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We extend the Ginzburg-Landau (GL) theory of atomically rough bcc-liquid interfaces [Wu {\it et al.}, Phys. Rev. B \textbf{73}, 094101 (2006)] outside of equilibrium. We use this extension to derive an analytical expression for the kinetic…

Materials Science · Physics 2015-03-19 Kuo-An Wu , Ching-Hao Wang , Jeffrey J. Hoyt , Alain Karma

The weak anisotropy of the interfacial free-energy $\gamma$ is a crucial parameter influencing dendritic crystal growth morphologies in systems with atomically rough solid-liquid interfaces. The physical origin and quantitative prediction…

Materials Science · Physics 2009-11-11 Kuo-An Wu , Alain Karma , Jeffrey J. Hoyt , Mark Asta

An essential parameter for crystal growth is the kinetic coefficient given by the proportionality between super-cooling and average growth velocity. Here we show that this coefficient can be computed in a single equilibrium simulation using…

Statistical Mechanics · Physics 2015-10-26 Ulf R. Pedersen , Felix Hummel , Christoph Dellago

The dynamics of the normal/superconducting interface in type-I superconductors has recently been derived from the time-dependent Ginzburg-Landau theory of superconductivity. In a suitable limit these equations are mapped onto a…

Condensed Matter · Physics 2009-10-22 James C. Osborn , Alan T. Dorsey

The molecular mechanism of slip at the interface between polymer melts and weakly attractive smooth surfaces is investigated using molecular dynamics simulations. In agreement with our previous studies on slip flow of shear-thinning fluids,…

Soft Condensed Matter · Physics 2010-11-11 Nikolai V. Priezjev

Heterogeneous ice growth exhibits a maximum in freezing rate arising from the competition between kinetics and the thermodynamic driving force between the solid and liquid states. Here, we use molecular dynamics simulations to elucidate the…

Soft Condensed Matter · Physics 2013-12-31 Razvan A. Nistor , Thomas E. Markland , B. J. Berne

Hypothesis: Diffusion in confinement is an important fundamental problem with significant implications for applications of supported liquid phases. However, resolving the spatially dependent diffusion coefficient, parallel and perpendicular…

We provide a quantitative picture of non-conserved interface growth from a diffusive field making special emphasis on two main issues, the range of validity of the effective small-slopes (interfacial) theories and the interplay between the…

Statistical Mechanics · Physics 2009-11-13 Matteo Nicoli , Mario Castro , Rodolfo Cuerno

Molecular dynamics simulations are performed to measure the kinetic coefficient at the solid-liquid interface in pure gold. Results are obtained for the (111), (100) and (110) orientations. Both Au(100) and Au(110) are in reasonable…

Materials Science · Physics 2009-11-07 F. Celestini , J. M. Debierre

Molecular simulations employing empiric force fields have provided valuable knowledge about the ice growth process in the last decade. The development of novel computational techniques allows us to study this process, which requires long…

Soft Condensed Matter · Physics 2023-06-07 Pablo Montero de Hijes , Salvatore Romano , Alexander Gorfer , Christoph Dellago

The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature,…

Statistical Mechanics · Physics 2015-12-02 Bingqing Cheng , Gareth A. Tribello , Michele Ceriotti

We study the linear stability of an isotropic active fluid in three different geometries: a film of active fluid on a rigid substrate, a cylindrical thread of fluid, and a spherical fluid droplet. The active fluid is modeled by the…

Soft Condensed Matter · Physics 2019-07-22 Harsh Soni , Wan Luo , Robert A. Pelcovits , Thomas Powers

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…

Statistical Mechanics · Physics 2015-04-29 Ronald Benjamin , Jürgen Horbach

This study proposes a new method for predicting the crystal-melt interfacial free energy ($\gamma$) using the Ginzburg-Landau (GL) model, enhanced by atomistic simulation data for more accurate density wave profiles. The analysis focuses on…

Materials Science · Physics 2025-04-09 Ya-Shen Wang , Zun Liang , Brian B. Laird , Yang Yang

It has been established empirically that the rate of addition of molecules to the crystal during crystal growth from the melt is proportional to exp(-|{\Delta}S_fus|/R) where {\Delta}S_fus is the entropy of fusion. Here we show that this…

Soft Condensed Matter · Physics 2023-04-18 Richard K Bowles , Peter Harrowell

We present a classical molecular-dynamics study of the collective dynamical properties of the coexisting liquid phase at equilibrium body-centered cubic (BCC) Fe crystal-melt interfaces. For the three interfacial orientations (100), (110),…

Materials Science · Physics 2022-09-14 Xin Zhang , Wenliang Lu , Zun Liang , Yashen Wang , Songtai Lv , Hongtao Liang , Brian B. Laird , Yang Yang

In this paper, we derive the sharp interface model of the nematic-isotropic phase transition from the Landau-de Gennes theory by using the matched asymptotic expansion method. The model includes the evolution equation of the velocity and…

Analysis of PDEs · Mathematics 2014-11-04 Mingwen Fei , Wei Wang , Pingwen Zhang , Zhifei Zhang

A non-equilibrium theory of isothermal and diffusionless evolution of incoherent interfaces within a plastically deforming solid is developed. The irreversible dynamics of the interface are driven by its normal motion, incoherency (slip and…

Materials Science · Physics 2015-06-03 Anurag Gupta , David Steigmann

Wavy pattern of ice with a specific wavelength occurs during ice growth from a thin layer of undercooled water flowing down the surface of icicles or inclined plane. In the preceding paper [K. Ueno, Phys. Rev. E {\bf 68}, 021603 (2003)], we…

Materials Science · Physics 2009-11-10 K. Ueno

A systematic study based on the self-consistent dynamical simulations is presented for the spontaneous evolution of an isolated thin solid droplet on a rigid substrate, which is driven by the surface drift diffusion induced by the…

Materials Science · Physics 2010-11-25 Tarik Omer Ogurtani , Aytac Celik , Ersin Emre Oren
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