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The paper is devoted to the study of a mathematical model for the thermomechanical evolution of metallic shape memory alloys. The main novelty of our approach consists in the fact that we include the possibility for these materials to…

Analysis of PDEs · Mathematics 2014-01-10 Michel Fremond , Elisabetta Rocca

This paper presents a novel phase-field-based methodology for solving minimum compliance problems in topology optimization under fixed external loads and body forces. The proposed framework characterizes the optimal structure through an…

Optimization and Control · Mathematics 2025-07-23 Huangxin Chen , Piaopiao Dong , Dong Wang , Xiao-Ping Wang

We developed a general framework for simulating multicomponent and multiphase systems using the lattice Boltzmann framework. Despite the fact that there is no restriction on the number of components in principle, in this article we focus an…

Soft Condensed Matter · Physics 2018-10-24 Kent S. Ridl , Alexander J. Wagner

We present an extension of the PatchworkMHD code [1], itself an MHD-capable extension of the Patchwork code [2], for which several algorithms presented here were co-developed. Its purpose is to create a multipatch scheme compatible with…

We present a new phase field framework for modelling fracture and fatigue in Shape Memory Alloys (SMAs). The constitutive model captures the superelastic behaviour of SMAs and damage is driven by the elastic and transformation strain energy…

Computational Engineering, Finance, and Science · Computer Science 2020-12-02 Marlini Simoes , Emilio Martínez-Pañeda

Phase retrieval problems involve solving linear equations, but with missing sign (or phase, for complex numbers) information. More than four decades after it was first proposed, the seminal error reduction algorithm of (Gerchberg and Saxton…

Machine Learning · Statistics 2015-06-15 Praneeth Netrapalli , Prateek Jain , Sujay Sanghavi

Direct experimental characterization of indentation-induced martensitic microstructures in pseudoelastic shape memory alloys (SMAs) is not possible, and thus there is a lack of evidence and understanding regarding the microstructure pattern…

Computational Physics · Physics 2023-04-26 Mohsen Rezaee-Hajidehi , Karel Tůma , Stanisław Stupkiewicz

Shape memory alloys (SMAs) exhibit hysteresis behaviors upon stress and temperature induced loadings. In this contribution, we focus on numerical simulations of microstructure evolution of cubic-to-tetragonal martensitic phase…

Materials Science · Physics 2014-03-25 R. Dhote , H. Gomez , R. Melnik , J. Zu

We present a hybrid mimetic finite-difference and virtual element formulation for coupled single-phase poromechanics on unstructured meshes. The key advantage of the scheme is that it is convergent on complex meshes containing highly…

Numerical Analysis · Mathematics 2021-06-09 Andrea Borio , François Hamon , Nicola Castelletto , Joshua A. White , Randolph R. Settgast

Flat histogram methods, such as Wang--Landau sampling, provide a means for high-throughput calculation of phase diagrams of atomistic/lattice model systems. Many parallelisation schemes with varying degrees of complexity have been proposed…

Computational Physics · Physics 2026-03-11 Hubert J. Naguszewski , Christopher D. Woodgate , David Quigley

Engineering alloys generally exhibit multi-phase microstructures. For simulating their microstructure evolution during solid-state phase transformation, CALPHAD-guided multi-phase-field models coupled with micro-mechanics have proven to be…

Materials Science · Physics 2023-01-05 Sourav Chatterjee , Daniel Schwen , Nele Moelans

A self-consistent model for the simulation of Ge-rich Ge$_2$Sb$_2$Te$_5$ phase change memories is presented. Combining the multi-phase field model and a phase-aware electro-thermal solver, it reproduces the multi-physics behavior of the…

Materials Science · Physics 2023-09-08 Robin Miquel , Thomas Cabout , Olga Cueto , Benoît Sklénard , Mathis Plapp

A high-performance implementation of a multiphase lattice Boltzmann method based on the conservative Allen-Cahn model supporting high-density ratios and high Reynolds numbers is presented. Metaprogramming techniques are used to generate…

Fluid Dynamics · Physics 2020-12-14 Markus Holzer , Martin Bauer , Ulrich Rüde

By means of the multicomponent Shan-Chen lattice Boltzmann method (LBM), we investigate the multiphase flow through porous media. Despite the excellent accuracy of the LBM, large domains result in unaffordable computational expenses. The…

Computational Physics · Physics 2019-06-12 Eduard Puig Montellà , Chao Yuan , Bruno Chareyre , Antonio Gens

This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical…

Computational Engineering, Finance, and Science · Computer Science 2021-09-07 Sebastian D. Proell , Wolfgang A. Wall , Christoph Meier

In this paper, a hybrid quasi-static atomistic simulation method at finite temperature is developed, which combines the advantages of MD for thermal equilibrium and atomic-scale finite element method (AFEM) for efficient equilibration. Some…

Atomic Physics · Physics 2015-06-17 Ran Xu , Bin Liu

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

We present a multi-phase design parameterization to obtain optimized heterogeneous lattice structures. The 3D domain is discretized into a cubical grid wherein each cube has eight distinct unit cell types or phases. When all phases are…

Materials Science · Physics 2021-03-04 Yash Agrawal , G. K. Ananthasuresh

The method and the advantages of an evolutionary computing based approach using a steady state genetic algorithm (GA) for the parameterization of interatomic potentials for metal oxides within the shell model framework are developed and…

Materials Science · Physics 2013-06-06 Jose Solomon , Peter Chung , Deepak Srivastava , Eric Darve

We present the results of a quantitative study of the phase behavior of a model polymer chain with side spheres using two independent computer simulation techniques. We find that the mere addition of side spheres results in key…

Soft Condensed Matter · Physics 2021-08-04 Tatjana Škrbić , Trinh Xuan Hoang , Achille Giacometti , Amos Maritan , Jayanth R. Banavar