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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,…

统计力学 · 物理学 2015-12-02 Bingqing Cheng , Gareth A. Tribello , Michele Ceriotti

We consider the surface melting of metal nanowires by solving a phenomenological two-parabola Landau model and by conducting molecular dynamics simulations of nickel and aluminium nanowires. The model suggests that surface melting will…

材料科学 · 物理学 2019-03-27 Kannan M. Ridings , Thomas S. Aldershof , Shaun C. Hendy

Depletion of the liquid density near a solid surface with a weak long-range fluid-surface interaction was studied by computer simulations of the liquid-vapor coexistence of a LJ fluid confined in slitlike pores. In a wide temperature range…

统计力学 · 物理学 2015-06-25 A. Oleinikova , I. Brovchenko , A. Geiger

In this communication we demonstrate the existence of a first-order prewetting transition of a supracritical model polymer solution adjacent to an attractive surface. The model fluid we use mimics (qualitatively) an aqueous polyethylene…

软凝聚态物质 · 物理学 2024-10-28 Jan Forsman , Clifford E. Woodward

Wetting phenomena are widespread in both natural and technological contexts. Despite the well-established nature of this scientific field and our extensive knowledge of its underlying principles, wetting remains a dynamic and vibrant area…

软凝聚态物质 · 物理学 2024-02-01 Carolina Brito , Hans-Jürgen Butt , Alberto Giacomello

Surface properties of mixtures of charged platelike colloids and salt in contact with a charged planar wall are studied within density functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel…

软凝聚态物质 · 物理学 2011-09-14 Markus Bier , Ludger Harnau , S. Dietrich

The melting point of a material constitutes a pivotal property with profound implications across various disciplines of science, engineering, and technology. Recent advancements in machine learning potentials have revolutionized the field,…

材料科学 · 物理学 2024-09-02 Fu-Zhi Dai , Si-Hao Yuan , Yan-Bo Hao , Xin-Fu Gu , Shipeng Zhu , Jidong Hu , Yifen Xu

It is well known that, at a macroscopic level, the boundary condition for a viscous fluid at a solid wall is one of "no-slip". The liquid velocity field vanishes at a fixed solid boundary. In this paper, we consider the special case of a…

软凝聚态物质 · 物理学 2015-06-25 Jean-Louis Barrat , Lydéric Bocquet

We propose a rigorous approach of Semi-Infinite lattice systems illustrated with the study of surface transitions of the semi-infinite Potts model.

统计力学 · 物理学 2009-11-10 Christophe Dobrovolny , Lahoussine Laanait , Jean Ruiz

Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238…

原子与分子团簇 · 物理学 2007-05-23 S. Chacko , D. G. Kanhere , S. A. Blundell

The properties expected of "hot" non-flaring plasmas due to nanoflare heating in active regions are investigated using hydrodynamic modeling tools, including a two-fluid development of the EBTEL code. Here we study a single nanoflare and…

太阳与恒星天体物理 · 物理学 2016-09-28 W. T. Barnes , P. J. Cargill , S. J. Bradshaw

We study heat transfer from a heated nanoparticle into surrounding fluid, using molecular dynamics simulations. We show that the fluid next to the nanoparticle can be heated well above its boiling point without a phase change. Under…

材料科学 · 物理学 2009-12-17 Samy Merabia , Pawel Keblinski , Laurent Joly , Laurent Lewis , Jean-Louis Barrat

With recent advances in micro- and nanofabrication, superhydrophilic and superhydrophobic surfaces have been developed. The statics and dynamics of fluids on these surfaces have been well characterized. However, few investigations have been…

流体动力学 · 物理学 2012-12-04 Amy Rachel Betz , James Jenkins , Chang-Jin 'CJ' Kim , Daniel Attinger

Employing first principles parallel tempering molecular dynamics in the microcanonical ensemble, we report the presence of a clear solid-liquid-like melting transition in Al20+ clusters, not found in experiments. The phase transition…

材料科学 · 物理学 2015-06-23 Udbhav Ojha , Krista G. Steenbergen , Nicola Gaston

The work describes the maximization problem regarding heating of an area on the surface of a thin plate within a given temperature range. The solution of the problem is applied to ion injectors. The given temperature range corresponds to a…

计算物理 · 物理学 2016-03-07 A. Ayriyan , E. E. Donets , H. Grigorian , N. Kolkovska , A. Lebedev

We consider the equilibrium of liquid droplets sitting on thin elastic sheets that are subject to a boundary tension and/or are clamped at their edge. We use scaling arguments, together with a detailed analysis based on the…

软凝聚态物质 · 物理学 2019-03-20 Benny Davidovitch , Dominic Vella

Conventional wetting theories on rough surfaces with Wenzel, Cassie-Baxter, and Penetrate modes suggest the possibility of tuning the contact angle by adjusting the surface texture. Despite decades of intensive study, there are still many…

流体动力学 · 物理学 2018-05-08 Donggyu Kim , Nicola M. Pugno , Seunghwa Ryu

A simple solid-on-solid model, proposed earlier to describe overlayer-induced faceting of bcc(111) surface, is applied to faceting of spherical surfaces covered by adsorbate monolayer. Monte Carlo simulation results show that morphology of…

软凝聚态物质 · 物理学 2009-11-11 Daniel Niewieczerzal , Czeslaw Oleksy

Melting is a high temperature process that requires extensive sampling of configuration space, thus making melting temperature prediction computationally very expensive and challenging. Over the past few years, I have built two methods to…

材料科学 · 物理学 2022-04-12 Qi-Jun Hong

Heterogeneous condensation of vapours mixed with a carrier gas in the stagnation point boundary layer flow near a cold wall is considered in the presence of solid particles much larger than the mean free path of vapour particles. The…

其他凝聚态物理 · 物理学 2009-07-22 J. C. Neu , A. Carpio , L. L. Bonilla