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We consider the classical molecular beam epitaxy (MBE) model with logarithmic type potential known as no-slope-selection. We employ a third order backward differentiation (BDF3) in time with implicit treatment of the surface diffusion term.…

Numerical Analysis · Mathematics 2021-10-26 Dong Li , Chaoyu Quan , Wen Yang

We introduce a new $\mathbf F$-modulated energy stability framework for general linear multistep methods. We showcase the theory for the two dimensional molecular beam epitaxy model with no slope selection which is a prototypical gradient…

Numerical Analysis · Mathematics 2021-11-10 Dong Li , Chaoyu Quan , Wen Yang

We derive unconditionally stable and convergent variable-step BDF2 scheme for solving the MBE model with slope selection. The discrete orthogonal convolution kernels of the variable-step BDF2 method is commonly utilized recently for solving…

Numerical Analysis · Mathematics 2023-02-07 Xuan Zhao , Haifeng Zhang , Hong Sun

For the time-fractional phase field models, the corresponding energy dissipation law has not been settled on both the continuous level and the discrete level. In this work, we shall address this open issue. More precisely, we prove for the…

Numerical Analysis · Mathematics 2020-12-03 Tao Tang , Haijun Yu , Tao Zhou

In this paper, we propose a time-fractional molecular beam epitaxy (MBE) model with slope selection and its efficient, accurate, full discrete, linear numerical approximation. The numerical scheme utilizes the fast algorithm for the Caputo…

Numerical Analysis · Mathematics 2020-01-08 Lizhen Chen , Jia Zhao , Waixiang Cao , Hong Wang , Jiwei Zhang

Energy-Based Models (EBMs) have proven to be a highly effective approach for modelling densities on finite-dimensional spaces. Their ability to incorporate domain-specific choices and constraints into the structure of the model through…

Machine Learning · Computer Science 2023-02-24 Jen Ning Lim , Sebastian Vollmer , Lorenz Wolf , Andrew Duncan

In this paper we present a complete framework for the energy-stable simulation of stratified incompressible flow in channels, using the one-dimensional two-fluid model. Building on earlier energy-conserving work on the basic two-fluid…

Fluid Dynamics · Physics 2023-10-24 J. F. H. Buist , B. Sanderse , S. Dubinkina , C. W. Oosterlee , R. A. W. M. Henkes

In this work, we are concerned with the stability and convergence analysis of the second order BDF (BDF2) scheme with variable steps for the molecular beam epitaxial model without slope selection. We first show that the variable-step BDF2…

Numerical Analysis · Mathematics 2022-01-05 Hong-lin Liao , Xuehua Song , Tao Tang , Tao Zhou

The paper considers a thermodynamically consistent phase-field model of a two-phase flow of incompressible viscous fluids. The model allows for a non-linear dependence of fluid density on the phase-field order parameter. Driven by…

Numerical Analysis · Mathematics 2023-09-27 Yerbol Palzhanov , Alexander Zhiliakov , Annalisa Quaini , Maxim Olshanskii

In this paper, we consider the numerical approximation for a diffuse interface model of the two-phase incompressible inductionless magnetohydrodynamics problem. This model consists of Cahn-Hilliard equations, Navier-Stokes equations and…

Numerical Analysis · Mathematics 2022-02-01 Xiaorong Wang , Xiaodi Zhang

This paper aims to investigate a three-dimensional fully magnetic effected piezoelectric beam model with strong sources and nonlinear interior dampings. By employing nonlinear semigroups and the theory of monotone operators, the existence…

Analysis of PDEs · Mathematics 2026-03-09 Menglan Liao , Baowei Feng

We present a unified description of interface kinetic effects in phase field models for isothermal transformations in binary alloys and steps dynamics in molecular-beam-epitaxy. The phase field equations of motion incorporate a kinetic…

Materials Science · Physics 2015-06-16 G. Boussinot , Efim A. Brener

A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…

Chemical Physics · Physics 2009-04-22 Bernhard Eckl , Jadran Vrabec , Hans Hasse

A new time discretization scheme for the numerical simulation of two-phase flow governed by a thermodynamically consistent diffuse interface model is presented. The scheme is consistent in the sense that it allows for a discrete in time…

Analysis of PDEs · Mathematics 2014-02-27 Harald Garcke , Michael Hinze , Christian Kahle

Energy-based fragmentation methods approximate the potential energy of a molecular system as a sum of contribution terms built from the energies of particular subsystems. Some such methods reduce to truncations of the many-body expansion…

Numerical Analysis · Mathematics 2025-09-25 James Barker , Michael Griebel , Jan Hamaekers

In this paper, we consider the numerical solution of a binary fluid-surfactant phase field model, in which the free energy contains a nonlinear coupling entropy, a Ginzburg-Landau double well potential, and a logarithmic Flory-Huggins…

Numerical Analysis · Mathematics 2017-04-05 Xiaofeng Yang , Lili Ju

In this paper we introduce a mesoscale continuum model for membranes made of two different types of amphiphilic lipids. The model extends work by Peletier and the second author [Arch. Ration. Mech. Anal. 193, 2009] for the one-phase case.…

Analysis of PDEs · Mathematics 2024-03-25 Jakob Fuchs , Matthias Röger

We develop a family of stabilized backward differentiation formula (sBDF) schemes of orders one through four for semilinear parabolic equations. The proposed methods are designed to achieve three properties that are rarely available…

Numerical Analysis · Mathematics 2026-03-25 Haishen Dai , Huan Lei , Bin Zheng

A new kinetic model for multiphase flow was presented under the framework of the discrete Boltzmann method (DBM). Significantly different from the previous DBM, a bottom-up approach was adopted in this model. The effects of molecular size…

Computational Physics · Physics 2022-03-24 Yudong Zhang , Aiguo Xu , Jingjiang Qiu , Hongtao Wei , Zung-Hang Wei

We propose several linear, fully decoupled numerical schemes with first- and second-order temporal accuracy for a novel Q-tensor-based two-phase hydrodynamic model describing the coupling of active nematic liquid crystal solutions with…

Numerical Analysis · Mathematics 2026-05-26 Xuelong Gu , Guanghua Ji , Qi Wang
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