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Coherent manipulation of lattice vibrations using ultrafast light pulses enables access to nonequilibrium 'hidden' phases with designed functionalities in quantum materials. However, expanding the understanding of nonlinear light-phonon…

In this paper, a macroscopic three dimensional non-isothermal model is proposed to describe hysteresis phenomena and phase transformations in shape memory alloys (SMAs). The model is of phase-field type and is based on the Ginzburg-Landau…

Materials Science · Physics 2015-06-19 R. Dhote , M. Fabrizio , R. Melnik , J. Zu

The crystal structure and magnetoresponsive properties of Fe-doped MnCoGe alloys have been investigated using x-ray diffraction (XRD) and magnetic measurements. By alloying the Fe-containing isostructure compounds into MnCoGe, a…

Materials Science · Physics 2013-02-05 G. J. Li , E. K. Liu , H. G. Zhang , Y. J. Zhang , J. L. Chen , W. H. Wang , H. W. Zhang , G. H. Wu , S. Y. Yu

Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…

Materials Science · Physics 2023-12-12 Jin Zhang , Alexander F. Chadwick , Peter W. Voorhees

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

Materials that undergo internal transformations are usually described in solid mechanics by multi-well energy functions that account for both elastic and transformational behavior. In order to separate the two effects, physicists use…

Materials Science · Physics 2010-06-14 Yves-Patrick Pellegrini , Christophe Denoual , Lev Truskinovsky

This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…

Materials Science · Physics 2020-05-11 Arne Claus Hansen-Dörr , Franz Dammaß , René de Borst , Markus Kästner

We present adaptive finite element simulations of dendritic and eutectic solidification in binary and ternary alloys. The computations are based on a recently formulated phase-field model that is especially appropriate for modelling…

Materials Science · Physics 2009-11-10 Denis Danilov , Britta Nestler

We study, using molecular dynamics simulations, the kinetics of shape recovery in a model solid undergoing transformations from square to a general rhombic lattice, the triangular lattice being included as a special case. We determine the…

Materials Science · Physics 2009-11-13 Jayee Bhattacharya , Surajit Sengupta , Madan Rao

We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…

Materials Science · Physics 2015-06-12 Nana Ofori-Opoku , Vahid Fallah , Michael Greenwood , Shahrzad Esmaeili , Nikolas Provatas

An anisotropic metallic phase dubbed electronic nematic phase bounded by two consecutive metamagnetic transitions has been reported in the bilayer ruthenate Sr3Ru2O7. It has also been shown that the nematic and the accompanying metamagnetic…

Strongly Correlated Electrons · Physics 2015-05-14 Christoph M. Puetter , Jeffrey G. Rau , Hae-Young Kee

In this work we introduce a new system of partial differential equations as a simplified model for the evolution of reversible martensitic transformations under thermal cycling in low hysteresis alloys. The model is developed in the context…

Analysis of PDEs · Mathematics 2018-11-20 Francesco Della Porta

Femtosecond optical pulses at mid-infrared frequencies have opened up the nonlinear control of lattice vibrations in solids. So far, all applications have relied on second order phonon nonlinearities, which are dominant at field strengths…

Materials Science · Physics 2018-04-04 Alexander von Hoegen , Roman Mankowsky , Michael Fechner , Michael Först , Andrea Cavalleri

A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…

Materials Science · Physics 2011-07-28 Daniel A. Cogswell , W. Craig Carter

Physics of two-dimensional electron gases under perpendicular magnetic field often displays three distinct stages when increasing the field amplitude: a low field regime with classical magnetotransport, followed at intermediate field by a…

Mesoscale and Nanoscale Physics · Physics 2019-06-17 Thierry Champel , Serge Florens

The phase field crystal (PFC) method has emerged as a promising technique for modeling materials with atomistic resolution on mesoscopic time scales. The approach is numerically much more efficient than classical density functional theory…

Materials Science · Physics 2015-05-18 Michael Greenwood , Nikolas Provatas , Jörg Rottler

Empirical force fields employed in molecular dynamics simulations of complex systems can be optimised to reproduce experimentally determined structural and thermodynamic properties. In contrast, experimental knowledge about the rates of…

Statistical Mechanics · Physics 2022-07-12 P. G. Bolhuis , Z. F. Brotzakis , B. G. Keller

Amplitude representations of a binary phase field crystal model are developed for a two dimensional triangular lattice and three dimensional BCC and FCC crystal structures. The relationship between these amplitude equations and the standard…

Materials Science · Physics 2015-05-14 K. R. Elder , Zhi-Feng Huang , Nikolas Provatas

To model mechanically-driven phase transformations using the phase-field theory, suitable models are needed for describing the mechanical fields related to individual phase-fields in the interfacial regions. They play a crucial role in…

Numerical Analysis · Mathematics 2025-09-22 Mohammad Sarhil , Oleg Shchyglo , Hesham Salama , Dominik Brands , Ingo Steinbach , Jörg Schröder

We present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes…

Chemical Physics · Physics 2016-09-29 Shiva Rudraraju , Anton Van der Ven , Krishna Garikipati