Related papers: Numerical Simulation of Three-Dimensional Dendriti…
Kinetics of crystal-growth is investigated along the solid-liquid coexistence line for the (100), (110) and (111) orientations of the Lennard-Jones and Weeks-Chandler-Andersen fcc crystal-liquid interface, using non-equilibrium molecular…
Cellular or dendritic microstructures that result as a function of additive manufacturing solidification conditions in a Ni-based melt pool are simulated in the present work using three-dimensional phase-field simulations. A macroscopic…
The three-dimensional generalized dynamics of soft-matter quasicrystals was investigated, in which the governing equations of the dynamics are derived for observed 12-fold symmetry quasicrystals and possible observed 8- and 10-symmetry ones…
The shape deformation of a three-dimensional axisymmetric vesicle with encapsulated filaments or impurities is analyzed by integrating a dissipation dynamics. This method can incorporate systematically the constraint of a fixed surface area…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
We perform extensive monomer-resolved computer simulations of suitably-designed amphiphilic dendritic macromolecules over a broad range of densities, proving the existence and stability of cluster crystals formed in these systems, as…
We investigate the formation of a two-dimensional quasicrystal in a monodisperse system, using molecular dynamics simulations of hard sphere particles interacting via a two-dimensional square-well potential. We find that more than one…
We study the evolution of solidification microstructures using a phase-field model computed on an adaptive, finite element grid. We discuss the details of our algorithm and show that it greatly reduces the computational cost of solving the…
The nature of the skyrmion-crystal (SkX) formation and various multiple-$q$ phases encompassing the SkX phase are investigated by extensive Monte Carlo simulations on the frustrated $J_1$-$J_3$ triangular-lattice Heisenberg model with the…
We study a model for anisotropic singlet pairing in $A_3{\rm C}_{60}$, using a realistic model for the Fermi surface in a hypothesized orientationally-ordered doped crystal. Anisotropic solutions are studied by combining numerical solutions…
Single crystals of LaNiSb$_3$ were grown using the Sn flux method. Structural characterization confirms that LaNiSb$_3$ crystallizes in the orthorhombic $Pbcm$ space group with lattice parameters $a = 13.0970(2)\,\mathrm{\AA}$, $b =…
We describe the electrically enhanced growth of needle crystals from the vapor phase, for which there exists a morphological instability above a threshold applied potential. Our improved theoretical treatment of this phenomenon shows that…
Based on static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits…
We present a convergence result for the finite volume method applied to a particular phase field problem suitable for simulation of pure substance solidification. The model consists of the heat equation and the phase field equation with a…
Melting in 2D is described by the celebrated Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory. The unbinding of two different types of topological defects destroys translational and orientational order at different temperatures. The…
We demonstrate that nascent polymer crystals (i.e., nuclei) are anisotropic entities, with neither spherical nor cylindrical geometry, in contrast to previous assumptions. In fact, cylindrical, spherical, and other high symmetry geometries…
In this paper, we propose and analyze a first-order and a second-order time-stepping schemes for the anisotropic phase-field dendritic crystal growth model. The proposed schemes are based on an auxiliary variable approach for the Allen-Cahn…
We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input…
Simulations of nematic-isotropic transition of liquid crystals in two dimensions are performed using an O(2) vector model characterised by non linear nearest neighbour spin interaction governed by the fourth Legendre polynomial $P\_4$. The…
We report measurements of the initial growth and subsequent transient response of dendritic crystals of ammonium chloride grown from supersaturated aqueous solution. Starting from a small, nearly spherical seed held in unstable equilibrium,…