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We propose a variational principle combining a phase-field functional for structural topology optimization with a mixed (three-field) Hu-Washizu functional, then including directly in the formulation equilibrium, constitutive, and…

Numerical Analysis · Mathematics 2021-03-02 Michele Marino , Ferdinando Auricchio , Alessandro Reali , Elisabetta Rocca , Ulisse Stefanelli

Lattice dynamical methods used to predict phase-transformations in crystals typically evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the…

Materials Science · Physics 2015-05-18 Petros Souvatzis , Dominik Legut , Olle Eriksson , Mikhail I. Katsnelson

A robust method to handle vacuum and near vacuum regions in hybrid simulations for space and astrophysical plasmas is presented. The conventional hybrid simulation model dealing with kinetic ions and a massless charge-neutralizing electron…

Plasma Physics · Physics 2015-06-22 Takanobu Amano , Katsuaki Higashimori , Keisuke Shirakawa

A new homogenization approach for the simulation of multi-phase flows in heterogeneous porous media is presented. It is based on the lattice Boltzmann method and combines the grayscale with the multi-component Shan-Chen method. Thus, it…

The martensitic transformation in NiTi-based Shape Memory Alloys (SMAs) provides a basis for shape memory effect and superelasticity, thereby enabling applications requiring solid-state actuation and large recoverable shape changes upon…

We present a load balancing strategy for hybrid particle-mesh methods that is based on domain decomposition and element-local time measurement. This new strategy is compared to our previous approach, which assumes a constant weighting…

Computational Physics · Physics 2018-11-14 P. Ortwein , T. Binder , S. Copplestone , A. Mirza , P. Nizenkov , M. Pfeiffer , C. -D. Munz , S. Fasoulas

In this work, we study shape optimization problems in the Stokes flows. By phase-field approaches, the resulted total objective function consists of the dissipation energy of the fluids and the Ginzburg--Landau energy functional as a…

Numerical Analysis · Mathematics 2022-07-13 Futuan Li , Jiang Yang

As the design of single-component battery electrodes has matured, the battery industry has turned to hybrid electrodes with blends of two or more active materials to enhance battery performance. Leveraging the best properties of each…

Materials Science · Physics 2023-05-26 Qiaohao Liang , Martin Z. Bazant

This work presents a three-dimensional constitutive model for the martensitic transformation in polycrystalline Shape Memory Alloys (SMAs) under large deformation. By utilizing the logarithmic strain and rate, the model is able to account…

Materials Science · Physics 2019-09-04 Lei Xu , Theocharis Baxevanis , Dimitris Lagoudas

The present contribution proposes a thermodynamically consistent model for the simulation of the ductile damage. The model couples the phase field method of fracture to the Armstrong-Frederick plasticity model with kinematic hardening. The…

Materials Science · Physics 2021-06-07 Serhat Aygün , Tillmann Wiegold , Sandra Klinge

Microstructures forming during ternary eutectic directional solidification processes have significant influence on the macroscopic mechanical properties of metal alloys. For a realistic simulation, we use the well established…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-05 Martin Bauer , Johannes Hötzer , Philipp Steinmetz , Marcus Jainta , Marco Berghoff , Florian Schornbaum , Christian Godenschwager , Harald Köstler , Britta Nestler , Ulrich Rüde

We present a hybrid method combining a minimizing movement scheme with neural operators for the simulation of phase field-based Willmore flow. The minimizing movement component is based on a standard optimization problem on a regular grid…

Numerical Analysis · Mathematics 2026-02-12 Martin Rumpf , Josua Sassen , Christoph Smoch

We present a hybrid numerical approach to simulate quantum many body problems on two spatial dimensional quantum lattice models via the non-Abelian ab initio version of the density matrix renormalization group method on state-of-the-art…

Strongly Correlated Electrons · Physics 2024-06-05 Andor Menczer , Kornél Kapás , Miklós Antal Werner , Örs Legeza

Phase change memory has been developed into a mature technology capable of storing information in a fast and non-volatile way, with potential for neuromorphic computing applications. However, its future impact in electronics depends…

Structural phase transitions serve as the basis for many functional applications including shape memory alloys (SMAs), switches based on metal-insulator transitions (MITs), etc. In such materials, lattice incompatibility between phases…

Incorporating the concept of order parameter of the mean-field theory into the simulated annealing method, we presented a new optimization algorithm, the guided simulated annealing method. In this method mean-field order parameters are…

Statistical Mechanics · Physics 2009-11-10 C. I. Chou , R. S. Han , S. P. Li , T. K. Lee

Shape optimization is a challenging task in many engineering fields, since the numerical solutions of parametric system may be computationally expensive. This work presents a novel optimization procedure based on reduced order modeling,…

Numerical Analysis · Mathematics 2018-11-07 Nicola Demo , Marco Tezzele , Gianluca Gustin , Gianpiero Lavini , Gianluigi Rozza

By constructing a Landau-like energy functional, we investigate the molecular organization of a three-component mixture in cell membranes. In the strongly interacting limit, we model the interaction between molecules using pseudospin…

Biological Physics · Physics 2020-05-12 Austin Osby , Theja N. De Silva

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

Quantum algorithms based on the variational principle have found applications in diverse areas with a huge flexibility. But as the circuit size increases the variational landscapes become flattened, causing the so-called Barren plateau…

Quantum Physics · Physics 2025-09-03 Fabio Tarocco , Davide Materia , Leonardo Ratini , Leonardo Guidoni