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The fundamental assumption of conventional transition state theory is the existence of a dividing surface having the property that trajectories originating in reactants must cross the surface only once and then proceed to products. Recently…

Chaotic Dynamics · Physics 2007-05-23 H. Waalkens , S. Wiggins

We present the fully general time-dependent multiconfiguration self-consistent-field method to describe the dynamics of a system consisting of arbitrary different kinds and numbers of interacting fermions and bosons. The total wave function…

Atomic Physics · Physics 2017-10-11 Ryoji Anzaki , Takeshi Sato , Kenichi L. Ishikawa

The statics and dynamics of a surface separating two phases of a relativistic quantum field theory at or near the critical temperature typically make use of a free energy as a functional of an order parameter. This free energy functional…

High Energy Physics - Theory · Physics 2009-11-07 L. P. Csernai , J. I. Kapusta , E. Osnes

This article reviews a method for calculating an equilibrium interfacial phase diagram depicting regions of stability for different interface structures as function of temperature and chemical potentials. Density functional theory (DFT) is…

Materials Science · Physics 2016-11-23 Sven A. E. Johansson , G. Wahnström

The control of structured waves has recently opened innovative scenarios in the perspective of radiation propagation and light-matter interaction. In particular, the transmission of customized electromagnetic fields is investigated for…

Optics · Physics 2021-02-26 Gianluca Ruffato , Vincenzo Grillo , Filippo Romanato

Phase separation routinely occurs in both living and synthetic systems. These phases are often complex and distinguished by features including crystallinity, nematic order, and a host of other nonconserved order parameters. For systems at…

Statistical Mechanics · Physics 2025-12-08 Daniel Evans , Ahmad K. Omar

In traditional phase-field modeling of multiphase materials, a significant challenge arises from the non-local nature of fracture energy regularization, where interfacial toughness is inherently coupled with the properties of the…

Computational Physics · Physics 2026-04-14 Ye-Hang Qin , Ye Feng

We introduce a method for solving the "inverse" phase equilibria problem: How should the interactions among a collection of molecular species be designed in order to achieve a target phase diagram? Using techniques from convex optimization…

Soft Condensed Matter · Physics 2023-06-06 Fan Chen , William M. Jacobs

We study the governing equations for the motion of the fluid particles near air-water interface from an energetic point of view. Since evaporation and condensation phenomena occur at the interface, we have to consider phase transition. This…

Mathematical Physics · Physics 2024-01-10 Hajime Koba

With an increasing share of renewable energy sources, accurate and efficient modeling of grid-forming inverters is becoming crucial for system stability. Linear methods are a powerful tool for understanding dynamics close to an operating…

Systems and Control · Electrical Eng. & Systems 2025-06-30 Jakob Niehues , Anna Büttner , Anne Riegler , Frank Hellmann

Molecules at the air-water interface often form inhomogeneous layers in which domains of different densities are separated by sharp interfaces. Complex interfacial pattern formation may occur through the competition of short- and long-range…

patt-sol · Physics 2009-10-30 David K. Lubensky , Raymond E. Goldstein

Multiscale modelling is a new paradigm that has emerged in recent times to study the well-known problem of the process-structure-property relationship in the area of materials science and engineering. For obtaining the desired performance…

Materials Science · Physics 2023-10-10 Rupesh Chafle , Vishal Panwar , Kaushik Das , Somnath Bhowmick , Rajdip Mukherjee

The reliability of any day-to-day material is critically dictated by its properties. One factor which governs the behaviour of a material, under a given condition, is the microstructure. Despite the absence of any phase transformation, a…

Materials Science · Physics 2019-06-26 P G Kubendran Amos

Thermofield dynamics has proven to be a very useful theory in high-energy physics, particularly since it permits the treatment of both time- and temperature-dependence on an equal footing. We here show that it also has an excellent…

Chemical Physics · Physics 2020-05-14 Gaurav Harsha , Thomas M. Henderson , Gustavo E. Scuseria

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most…

Materials Science · Physics 2015-06-23 Gabriel Kocher , Nikolas Provatas

We explore a computational model of an incompressible fluid with a multi-phase field in three-dimensional Euclidean space. By investigating an incompressible fluid with a two-phase field geometrically, we reformulate the expression of the…

Numerical Analysis · Computer Science 2011-08-04 Shigeki Matsutani , Kota Nakano , Katsuhiko Shinjo

Phase decomposition is a well-known process leading to the formation of two-phase mixtures. Here we show that a strain imposed on a ferroelastic crystal promotes the formation of mixed phases and domains, i.e., domain and phase de-strain…

Materials Science · Physics 2016-12-21 Fei Xue , Yongjun Li , Yijia Gu , Jinxing Zhang , Long-Qing Chen

The full theoretical analysis of the kinetics of multicomponent nucleation is presented. The relief of the free energy with surface excesses was analyzed, the valleys and ridges were described, their mutual interaction was studied. The new…

Statistical Mechanics · Physics 2007-11-29 Victor Kurasov

In this paper we investigate a rate--independent model for hybrid laminates described by a damage phase--field approach on two layers coupled with a cohesive law governing the behaviour of their interface in a one-dimensional setup. For the…

Analysis of PDEs · Mathematics 2021-05-25 Elena Bonetti , Cecilia Cavaterra , Francesco Freddi , Filippo Riva

This is the second paper of a three-part work the main aim of which is to provide a unified consistent framework for the phase-field modelling of cohesive fracture. Building on the theoretical foundations of the first paper, where…

Analysis of PDEs · Mathematics 2025-07-17 Roberto Alessi , Francesco Colasanto , Matteo Focardi
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