Zobrazeno 1 - 10
of 196
pro vyhledávání: '"Pedersen, Ulf R."'
Understanding the structure and dynamics of liquids is pivotal for the study of larger spatiotemporal processes, especially in glass-forming materials at low temperatures. Density scaling, observed in many molecular systems through experiments, offer
Externí odkaz:
http://arxiv.org/abs/2402.08675
Autor:
Dyre, Jeppe C., Pedersen, Ulf R.
Publikováno v:
J. Chem. Phys. 158, 164504 (2023)
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 et al., J. Chem. Phys. 157, 034502 (2022)]. Here, we study an alterna
Externí odkaz:
http://arxiv.org/abs/2302.09379
Publikováno v:
Liquids 2, 388 (2022) [Open access]
We present a numerical study of the asymmetric dumbbell model consisting of ``molecules'' constructed as two different-sized Lennard-Jones spheres connected by a rigid bond. In terms of the largest (A) particle radius, we report data for the structur
Externí odkaz:
http://arxiv.org/abs/2209.11498
Publikováno v:
J. Chem. Phys. 157, 034502 (2022)
By combining interface-pinning simulations with numerical integration of the Clausius-Clapeyron equation we determine accurately the melting-line coexistence pressure and fluid/crystal densities of the Weeks-Chandler-Andersen (WCA) system covering fo
Externí odkaz:
http://arxiv.org/abs/2205.00063
Publikováno v:
Phys. Rev. E 103, 062140 (2021)
This paper studies numerically the Weeks-Chandler-Andersen (WCA) system, which is shown to obey hidden scale invariance with a density-scaling exponent that varies from below 5 to above 500. This unprecedented variation makes it advantageous to use t
Externí odkaz:
http://arxiv.org/abs/2101.10663
Publikováno v:
J. Chem. Phys. 154, 134501 (2021) [Open access]
The noble elements constitute the simplest group in the periodic table. At low temperatures or high pressures, the liquid phase solidifies into a face-centered cubic crystal structure (except helium). In the companion paper, we investigated the fcc s
Externí odkaz:
http://arxiv.org/abs/2006.07097
Autor:
Pedersen, Ulf R.
Melting temperatures at ambient pressure of systems of isosceles Lennard-Jones trimers with angles ranging from 70 degrees to 100 degrees are determined. Two crystal structures are considered: a distorted body centered cubic structure and a distorted
Externí odkaz:
http://arxiv.org/abs/1907.01792
Autor:
Pedersen, Ulf R.
Publikováno v:
J. Chem. Phys. 150, 094505 (2019)
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 investigations of fluctuations in the supercooled viscous regime using
Externí odkaz:
http://arxiv.org/abs/1811.00389
Publikováno v:
Phys. Rev. Lett. 122, 055501 (2019)
A large class of liquids have hidden scale invariance characterized by a scaling exponent. In this letter we present experimental evidence that the scaling exponent of liquid dynamics is state-point dependent for the glass-forming silicone oil tetram
Externí odkaz:
http://arxiv.org/abs/1807.11746
Publikováno v:
Phys. Rev. Lett. 120, 165501 (2018)
The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model for computational studies of viscous liquids and the glass transition. For very long simulations the viscous KA system crystallizes, however, by phase separating into a pure A p
Externí odkaz:
http://arxiv.org/abs/1803.08956