Microscopic dynamics in molten Ni: Experimental scrutiny of embedded-atom-potential simulations

Microscopic dynamics in molten Ni: Experimental scrutiny of embedded-atom-potential simulations

The stochastic dynamics in molten nickel is studied by neutron scattering. The quasielastic spectrum shows two distinct components having disparate linewidths. The wave-vector dependence of the narrow component is shown to arise from incoherent scattering at low momentum transfers. In turn, the spectral half-width of the wider component shows a modulation with wave vector characteristic of cohe...

Ab initio simulations of molten Ni alloys

Christopher Woodward, Mark Asta, Dallas R. Trinkle, James Lill, and Stefano Angioletti-Uberti Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright Patterson Air Force Base, Dayton, Ohio 45433-7817, USA Department of Materials Science and Engineering, University of California, Berkeley, California 94720, USA and Department of Chemical Engineering and Materials Science, ...

Microscopic structure of Fe-Ni and Fe-Ni-S molten alloys of geophysical interest

The static S(Q) liquid structure factors for binary FexNi12x , x50.90, 0.85, and ternary Fe0.85Ni0.05S0.15 molten alloys are investigated by means of the concurrent use of neutron diffraction and reverse Monte Carlo simulations. The measured G(r) radial distributions reveal atomic orderings varying from that present in the Fe0.90Ni0.10 alloy, reminiscent of the ideal bcc structure of solid Fe, ...

AB-INITIO MOLECULAR DYNAMICS SIMULATIONS OF MOLTEN Ni-BASED SUPERALLOYS (PREPRINT)

Collective excitations in molten iron above the melting point: A generalized collective-mode analysis of simulations with embedded-atom potentials

Taras Bryk1,2 and A. B. Belonoshko3 1Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Street, UA-79011 Lviv, Ukraine 2Institute of Applied Mathematics and Fundamental Sciences, National Technical University of Lviv, UA-79013 Lviv, Ukraine 3Condensed Matter Theory, Department of Theoretical Physics, KTH Royal Institute of Technology, SE-10691...