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We show that one can employ well-established numerical continuation methods to efficiently calculate the phase diagram for thermodynamic systems. In particular, this involves the determination of lines of phase coexistence related to first…

Soft Condensed Matter · Physics 2021-01-22 Max Philipp Holl , Andrew J. Archer , Uwe Thiele

The athermal quasistatic deformation method provides an elegant solution to overcome the limitation of short time spans in molecular simulations. It provides overdamped conditions, allowing for the extraction of purely structural responses…

Computational Physics · Physics 2026-04-30 Maximilian Reihn , Franz Bamer , Benjamin Stamm

Currently existing energy-stable parametric finite element methods for surface diffusion flow and other flows are usually limited to first-order accuracy in time. Designing a high-order algorithm for geometric flows that can also be…

Numerical Analysis · Mathematics 2024-07-15 Meng Li , Yihang Guo , Jingjiang Bi

In this paper, we propose and analyze an efficient numerical method for the anisotropic phase field dendritic crystal growth model, which is challenging because we are facing the nonlinear coupling and anisotropic coefficient in the model.…

Numerical Analysis · Mathematics 2023-10-17 Yayu Guo , Mejdi Azaiez , Chuanju Xu

We focus on the numerical approximation of the Cahn-Hilliard type equations, and present a family of second-order unconditionally energy-stable schemes. By reformulating the equation into an equivalent system employing a scalar auxiliary…

Fluid Dynamics · Physics 2018-03-19 Suchuan Dong , Zhiguo Yang , Lianlei Lin

In this paper, we develop the numerical theory of decoupled modified characteristic finite element method with different subdomain time steps for the mixed stabilized formulation of nonstationary dual-porosity-Navier-Stokes model. Based on…

Numerical Analysis · Mathematics 2020-08-19 Luling Cao , Yinnian He , Jian Li

The phase-field-crystal model for liquid crystals is solved numerically in two spatial dimensions. This model is formulated with three position-dependent order parameters, namely the reduced translational density, the local nematic order…

Soft Condensed Matter · Physics 2014-01-28 Cristian Vasile Achim , Raphael Wittkowski , Hartmut Löwen

A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…

In this paper, we propose multicontinuum splitting schemes for multiscale problems, focusing on a parabolic equation with a high-contrast coefficient. Using the framework of multicontinuum homogenization, we introduce spatially smooth…

Numerical Analysis · Mathematics 2024-10-08 Yalchin Efendiev , Wing Tat Leung , Buzheng Shan , Min Wang

The existing discrete variational derivative method is only second-order accurate and fully implicit. In this paper, we propose a framework to construct an arbitrary high-order implicit (original) energy stable scheme and a second-order…

Numerical Analysis · Mathematics 2022-10-24 Jizu Huang

In this paper, we develop a second-order, fully decoupled, and energy-stable numerical scheme for the Cahn-Hilliard-Navier-Stokes model for two phase flow with variable density and viscosity. We propose a new decoupling Constant Scalar…

Numerical Analysis · Mathematics 2024-10-22 Jinpeng Zhang , Li Luo , Xiaoping Wang

We present and analyze an unconditionally energy stable and convergent finite difference scheme for the Functionalized Cahn-Hilliard equation. One key difficulty associated with the energy stability is based on the fact that one nonlinear…

Numerical Analysis · Mathematics 2016-10-11 Wenqiang Feng , Zhen Guan , John Lowengrub , Cheng Wang , Steven M. Wise

In this work, we propose multicontinuum splitting schemes for the wave equation with a high-contrast coefficient, extending our previous research on multiscale flow problems. The proposed approach consists of two main parts: decomposing the…

Numerical Analysis · Mathematics 2025-06-03 Mohsen Alshahrani , Buzheng Shan

The paper presents a model of lateral phase separation in a two component material surface. The resulting fourth order nonlinear PDE can be seen as a Cahn-Hilliard equation posed on a time-dependent surface. Only elementary tangential…

Numerical Analysis · Mathematics 2020-03-18 Vladimir Yushutin , Annalisa Quaini , Maxim Olshanskii

This article focuses on the development of high-order energy stable schemes for the multi-length-scale incommensurate phase-field crystal model which is able to study the phase behavior of aperiodic structures. These high-order schemes…

Numerical Analysis · Mathematics 2020-08-31 Kai Jiang , Wei Si

This article focuses on the development of high-order energy stable schemes for the multi-length-scale incommensurate phase-field crystal model which is able to study the phase behavior of aperiodic structures. These high-order schemes…

Numerical Analysis · Mathematics 2020-05-26 Kai Jiang , Wei Si

The so-called method of phase synchronization has been advocated in a number of papers as a way of decoupling a system of linear second-order differential equations by a linear transformation of coordinates and velocities. This is a rather…

Differential Geometry · Mathematics 2022-03-11 W. Sarlet , T. Mestdag

We study the systematic numerical approximation of a class of Allen-Cahn type problems modeling the motion of phase interfaces. The common feature of these models is an underlying gradient flow structure which gives rise to a decay of an…

Numerical Analysis · Mathematics 2017-03-09 Anke Böttcher , Herbert Egger

Motivated by the idea of imposing paralleling computing on solving stochastic differential equations (SDEs), we introduce a new Domain Decomposition Scheme to solve forward-backward stochastic differential equations (FBSDEs) parallely. We…

Numerical Analysis · Mathematics 2010-08-03 Minh-Binh Tran

We propose a primal-dual parallel proximal splitting method for solving domain decomposition problems for partial differential equations. The problem is formulated via minimization of energy functions on the subdomains with coupling…

Numerical Analysis · Mathematics 2014-10-17 Hédy Attouch , Luis M. Briceño-Arias , Patrick L. Combettes