431 citations
- Technical University of DenmarkDK18 papers
- IMDEA Software InstituteES11 papers
- University of CopenhagenDK10 papers
- Danish National Research FoundationDK8 papers
- Centre National de la Recherche ScientifiqueFR7 papers
- University of California, BerkeleyUS7 papers
- Institut Laue-LangevinFR5 papers
- Nankai UniversityCN5 papers
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21 papers · 1 filter
Discrete Newtonian dynamics with Nosé-Hoover thermostats
Søren Toxvaerd
Almost all Molecular Dynamics (MD) simulations are discrete dynamics with Newton's algorithm first published in 1687, and much later by L. Verlet in 1967. Discrete Newtonian dynami…
Comparing zero-parameter theories for the WCA and harmonic-repulsive melting lines
Jeppe C. Dyre, Ulf R. Pedersen
The melting line of the Weeks-Chandler-Andersen (WCA) system was recently determined accurately and compared to the predictions of four analytical hard-sphere approximations [Attia…
Comparing four hard-sphere approximations for the low-temperature WCA melting line
Eman Attia, Jeppe C. Dyre, Ulf R. Pedersen
By combining interface-pinning simulations with numerical integration of the Clausius-Clapeyron equation we determine accurately the melting-line coexistence pressure and fluid/cry…
Statistics of small length scale density fluctuations in supercooled viscous liquids
Ulf R. Pedersen
Many successful theories of liquids near the melting temperature assume that small length scale density fluctuations follow Gaussian statistics. In this paper I present numerical i…
Hydrodynamic relaxations in dissipative particle dynamics
J. S. Hansen, Michael L. Greenfield, Jeppe C. Dyre
This paper studies the dynamics of relaxation phenomena in the standard dissipative particle dynamics (DPD) model [Groot and Warren, JCP, 107:4423 (1997)]. Using fluctuating hydrod…
Variation along liquid isomorphs of the driving force for crystallization
Ulf R. Pedersen, Karolina Adrjanowicz, Kristine Niss +1
We investigate the variation of the driving force for crystallization of a supercooled liquid along isomorphs, curves along which structure and dynamics are invariant. The variatio…