431 citations
- Technical University of DenmarkDK18 papers
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10 papers · 1 filter
Estimating melting curves for Cu and Al from simulations at a single state point
Laura Friedeheim, Felix Hummel, Jeppe C. Dyre +1
Determining the melting curves of materials up to high pressures has long been a challenge experimentally and theoretically. A large class of materials, including most metals, has…
Effectively one-dimensional phase diagram of CuZr liquids and glasses
Laura Friedeheim, Nicholas P. Bailey, Jeppe C. Dyre
This paper presents computer simulations of CuZr in the liquid and glass phases. The simulations are based on the effective-medium theory (EMT) potenti…
Solid-liquid coexistence of the noble elements. II. Neon, krypton and xenon
Aditya N. Singh, Jeppe C. Dyre, Ulf R. Pedersen
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 struct…
Solid-liquid coexistence of the noble elements. I. Theory illustrated by the case of argon
Aditya N. Singh, Jeppe C. Dyre, Ulf R. Pedersen
The noble elements constitute the simplest group of atoms. At low temperatures or high pressures they freeze into the face-centered cubic (fcc) crystal structure (except helium). W…
Hidden scale invariance at high pressures in gold and five other fcc metal crystals
Laura Friedeheim, Jeppe C. Dyre, Nicholas P. Bailey
Recent DFT (density functional theory) simulations showed that metals have a hitherto overlooked symmetry termed "hidden scale invariance" [Hummel {\em et al.}, Phys. Rev. B {\bf{9…
Cooee bitumen: Dynamics and structure of bitumen- water mixtures
Claire A. Lemarchand, Michael L. Greenfield, Jesper S. Hansen
Systems of Cooee bitumen and water up to 4 mass % are studied by molecular dynamics simula- tions. The cohesive energy density of the system is shown to decrease with an increasing…