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Detailed semi-empirical interaction potential calculations are performed to determine the potential energy surface experienced by the molecules CO, HCN, H2O and H2CO, when adsorbed on the basal plane (0001) of graphite at low temperature.…

Chemical Physics · Physics 2015-05-13 Azzedine Lakhlifi , John P. Killingbeck

Surface effects on the electronic energy loss of charged particles entering a metal surface are investigated within linear-response theory, in the framework of time-dependent density functional theory. Interesting phenomena occur in the…

Materials Science · Physics 2007-05-23 A. Garcia-Lekue , J. M. Pitarke

The concept of fission barrier - a parameter which enters in quantitative estimates of various observables related to nuclear fission - is presented from the point of view of theory based on the picture of nuclear deformation and energy…

Nuclear Theory · Physics 2022-04-27 Michał Kowal , Janusz Skalski

A periodic assembly of acoustically-rigid blocks (termed 'grating'), situated between two half spaces occupied by fluid-like media, lends itself to a rigorous theoretical analysis of its response to an acoustic homogeneous plane wave. This…

Applied Physics · Physics 2018-04-04 Armand Wirgin

We present a phenomenological theory of nuclei which incorporates clustering at the nuclear surface in a general form. The theory explains the recently extracted large symmetry energy at low densities of nuclear matter and is consistent…

Nuclear Theory · Physics 2010-06-29 Q. N. Usmani , Zaliman Sauli , Noraihan Abdullah

Heterogeneous nucleation is the main path to ice formation on Earth. The ice nucleating ability of a certain substrate is mainly determined by both molecular interactions and the structural mismatch between the ice and the substrate…

Materials Science · Physics 2026-01-13 Miguel Camarillo , Javier Oller-Iscar , María M. Conde , Jorge Ramírez , Eduardo Sanz

We investigate freely cooling systems of rough spheres in two and three dimensions. Simulations using an event driven algorithm are compared with results of an approximate kinetic theory, based on the assumption of a generalized homogeneous…

Statistical Mechanics · Physics 2009-10-31 S. Luding , M. Huthmann , S. McNamara , A. Zippelius

When applying a voltage bias across a thin nanopore, localized Joule heating can lead to single bubble nucleation, offering a unique platform for studying nanoscale bubble behavior, which is still poorly understood. Accordingly, we…

Reactions on surfaces play an important role in many technological applications. Since these processes are often rather complex, one tries to understand single steps of these complicated reactions by investigating simpler system. In…

Materials Science · Physics 2009-10-31 Axel Gross

It is surprisingly difficult to freeze water. Almost all ice that forms under "mild" conditions (temperatures > -40 degrees Celsius) requires the presence of a nucleating agent - a solid particle that facilitates the freezing process - such…

Statistical Mechanics · Physics 2014-04-25 Stephen J. Cox , Zamaan Raza , Shawn M. Kathmann , Ben Slater , Angelos Michaelides

We present a multi-phase design parameterization to obtain optimized heterogeneous lattice structures. The 3D domain is discretized into a cubical grid wherein each cube has eight distinct unit cell types or phases. When all phases are…

Materials Science · Physics 2021-03-04 Yash Agrawal , G. K. Ananthasuresh

We classify hyperbolic polynomials in two real variables that admit a transitive action on some component of their hyperbolic level sets. Such surfaces are called special homogeneous surfaces, and they are equipped with a natural Riemannian…

Differential Geometry · Mathematics 2024-12-11 David Lindemann , Andrew Swann

The nuclear symmetry energy is a fundamental quantity important for studying the structure of systems as diverse as the atomic nucleus and the neutron star. Considerable efforts are being made to experimentally extract the symmetry energy…

Nuclear Experiment · Physics 2015-05-18 D. V. Shetty , S. J. Yennello

Freezing is a fundamental physical phenomenon that has been studied over many decades; yet the role played by surfaces in determining nucleation has remained elusive. Here we report direct computational evidence of surface induced…

Statistical Mechanics · Physics 2015-05-13 T. Li , D. Donadio , L. M. Ghiringhelli , G. Galli

The relaxation of axisymmetric crystal surfaces with a single facet below the roughening transition is studied via a continuum approach that accounts for step energy g_1 and step-step interaction energy g_3>0. For diffusion-limited…

Materials Science · Physics 2009-11-10 Dionisios Margetis , Michael J. Aziz , Howard A. Stone

A variational model in the context of the gradient theory for fluid-fluid phase transitions with small scale heterogeneities is studied. In particular, the case where the scale $\varepsilon$ of the small homogeneities is of the same order…

Analysis of PDEs · Mathematics 2020-05-28 Riccardo Cristoferi , Irene Fonseca , Adrian Hagerty , Cristina Popovici

A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…

Materials Science · Physics 2011-07-28 Daniel A. Cogswell , W. Craig Carter

The classical nucleation theory (CNT) concept of a nucleus as a fragment of the bulk new phase fails for nanosized nuclei. An extension of CNT taking into account the properties of the transition region between coexisting bulk phases is…

Chemical Physics · Physics 2017-06-09 Nikolay V. Alekseechkin

We examine how the properties of inhomogeneous nuclear matter at subnuclear densities depend on the density dependence of the symmetry energy. Using a macroscopic nuclear model we calculate the size and shape of nuclei in neutron star…

Nuclear Theory · Physics 2008-11-26 Kazuhiro Oyamatsu , Kei Iida

The ion distribution of electrolytes near interfaces with dielectric contrast has important consequences for electrochemical processes and many other applications. To date, most studies of such systems have focused on geometrically simple…

Soft Condensed Matter · Physics 2018-11-14 Huanxin Wu , Honghao Li , Francisco J. Solis , Monica Olvera de la Cruz , Erik Luijten