Related papers: Crystal Shapes and Phase Equilibria: A Common Math…
The quasistatic approximation is a useful but questionable simplification for analyzing step instabilities during the growth/evaporation of vicinal surfaces. Using this approximation, we characterized in Part I of this work the effect on…
Consider a homogenous fluid membrane, or vesicle, described by the Helfrich-Canham energy, quadratic in the mean curvature. When the membrane is axially symmetric, this energy can be viewed as an `action' describing the motion of a…
The hydrodynamics of crystals with vacancies is developed on the basis of local-equilibrium thermodynamics, where the chemical potential of vacancies plays a key role together with a constraint relating the concentration of vacancies to the…
We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen…
Symmetry equations are obtained for the rigidity matrices associated with various forms of infinitesimal flexibility for an idealised bond-node crystal framework $\C$ in $\bR^d$. These equations are used to derive symmetry-adapted…
The phase field theory of crystal nucleation described in [L. Granasy, T. Borzsonyi, T. Pusztai, Phys. Rev. Lett. 88, 206105 (2002)] is applied for nucleation in hard--sphere liquids. The exact thermodynamics from molecular dynamics is…
Using as a starting point conservation of momentum, a multiphase mechanical energy balance equation is derived that accounts for multiple material phases and interfaces present within a moving control volume. This balance is applied to a…
We study phase structures of quantum field theories in fuzzy geometries. Several examples of fuzzy geometries as well as QFT's on such geometries are considered. They are fuzzy spheres and beyond as well as noncommutative deformations of…
We study a microscopically realistic model of a physical gel and use computer simulations to investigate its static and dynamic properties at thermal equilibrium. The phase diagram comprises a sol phase, a coexistence region ending at a…
Bilayer graphene has been a subject of intense study in recent years. We extend a structural phase field crystal method to include an external potential from adjacent layer(s), which is generated by the corresponding phase field and changes…
While measurements of the polar dependence of the surface free energy are easily available, measurements of the whole polar dependence of the surface stress of a crystal do not exist. In this paper is presented a new procedure that allows,…
A relativistic mean-field model of nuclear matter with arbitrary proton fraction is studied at finite temperature. An analysis is performed of the liquid-gas phase transition in a system with two conserved charges (baryon number and…
A fluid in a pore can form diverse heterogeneous structures. We combine a capillary description with the cubic-plus-association equation of state to study the thermodynamic stability of droplets, bubbles and films of water at 358 K in a…
We study a simple model of a nematic liquid crystal made of parallel ellipsoidal particles interacting via a repulsive Gaussian law. After identifying the relevant solid phases of the system through a careful zero-temperature scrutiny of as…
We investigate the universal property of curvatures in surface models which display a flat phase and a rough phase whose criticality is described by the Gaussian model. Earlier we derived a relation between the Hessian of the free energy…
The phase diagram of a system of electrons hopping on a square lattice and interacting through long-range Coulomb forces is studied as a function of density and interaction strength. The presence of a lattice strongly enhances the stability…
In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…
The interfacial free energy between a crystal and a fluid, {\gamma} cf, is a highly relevant parameter in phenomena such as wetting or crystal nucleation and growth. Due to the difficulty of measuring {\gamma} cf experimentally, computer…
Differentiating structural evolution from structural development or formation opens many avenues of research. The study particularly advances the chemical and physical sciences, material science, energy science, and chemical engineering. By…
We report a characterization of the relative stability and structural behavior of various micellar crystals of an athermal model of AB-diblock copolymers in solution. We adopt a previously devel- oped coarse-graining representation of the…