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This paper reviews the status of molecular dynamics as a method in describing solid-solid phase transitions, and its relationship to continuum approaches. Simulation work done in NiTi and Zr using first principles and semi-empirical…

Materials Science · Physics 2007-05-23 G. J. Ackland

We investigate acoustic emission (AE) that arises during the martensitic transition in a polycrystalline specimen of the prototypical superelastic/elastocaloric alloy Ni$_{50.4}$Ti$_{49.6}$ (at. %) driven using tensile strain. We use two…

The impact of shear deformation in $(1\,0\,1)[1\,0\,\bar{1}]$ system of non-modulated (NM) martensite in Ni$_2$MnGa ferromagnetic shape memory alloy is investigated by means of ab initio atomistic simulations. The shear system is associated…

Materials Science · Physics 2024-11-11 Martin Heczko , Petr Šesták , Hanuš Seiner , Martin Zelený

Elastic and dissipative properties of a NiTi shape memory alloy have been studied in both the martensite and austenite phases, using the free-decay of a vibrating Nitinol wire. The influence of air was estimated from a martensite…

General Physics · Physics 2007-05-23 Randall D. Peters

Heusler alloys that undergo martensitic transformation in ferromagnetic state are of increasing scientific and technological interest. These alloys show large magnetic field induced strains upon martensitic phase change thus making it a…

Materials Science · Physics 2009-11-13 P. A. Bhobe , K. R. Priolkar , P. R. Sarode

We use variable-temperature x-ray thermal diffuse scattering and inelastic scattering to investigate the lattice dynamics in single crystals of multiferroic CaMn7O12 which undergo a series of orbital and magnetic transitions at low…

Strongly Correlated Electrons · Physics 2016-11-24 S. M. Souliou , Y. Li , X. Du , M. Le Tacon , A. Bosak

The dynamical electric behavior of a NiTi smart alloy thin filament when driven by time varying current pulses is studied by a structure-based phenomenological model that includes rate-based effects. The simulation model relates the alloy's…

In this paper, we present temperature and field dependent neutron diffraction (ND) study to unravel the structural and the magnetic properties in Ni50Mn38Sb12 Heusler system. This alloy shows martensitic transition from high temperature…

Materials Science · Physics 2017-02-06 Roshnee Sahoo , Amitabh Das , Norbert Stuesser , K. G. Suresh

Martensitic and magnetic properties of ferromagnetic shape memory alloys are known to depend up on structural modulations and associated changes in the Fermi surface. These modulations although periodic and spanning over multiple unit…

Materials Science · Physics 2008-04-24 K. R. Priolkar , P. A. Bhobe , P. R. Sarode

We investigate the dynamical structure factor associated with lattice fluctuations in a model that approximates the manganites. It involves electrons strongly coupled to core spins, and to lattice distortions, in a weakly disordered…

Strongly Correlated Electrons · Physics 2018-06-19 Sauri Bhattacharyya , Saurabh Pradhan , Pinaki Majumdar

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

This paper presents a comparative study between two micro-macro modeling approaches to simulate stress-induced martensitic transformation in shape memory alloys (SMA). One model is a crystal plasticity based model and the other describes…

Classical Physics · Physics 2019-06-20 Mame Fall , Etienne Patoor , Olivier Hubert , K Lavernhe -Taillard

We have performed extensive ab initio calculations to investigate phonon dynamics and their possible role in superconductivity in BaFe2As2 and related systems. The calculations are compared to inelastic neutron scattering data that offer…

Superconductivity · Physics 2009-11-13 M. Zbiri , H. Schober , M. R. Johnson , S. Rols , R. Mittal , Y. Su , M. Rotter , D. Johrendt

By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…

Materials Science · Physics 2022-01-04 Daniel Mutter , Peter Nielaba

Interacting Bosons, loaded in artificial lattices, have emerged as a modern platform to explore collective manybody phenomena, quantum phase transitions and exotic phases of matter as well as to enable advanced on chip simulators. Such…

Mesoscale and Nanoscale Physics · Physics 2025-12-15 Marco Dusel , Simon Betzold , Oleg A. Egorov , Sebastian Klembt , Jürgen Ohmer , Utz Fischer , Sven Höfling , Christian Schneider

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…

A series of first principles calculations have been carried out in order to discuss electronic structure, phonon dynamics, structural instabilities and the nature of martensitic transformations of the Heusler alloys Ni$_2$Mn(Ga, Ge, Al) and…

Materials Science · Physics 2009-11-10 A. T. Zayak , P. Entel

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

Shape memory alloys are a class of ferroic materials which undergo a structural (martensitic) transition where the associated ferroic property is a lattice distortion (strain). The sensitiveness of the transition to the conjugated external…

Materials Science · Physics 2016-09-28 Lluis Manosa , Antoni Planes

Martensites are materials that undergo diffusionless, solid-state transitions. The martensitic transition yields properties that depend on the history of the material and may allow it to recover its previous shape after plastic deformation.…