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- ItemBuilding Hierarchical Martensite(Weinheim : Wiley-VCH, 2020) Schwabe, Stefan; Niemann, Robert; Backen, Anja; Wolf, Daniel; Damm, Christine; Walter, Tina; Seiner, Hanuš; Heczko, Oleg; Nielsch, Kornelius; Fähler, SebastianMartensitic materials show a complex, hierarchical microstructure containing structural domains separated by various types of twin boundaries. Several concepts exist to describe this microstructure on each length scale, however, there is no comprehensive approach bridging the whole range from the nano- up to the macroscopic scale. Here, it is described for a Ni-Mn-based Heusler alloy how this hierarchical microstructure is built from scratch with just one key parameter: the tetragonal distortion of the basic building block at the atomic level. Based on this initial block, five successive levels of nested building blocks are introduced. At each level, a larger building block is formed by twinning the preceding one to minimize the relevant energy contributions locally. This naturally explains the coexistence of different types of twin boundaries. The scale-bridging approach of nested building blocks is compared with experiments in real and reciprocal space. The approach of nested building blocks is versatile as it can be applied to the broad class of functional materials exhibiting diffusionless transformations. © 2020 The Authors. Advanced Functional Materials published by Wiley-VCH GmbH
- ItemPhase formation, thermal stability and mechanical properties of a Cu-Al-Ni-Mn shape memory alloy prepared by selective laser melting(São Carlos : Universidade Federal de São Carlos, 2015) Gargarella, Piter; Kiminami, Cláudio Shyinti; Mazzer, Eric Marchezini; Cava, Régis Daniel; Basilio, Leonardo Albuquerque; Bolfarini, Claudemiro; Botta, Walter José; Eckert, Jürgen; Gustmann, Tobias; Pauly, SimonSelective laser melting (SLM) is an additive manufacturing process used to produce parts with complex geometries layer by layer. This rapid solidification method allows fabricating samples in a non-equilibrium state and with refined microstructure. In this work, this method is used to fabricate 3 mm diameter rods of a Cu-based shape memory alloy. The phase formation, thermal stability and mechanical properties were investigated and correlated. Samples with a relative density higher than 92% and without cracks were obtained. A single monoclinic martensitic phase was formed with average grain size ranging between 28 to 36 μm. The samples exhibit a reverse martensitic transformation temperature around 106 ± 2 °C and a large plasticity in compression (around 15±1%) with a typical “double-yielding” behaviour.
- ItemHow to grow single-crystalline and epitaxial NiTi films in (100)- and (111)-orientation(Bristol : IOP Publishing, 2023) Lünser, Klara; Undisz, Andreas; Nielsch, Kornelius; Fähler, SebastianUnderstanding the martensitic microstructure in nickel-titanium (NiTi) thin films helps to optimize their properties for applications in microsystems. Epitaxial and single-crystalline films can serve as model systems to understand the microstructure, as well as to exploit the anisotropic mechanical properties of NiTi. Here, we analyze the growth of NiTi on single-crystalline MgO(100) and Al2O3(0001) substrates and optimize film and buffer deposition conditions to achieve epitaxial films in (100)- and (111)-orientation. On MgO(100), we compare the transformation behavior and crystal quality of (100)-oriented NiTi films on different buffer layers. We demonstrate that a vanadium buffer layer helps to decrease the low-angle grain boundary density in the NiTi film, which inhibits undesired growth twins and leads to higher transformation temperatures. On Al2O3(0001), we analyze the orientation of a chromium buffer layer and find that it grows (111)-oriented only in a narrow temperature range around 500 ∘C. By depositing the Cr buffer below the NiTi film, we can prepare (111)-oriented, epitaxial films with transformation temperatures above room temperature. Transmission electron microscopy confirms a martensitic microstructure with Guinier Preston-zone precipitates at room temperature. We identify the deposition conditions to approach the ideal single crystalline state, which is beneficial for the analysis of the martensitic microstructure and anisotropic mechanical properties in different film orientations.
- ItemWhat is the speed limit of martensitic transformations?(Abingdon : Taylor & Francis, 2022) Schwabe, Stefan; Lünser, Klara; Schmidt, Daniel; Nielsch, Kornelius; Gaal, Peter; Fähler, SebastianStructural martensitic transformations enable various applications, which range from high stroke actuation and sensing to energy efficient magnetocaloric refrigeration and thermomagnetic energy harvesting. All these emerging applications benefit from a fast transformation, but up to now their speed limit has not been explored. Here, we demonstrate that a thermoelastic martensite to austenite transformation can be completed within 10 ns. We heat epitaxial Ni-Mn-Ga films with a nanosecond laser pulse and use synchrotron diffraction to probe the influence of initial temperature and overheating on transformation rate and ratio. We demonstrate that an increase in thermal energy drives this transformation faster. Though the observed speed limit of 2.5 × 1027 (Js)1 per unit cell leaves plenty of room for further acceleration of applications, our analysis reveals that the practical limit will be the energy required for switching. Thus, martensitic transformations obey similar speed limits as in microelectronics, as expressed by the Margolus–Levitin theorem.
- ItemA molecular dynamics view of hysteresis and functional fatigue in martensitic transformations(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Kastner, Oliver; Ackland, Graeme J.; Eggeler, Gunther; Weiss, WolfShape memory alloys (SMA) exhibit a number of features which are not easily explained by equilibrium thermodynamics, including hysteresis in the phase transformation and ?reverse? shape memory in the high symmetry phase. Processing can change these features: repeated cycling can ?train? the reverse shape memory effect, while changing the amount of hysteresis and other functional properties. These effects are likely to be due to creation of persistent localised defects, which are impossible to study using non-atomistic methods. Here we present a molecular dynamics simulation study of this behaviour. To ensure the largest possible system size, we use a two dimensional binary Lennard-Jones model, which represents a reliable qualitative model system for martensite/austenite transformations. The evolution of the defect structure and its excess energy is investigated in simulations of cyclic transformation/ reverse transformation processes with 160,000 atoms. The simulations show that the transformation proceeds by non-diffusive nucleation and growth processes and produces distinct microstructure. Upon transformation, lattice defects are generated which affect subsequent transformations and vary the potential energy landscape of the sample. Some of the defects persist through the transformation, providing nucleation centres for subsequent cycles. Such defects may provide a memory of previous structures, and thereby may be the basis of a reversible shape memory effect.
- ItemOptimal control for shape memory alloys of the one-dimensional Frémond model(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Colli, Pierluigi; Farshbaf Shaker, Mohammad Hassan; Shirakawa, Ken; Yamazaki, NoriakiIn this paper, we consider optimal control problems for the one-dimensional Frémond model for shape memory alloys. This model is constructed in terms of basic functionals like free energy and pseudo-potential of dissipation. The state problem is expressed by a system of partial differential equations involving the balance equations for energy and momentum. We prove the existence of an optimal control that minimizes the cost functional for a nonlinear and nonsmooth state problem. Moreover, we show the necessary condition of the optimal pair by using optimal control problems for approximating systems.
- ItemGradient polyconvexity and modeling of shape memory alloys(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Horák, Martin; Kružík, Martin; Pelech, Petr; Schlömerkemper, AnjaWe show existence of an energetic solution to a model of shape memory alloys in which the elastic energy is described by means of a gradient-polyconvex functional. This allows us to show existence of a solution based on weak continuity of nonlinear minors of deformation gradients in Sobolev spaces. Admissible deformations do not necessarily have integrable second derivatives. Under suitable assumptions, our model allows for solutions which are orientation-preserving and globally injective everywhere in the domain representing the specimen. Theoretical results are supported by three-dimensional computational examples. This work is an extended version of [36].