Author
Elizabeth Monroe
Bio: Elizabeth Monroe is an academic researcher. The author has contributed to research in topics: Fusion & Distribution function. The author has an hindex of 2, co-authored 2 publications receiving 260 citations.
Papers
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TL;DR: A statistical mechanical theory of fusion based upon the use of local free energies is presented in this paper. But this theory is restricted to the case of a set of parameters and is not suitable for all parameters.
Abstract: A statistical mechanical theory of fusion based upon the use of local free energies is presented. An integral equation is formulated for the distribution function of average density in a region occupied by a system of molecules. Periodic solutions characteristic of a crystalline phase are found for certain ranges of values of a set of parameters depending upon temperature and volume. When the parameters decrease below certain critical values, all terms of the Fourier series representing the distribution function vanish with the exception of the constant term. A uniform density distribution characteristic of a fluid phase is then obtained. The melting parameters of argon at several pressures are calculated with the aid of the theory and compared with experiment.
221 citations
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TL;DR: In this paper, the authors reviewed new perspectives on the phase field approach in modeling deformation and fracture at the fundamental defect level, including the ability to predict fundamental properties of individual defects such as size, formation energy, saddle point configuration and activation energy of defect nuclei, and the micromechanisms of their mutual interactions.
375 citations
TL;DR: A comprehensive overview of phase transition studies can be found in this article, where the authors identify the essential key concepts and points of difficulty associated with the study of phase transitions and discuss the most widely used experimental techniques for measuring these transition properties.
308 citations
TL;DR: In this paper, a density functional model based on the coarse-grained density distribution is used to analyse the melting of hard spheres and discs, and the role of the attractive interaction is modelled in a mean field approximation, to get the full solid-liquid-vapour phase diagram of a system with Lennard-Jones interactions.
Abstract: A density functional model, based on the coarse grained density distribution is used to analyse the melting of hard spheres and discs. The role of the attractive interaction is modelled in a mean field approximation, to get the full solid-liquid-vapour phase diagram of a system with Lennard-Jones interactions.
306 citations
TL;DR: In this article, an integral equation for the radial distribution function for pairs in a liquid, and an approximate solution is effected for a system of ''hard spheres'' is derived. But the form of the function depends on a single parameter λ which can be related to certain observed physical properties of the liquid and to the diameter of closest approach.
Abstract: In accordance with the general methods of an earlier paper (reference 1) an integral equation is evolved for the radial distribution function for pairs in a liquid, and an approximate solution is effected for a system of ``hard spheres.'' The form of the function depends on a single parameter λ which can be related to certain observed physical properties of the liquid and to the diameter of closest approach. The theoretical function has been calculated for a value of λ appropriate to liquid argon at 90°K, and compared to experimental radial distribution functions derived from x‐ray scattering data.
305 citations
TL;DR: It is shown quantitatively that shape drives the phase behavior of systems of anisotropic particles upon crowding through DEFs, and the mechanism that generates directional entropic forces is the maximization of entropy by optimizing local particle packing.
Abstract: Entropy drives the phase behavior of colloids ranging from dense suspensions of hard spheres or rods to dilute suspensions of hard spheres and depletants. Entropic ordering of anisotropic shapes into complex crystals, liquid crystals, and even quasicrystals was demonstrated recently in computer simulations and experiments. The ordering of shapes appears to arise from the emergence of directional entropic forces (DEFs) that align neighboring particles, but these forces have been neither rigorously defined nor quantified in generic systems. Here, we show quantitatively that shape drives the phase behavior of systems of anisotropic particles upon crowding through DEFs. We define DEFs in generic systems and compute them for several hard particle systems. We show they are on the order of a few times the thermal energy ([Formula: see text]) at the onset of ordering, placing DEFs on par with traditional depletion, van der Waals, and other intrinsic interactions. In experimental systems with these other interactions, we provide direct quantitative evidence that entropic effects of shape also contribute to self-assembly. We use DEFs to draw a distinction between self-assembly and packing behavior. We show that the mechanism that generates directional entropic forces is the maximization of entropy by optimizing local particle packing. We show that this mechanism occurs in a wide class of systems and we treat, in a unified way, the entropy-driven phase behavior of arbitrary shapes, incorporating the well-known works of Kirkwood, Onsager, and Asakura and Oosawa.
232 citations