Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag

Relationship between structure and viscosity of CaO–SiO2–Al2O3–MgO–TiO2 slag

(2014) Shengfu Zhang et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

The effect of annealing on the electronic stability of an amorphous Zr70Pd30 alloy

(2014) G.S.E. Antipas et al.   MATERIALS CHEMISTRY AND PHYSICS

Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations

(2013) Ye Xiang et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic order and cluster energetics of a 17 wt% Si-based glass versus the liquid phase

(2013) G S E Antipas et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Experimentally constrained atomic order probing of a Si–Al composite glass

(2013) K. Karalis et al.   PHILOSOPHICAL MAGAZINE

A containerless study of short-range order in high-temperature Fe–Si–Al–Ca–Mg–Cr–Cu–Ni oxide systems

(2012) G.S.E. Antipas et al.   JOURNAL OF MOLECULAR STRUCTURE

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

(2011) Carl Caleman et al.   Journal of Chemical Theory and Computation

Electronic redistribution around oxygen atoms in silicate melts by ab initio molecular dynamics simulation

(2011) R. Vuilleumier et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Defect-mediated self-diffusion in calcium aluminosilicate glasses: A molecular modeling study

(2011) Adama Tandia et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Study of structural and dynamic properties of liquid phenyltrimethoxysilane

(2011) Khadga Karki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

ISAACS– interactive structure analysis of amorphous and crystalline systems

(2010) Sébastien Le Roux et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

On the short-range order of the SiOx (0≤x≤2) surface

(2009) O. Bondarchuk et al.   APPLIED SURFACE SCIENCE

Artificial neural network model to predict slag viscosity over a broad range of temperatures and slag compositions

(2009) Marc A. Duchesne et al.   FUEL PROCESSING TECHNOLOGY

Computer modeling of natural silicate melts: What can we learn from ab initio simulations

(2009) Rodolphe Vuilleumier et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Molecular simulations of benzene and hexafluorobenzene using new optimized effective potential models: Investigation of the liquid, vapor–liquid coexistence and supercritical fluid phases

(2009) Dimitris Dellis et al.   JOURNAL OF MOLECULAR LIQUIDS

On the Validity of Stokes-Einstein and Stokes-Einstein-Debye Relations in Ionic Liquids and Ionic-Liquid Mixtures

(2008) Thorsten Köddermann et al.   CHEMPHYSCHEM

Heat capacity of liquids: An approach from the solid phase

(2008) Kostya Trachenko   PHYSICAL REVIEW B

Surface of a calcium aluminosilicate glass by classical and ab initio molecular dynamics simulations

(2007) Patrick Ganster et al.   SURFACE SCIENCE