Journal ArticleDOI
Equilibrium Thermodynamic Properties of the Mixture of Hard Spheres
TLDR
In this article, an equation of state is proposed for the mixture of hard spheres based on an averaging process over the two results of the solution of the Percus-Yevick integral equation.Abstract:
An equation of state is proposed for the mixture of hard spheres based on an averaging process over the two results of the solution of the Percus–Yevick integral equation for the mixture of hard spheres. Compressibility and other equilibrium properties of the binary mixtures of hard spheres are calculated and they are compared with the related machine‐calculated (Monte Carlo and molecular dynamics) data. The comparison shows excellent agreement between the proposed equation of state and the machine‐calculated data.read more
Citations
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Quantum mechanical continuum solvation models.
TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
Journal ArticleDOI
A critical review of high entropy alloys and related concepts
Daniel B. Miracle,Oleg N. Senkov +1 more
TL;DR: High entropy alloys (HEAs) are barely 12 years old as discussed by the authors, and the field has stimulated new ideas and inspired the exploration of the vast composition space offered by multi-principal element alloys.
Journal ArticleDOI
Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules
Joachim Gross,Gabriele Sadowski +1 more
TL;DR: In this paper, a modified SAFT equation of state is developed by applying the perturbation theory of Barker and Henderson to a hard-chain reference fluid, which is applicable to mixtures of small spherical molecules such as gases, nonspherical solvents, and chainlike polymers.
Journal ArticleDOI
New reference equation of state for associating liquids
TL;DR: An equation of state for associating liquids is presented as a sum of three Helmholtz energy terms: Lennard-Lones (LJ) segment (temperature-dependent hard sphere + dispersion), chain (increment due to chain formation), and association as mentioned in this paper.
Journal ArticleDOI
High-entropy alloy: challenges and prospects
TL;DR: In this paper, a critical review of the recent studies aiming to address the fundamental issues related to phase formation in high-entropy alloys is provided, and novel properties of HEAs are also discussed, such as their excellent specific strength, superior mechanical performance at high temperatures, exceptional ductility and fracture toughness at cryogenic temperatures, superparamagnetism and superconductivity.
References
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Journal ArticleDOI
Equation of State for Nonattracting Rigid Spheres
TL;DR: In this paper, a new equation of state for rigid spheres has been developed from an analysis of the reduced virial series, which possesses superior ability to describe rigid-sphere behavior compared with existing equations.
Journal ArticleDOI
Exact solution of the percus-yevick integral equation for hard spheres
TL;DR: In this article, the equation of state and pair distribution for the Percus- Yevick integral equation for the radiai distribution function of a classical fluid are obtained in closed form for the prototype of interacting hard spheres.
Journal ArticleDOI
Equation of State for Hard Spheres
TL;DR: In this paper, simple and exact expressions for the compressibility and pressure equations of state predicted by the Percus-Yevick equation for hard spheres were found for Wainwright and Alder.
Journal ArticleDOI
Exact Solution of Generalized Percus-Yevick Equation for a Mixture of Hard Spheres
TL;DR: In this paper, the Percus-Yevick approximate equation for the radial distribution function of a fluid is generalized to an $m$-component mixture, which can be formulated by the method of functional Taylor expansion.
Journal ArticleDOI
Fifth and Sixth Virial Coefficients for Hard Spheres and Hard Disks
Francis H. Ree,William G. Hoover +1 more
TL;DR: In this paper, the modified stars contain both Mayer f functions and f functions (f≡f+1) and it is shown that the number of topologically distinguishable graphs occurring in the new expressions is about half the number required in previous expressions.
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