336 citations · 2.9k across the 45 of their papers we have counts for
9 papers · 1 filter
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…
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…
Hidden scale invariance of metals
Felix Hummel, Georg Kresse, Jeppe C. Dyre +1
Density functional theory (DFT) calculations of 58 liquid elements at their triple point show that most metals exhibit near proportionality between thermal fluctuations between vir…
Computing the crystal growth rate by the interface pinning method
Ulf R. Pedersen, Felix Hummel, Christoph Dellago
An essential parameter for crystal growth is the kinetic coefficient given by the proportionality between super-cooling and average growth velocity. Here we show that this coeffici…
Isomorph invariance of classical crystals' structure and dynamics
Dan E. Albrechtsen, Andreas E. Olsen, Ulf R. Pedersen +2
This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in…
Computing Gibbs free energy differences by interface pinning
Ulf R. Pedersen, Felix Hummel, Georg Kresse +2
We propose an approach for computing the Gibbs free energy difference between phases of a material. The method is based on the determination of the average force acting on interfac…
Strong pressure-energy correlations in van der Waals liquids
Ulf R. Pedersen, Nicholas Bailey, Thomas B. Schrøder +1
Strong correlations between equilibrium fluctuations of the configurational parts of pressure and energy are found in the Lennard-Jones liquid and other simple liquids, but not in…