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We propose a model that describes phase transition including metastable phases present in the van der Waals Equation of State (EoS). We introduce a dynamical system that is able to depict the mass transfer between two phases, for which…

数值分析 · 数学 2014-02-07 François James , Hélène Mathis

We present an approach for computing long-range van der Waals (vdW) interactions between complex molecular systems and arbitrarily shaped macroscopic bodies, melding atomistic treatments of electronic fluctuations based on density…

介观与纳米尺度物理 · 物理学 2017-07-05 Prashanth S. Venkataram , Jan Hermann , Alexandre Tkatchenko , Alejandro W. Rodriguez

This is a slightly corrected version of the article published by Functional Analysis and its Applications in 1993. We define the quadratic duality for algebras with nonhomogeneous relations; the duality between the algebra of differential…

环与代数 · 数学 2014-11-11 Leonid Positselski

Equilibrium polyethylene crystal structure, cohesive energy, and elastic constants are calculated by density-functional theory applied with a recently proposed density functional (vdW-DF) for general geometries [Phys. Rev. Lett. 92, 246401…

材料科学 · 物理学 2009-11-11 Jesper Kleis , Bengt I. Lundqvist , David C. Langreth , Elsebeth Schroder

We construct a novel approach, based on thermodynamic geometry, to characterize first-order phase transitions from a microscopic perspective, through the scalar curvature in the equilibrium thermodynamic state space. Our method resolves key…

统计力学 · 物理学 2013-05-30 George Ruppeiner , Anurag Sahay , Tapobrata Sarkar , Gautam Sengupta

Decoherence phenomena are pervasive in the arena of nanostructures but perhaps even more so in the study of the fundamentals of quantum mechanics and quantum computation. Since there has been little overlap between the studies in both…

凝聚态物理 · 物理学 2009-11-10 R. F. O'Connell

A new proof of Imprimitivity theorem for transitive systems of covariance is given and a definition of square-integrable representation modulo a subgroup is proposed. This clarifies the relation between coherent states, wavelet transforms…

数学物理 · 物理学 2007-05-23 G. Cassinelli , E. De Vito

We have developed a new and general theory of nonuniform fluids that naturally incorporates molecular scale information into the classical van der Waals theory of slowly varying interfaces. Here the theory is applied to the liquid-vapor…

统计力学 · 物理学 2007-05-23 Kirill Katsov , John D. Weeks

We present a modified version of the one-dimensional sine-Gordon that exhibits a thermodynamic, roughening phase transition, in analogy with the 2D usual sine-Gordon model. The model is suited to study the crystalline growth over an…

统计力学 · 物理学 2009-11-10 Saul Ares , Angel Sanchez

We propose a model that describes phase transition including meta\-stable states present in the van der Waals Equation of State. From a convex optimization problem on the Helmoltz free energy of a mixture, we deduce a dynamical system that…

统计力学 · 物理学 2016-03-15 Francois James , Hélène Mathis

The development of van der Waals heterostructures has introduced unconventional phenomena that emerge at atomically precise interfaces. For example, interlayer excitons in two-dimensional transition metal dichalcogenides show intriguing…

介观与纳米尺度物理 · 物理学 2024-05-02 N. Fang , Y. R. Chang , S. Fujii , D. Yamashita , M. Maruyama , Y. Gao , C. F. Fong , D. Kozawa , K. Otsuka , K. Nagashio , S. Okada , Y. K. Kato

We reformulate time evolution of systems in mixed states in terms of the classical observables of correlators using the Weyl correspondence rule. The resulting equation of motion for the Wigner functional of the density matrix is found to…

高能物理 - 理论 · 物理学 2007-05-23 Herbert Nachbagauer

Building on discoveries in graphene and two-dimensional (2D) transition metal dichalcogenides, van der Waals (VdW) layered heterostructures - stacks of such 2D materials - are being extensively explored with resulting new discoveries of…

材料科学 · 物理学 2022-10-20 Nicholas Ng , Tyrel M. McQueen

The Poisson-Nernst-Planck system of equations used to model ionic transport is interpreted as a gradient flow for the Wasserstein distance and a free energy in the space of probability measures with finite second moment. A variational…

偏微分方程分析 · 数学 2015-09-08 David Kinderlehrer , Léonard Monsaingeon , Xiang Xu

We describe cohomological conditions that are necessary and sufficient for the existence of balanced dualizing dg-modules, generalizing a theorem of Van den Bergh for balanced dualizing complexes over graded algebras. As a consequence, we…

环与代数 · 数学 2025-06-04 Michael K. Brown , Andrew J. Soto Levins , Prashanth Sridhar

We give a novel convergence theory for two-level hybrid Schwarz domain-decomposition (DD) methods for finite-element discretisations of the high-frequency Helmholtz equation. This theory gives sufficient conditions for the preconditioned…

数值分析 · 数学 2025-09-29 Jeffrey Galkowski , Euan A. Spence

We theoretically investigate the nucleation of liquid droplets from vapor in the presence of a charged spherical particle. Due to field gradients, sufficiently close to the critical point of the vapor--gas system, the charge destabilizes…

化学物理 · 物理学 2021-11-04 Roni Kroll , Yoav Tsori

Explicit analytical expressions for the drag and diffusion coefficients of a spherical particle attached to the interface between two immiscible fluids are constructed for the case of a small viscosity ratio between the fluid phases. The…

软凝聚态物质 · 物理学 2016-04-20 Aaron Dörr , Steffen Hardt

We present evidences for the connection between the potential of different fields and complexity growth rates both in conformal and confining cases. By studying different models, we also establish a strong connection between phase…

高能物理 - 理论 · 物理学 2018-11-13 Mahdis Ghodrati

In the present work, we address a class of Cahn-Hilliard equations characterized by a nonlinear diffusive dynamics and possibly containing an additional sixth order term. This model describes the separation properties of oil-water mixtures,…

偏微分方程分析 · 数学 2012-06-26 Giulio Schimperna , Irena Pawlow