sengupta, P. Nielaba,
Phase transitions of soft disks in external periodic potentials: A Monte Carlo study,
Phys. Rev E66, 056109 (2002).

Chr. Rickwardt, P. Nielaba, M.H. Müser,
Path intergal Monte Carlo simulations of silicates,
Phys. Rev. B63, 045204 (2001).

W. Strepp, S. Sengupta, P. Nielaba,
Phase transitions in hard disks in external periodic potentials: A Monte Carlo study,
Phys. Rev. E63, 046106 (2001).

P. Nielaba,
Quantum effects in adsorption at surfaces,
in: Computational methods in colloid and interface science,
edited by M. Borowko, Marcel Dekker, Inc., New York, pp. 77-131 (2000).

D. Fischer, P. Nielaba,
Phase diagram of a model alloy with lattice misfit,
Physica  A279, 287 (2000).

S. Sengupta, P. Nielaba, M. Rao, K. Binder,
Elastic constants from microscopic strain fluctuations,
Phys. Rev. E61, 1072 (2000).

S. Sengupta, P. Nielaba, K. Binder,
Elastic moduli, dislocation core energy and melting of hard disks in two dimensions,
Phys. Rev. E61, 6294 (2000).

S. Sengupta, P. Nielaba, K. Binder,
Defect fugacity, spin-wave stiffness and TC of the 2D planar rotor model,
Europhys. Lett. 50, 668 (2000).

P. Nielaba, P. Fratzl, J.L. Lebowitz,
Growth of ordered domains in a computer model alloy with lattice misfit,
J. Stat. Phys. 95, 23 (1999).

M. Reber, D. Löding, M.Presber, Chr. Rickwardt, P. Nielaba,
Quantum simulations in materials science: molecular monolayers and crystals,
Comp. Phys. Commun. 121-122, 524 (1999).

Chr. Rickwardt, M. Presber, D. Löding, M. Reber, P. Nielaba,
Path Integral Monte Carlo Simulations in Materials Science,
in "Path Integrals from peV to TeV" ,
edited by R. Casalbuoni, R. Giachetti, V. Tognetti, R. Vaia, P. Verrucchi, World Scientific, Singapore (1999), pp446.

M.Presber, D. Löding, R. Martonak, P. Nielaba,
Orientational phase transitions in molecular N2 solids: A path integral Monte Carlo study,
Phys. Rev. B58, 11937 (1998).

Chr. Rickwardt, P. Nielaba, K. Binder,
Path integral Monte Carlo simulation of silicon and silicates,
in Advances in Science and Technology 18, "Computational Modeling and Simulation of Materials",
edited by P. Vincenzini, A. Degli Esporti , techna, Srl, Italy (1999), pp. 411.

H.L. Frisch, S. Puri, P. Nielaba,
Enrichment of Surfaces in Contact with Stabel Binary Mixtures: The Case with Long-Ranged Surface Fields,
J. Chem. Phys. 110, 10514 (1999).

N.B. Wilding, F.Schmid, P. Nielaba,
Liquid-vapour phase behaviour of a symmetrical binary fluid mixture,
Phys. Rev. E58, 2201 (1998).

P. Nielaba,
Quantum effects and phase transitions in adsorbed molecular layers,
in Frontiers in Materials Modelling and Design,
edited by V. Kumar, S. Sengupta, B. Raj, Springer, Berlin, pp.325 (1998).

M.H.Müser, D. Löding, P. Nielaba, K. Binder,
Computer simulations of a Lennard-Jones model for Ar1-x (N2)x: Aprototype system for quadrupolar glasses,
Ferroelectrics  208-209, 293-327 (1998).

M. Reuhel, P. Nielaba, K. Binder,
Slowing down in the three-dimensional three-state Potts glass with nearest neighbor exchange ±J: A Monte Carlo study,
Eur. Phys. J. B 2, 225 (1998).



List of Publications


A list of further scientific publications can be found here.