Embedded-atom-method study of structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys

M Asta, D Morgan, JJ Hoyt, B Sadigh, JD Althoff… - Physical Review B, 1999 - APS
Structural, thermodynamic, and atomic-transport properties of liquid Ni-Al alloys have been
studied by Monte Carlo and molecular-dynamics simulations based upon three different …

X-ray diffraction studies of the Ni–Si and Al–Ni–Si melts

OS Muratov, OS Roik, VP Kazimirov… - Journal of Molecular …, 2014 - Elsevier
The local atomic structure of the liquid Ni–Si and Al–Ni–Si alloys has been studied by X-ray
diffraction and Reverse Monte Carlo simulations. The chemical short-range order and …

Phase diagram of a square-well model in two dimensions

JC Armas-Pérez, J Quintana-H, GA Chapela… - The Journal of …, 2014 - pubs.aip.org
The phase behavior of a two-dimensional square-well model of width 1.5 σ, with emphasis
on the low-temperature and/or high-density region, is studied using Monte Carlo simulation …

Two conceptualizations of the partial structures and of the order parameters in the ternary alloy and relationships between them

B Grosdidier - Journal of Non-Crystalline Solids, 2021 - Elsevier
Based on our two previous works (B. Grosdidier 2018 and 2019) and on rigorous
calculations, we investigate the structure and the order in the ternary alloy. We show that the …

Noncompact crystalline solids in the square-well potential

J Serrano-Illán, G Navascués, E Velasco - Physical Review E—Statistical …, 2006 - APS
We reexamine the phase diagram of the square-well potential, using both theoretical and
computer-simulation techniques, for not too short ranges of the potential. The phase diagram …

Formulation of the partial structure factors and of the order parameters for the liquid or amorphous multicomponent alloy–Application to the quinternary and hexa …

B Grosdidier - Journal of Non-Crystalline Solids, 2022 - Elsevier
Thanks to the extension of the results of our four previous works (B. Grosdidier 2018, 2019,
2021, 2022), we now study the structure and the order parameters of the multicomponent …

Structure of Al–Ge liquid alloy

B Grosdidier, JG Gasser - Journal of non-crystalline solids, 1999 - Elsevier
We present our experimental results (structure factors) obtained by neutron scattering on
liquid Al–Ge alloys at 20, 40, 60, and 80 at.% aluminium at the temperature of 977° C. The …

Calculation of the total structure factor and of the layers with their three order parameters for a ternary alloy with spherical symmetry from its invariance under the …

B Grosdidier - Journal of Non-Crystalline Solids, 2019 - Elsevier
We investigate the decomposition of the structure factor of a ternary alloy with spherical
symmetry into the largest number of linearly independent and invariant quantities under the …

Ordering potential in liquid Al–Ge alloys structure and thermodynamics

B Grosdidier, JG Gasser - Intermetallics, 2003 - Elsevier
In this paper we use the concept of ordering potential to calculate the atomic structure and
the thermodynamic asymptotic limit of the liquid Al–Ge alloy, for which we previously …

Chemical Order of Manganese-Antimony Liquid Alloys Obtained Experimentally by the Neutron “Null Matrix” Method

B Grosdidier, JL Bos, JG Gasser… - Physics and Chemistry …, 2002 - Taylor & Francis
The Bhatia-Thornton concentration-concentration partial structure factor S CC (q) is a strong
indicator of the order in liquid alloys. Manganese is one of the four metals, which has a …