Mechanical properties and twin boundary drag in Fe-Pd ferromagnetic shape memory foils-experiments and ab initio modeling

We report on vibrating reed measurements combined with density functional theory-based calculations to assess the elastic and damping properties of Fe-Pd ferromagnetic shape memory alloy splats. While the austenite-martensite phase transformation is generally accompanied by lattice softening, a severe modulus defect and elevated damping behavior are characteristic of the martensitic state. We interpret the latter in terms of twin boundary motion between pinning defects via partial 'twinning' dislocations. Energy dissipation is governed by twin boundary drag, primarily due to lattice imperfections, as concluded from the temperature dependence of damping and related activation enthalpies

Dynamics and diffusive-conformational coupling in polymer bulk samples and surfaces: A molecular dynamics study

The impact of free surfaces on the mobility and conformational fluctuations of model polymer chains is investigated with the help of classical molecular dynamics simulations over a broad temperature range. Below a critical temperature, T *, similar to the critical temperature of the mode coupling theory, the center-of-mass displacements and temporal fluctuations of the radius of gyration of individual chains-as a fingerprint of structural reconfigurations-reveal a strong enhancement close to surfaces, while this effect diminishes with increasing temperature and observation time. Interpreting conformational fluctuations as a random walk in conformational space, identical activation enthalpies for structural reconfigurations and diffusion are obtained within the error bars in the bulk and at the surfaces, thus indicating a coupling of diffusive and conformational dynamics. © IOP Publishing Ltd. and Deutsche Physikalische Gesellschaft

Contractile cell forces deform macroscopic cantilevers and quantify biomaterial performance

Cells require adhesion to survive, proliferate and migrate, as well as for wound healing and many other functions. The strength of contractile cell forces on an underlying surface is a highly relevant quantity to measure the affinity of cells to a rigid surface with and without coating. Here we show with experimental and theoretical studies that these forces create surface stresses that are sufficient to induce measurable bending of macroscopic cantilevers. Since contractile forces are linked to the formation of focal contacts, results give information on adhesion promoting qualities and allow a comparison of very diverse materials. In exemplary studies, in vitro fibroblast adhesion on the magnetic shape memory alloy Fe–Pd and on the L-lysine derived plasma-functionalized polymer PPLL was determined. We show that cells on Fe–Pd are able to induce surface stresses three times as high as on pure titanium cantilevers. A further increase was observed for PPLL, where the contractile forces are four times higher than on the titanium reference. In addition, we performed finite element simulations on the beam bending to back up the calculation of contractile forces from cantilever bending under non-homogenous surface stress. Our findings consolidate the role of contractile forces as a meaningful measure of biomaterial performance

Topography evolution of germanium thin films synthesized by pulsed laser deposition

Germanium thin films were deposited by Pulsed Laser Deposition (PLD) onto single crystal Ge (100) and Si (100) substrates with a native oxide film on the surface. The topography of the surface was investigated by Atomic Force Microscopy (AFM) to evaluate the scaling behavior of the surface roughness of amorphous and polycrystalline Ge films grown on substrates with different roughnesses. Roughness evolution was interpreted within the framework of stochastic rate equations for thin film growth. Here the Kardar-Parisi-Zhang equation was used to describe the smoothening process. Additionally, a roughening regime was observed in which 3-dimensional growth occurred. Diffusion of the deposited Ge adatoms controlled the growth of the amorphous Ge thin films. The growth of polycrystalline thin Ge films was dominated by diffusion processes only in the initial stage of the growth

Mechanisms of stress generation and relaxation during pulsed laser deposition of epitaxial Fe-Pd magnetic shape memory alloy films on MgO

Mechanical stress generation during epitaxial growth of Fe–Pd thin films on MgO from pulsed laser deposition is a key parameter for the suitability in shape memory applications. By employing in situ substrate curvature measurements, we determine the stress states as a function of film thickness and composition. Depending on composition, different stress states are observed during initial film growth, which can be attributed to different misfits. Compressive stress generation by atomic peening is observed in the later stages of growth. Comparison with ex situ x-ray based strain measurements allows integral and local stress to be distinguished and yields heterogeneities of the stress state between coherent and incoherent regions. In combination with cross-sectional TEM measurements the relevant stress relaxation mechanism is identified to be stress-induced martensite formation with (111) twinning

Ion-irradiation-assisted tuning of phase transformations and physical properties in single crystalline Fe7Pd3ferromagnetic shape memory alloy thin films

Control of multi-martensite phase transformations and physical properties constitute greatly unresolved challenges in Fe7Pd3-based ferromagnetic shape memory alloys. Single crystalline Fe7Pd3 thin films reveal an austenite to martensite phase transformation, continuously ranging from the face-centered cubic (fcc) to the face-centered tetragonal (fct) and body-centered cubic (bcc) phases upon irradiation with 1.8 MeV Kr+ ions. Within the present contribution, we explore this scenario within a comprehensive experimental study: employing atomic force microscopy (AFM) and high resolution transmission electron microscopy (HR-TEM), we first clarify the crystallography of the ion-irradiation-induced austenite $\Rightarrow$ martensite and inter-martensite transitions, explore the multi-variant martensite structures with c-a twinning and unravel a very gradual transition between variants at twin boundaries. Accompanying magnetic properties, addressed locally and globally, are characterized by an increasing saturation magnetization from fcc to bcc, while coercivity and remanence are demonstrated to be governed by magnetocrystalline anisotropy and ion-irradiation-induced defect density, respectively. Based on reversibility of ion-irradiation-induced materials changes due to annealing treatment and a conversion electron Mößbauer spectroscopy (CEMS) study to address changes in order, a quantitative defect-based physical picture of ion-irradiation-induced austenite ⇔ martensite transformation in Fe7Pd3 is developed. The presented concepts thus pave the way for ion-irradiation-assisted optimization strategies for tailored functional alloys

Ion-irradiation-assisted tuning of phase transformations and physical properties in single crystalline Fe₇Pd₃ ferromagnetic shape memory alloy thin films

Control of multi-martensite phase transformations and physical properties constitute greatly unresolved challenges in Fe7Pd3-based ferromagnetic shape memory alloys. Single crystalline Fe7Pd3 thin films reveal an austenite to martensite phase transformation, continuously ranging from the facecentered cubic (fcc) to the face-centered tetragonal (fct) and body-centered cubic (bcc) phases upon irradiation with 1.8 MeV Kr+ ions. Within the present contribution, we explore this scenario within a comprehensive experimental study: employing atomic force microscopy (AFM) and high resolution transmission electron microscopy (HR-TEM), we first clarify the crystallography of the ionirradiation-induced austenite⇒martensite and inter-martensite transitions, explore the multivariant martensite structures with c-a twinning and unravel a very gradual transition between variants at twin boundaries. Accompanying magnetic properties, addressed locally and globally, are characterized by an increasing saturation magnetization from fcc to bcc, while coercivity and remanence are demonstrated to be governed by magnetocrystalline anisotropy and ion-irradiationinduced defect density, respectively. Based on reversibility of ion-irradiation-induced materials changes due to annealing treatment and a conversion electron Mößbauer spectroscopy (CEMS) study to address changes in order, a quantitative defect-based physical picture of ion-irradiation-induced austenite⇔martensite transformation in Fe7Pd3 is developed. The presented concepts thus pave the way for ion-irradiation-assisted optimization strategies for tailored functional alloys

Structural defects in Fe-Pd-based ferromagnetic shape memory alloys: Tuning transformation properties by ion irradiation and severe plastic deformation

Fe-Pd-based ferromagnetic shape memory alloys constitute an exciting class of magnetically switchable smart materials that reveal excellent mechanical properties and biocompatibility. However, their application is severely hampered by a lack of understanding of the physics at the atomic scale. A many-body potential is presented that matched ab inito calculations and can account for the energetics of martensite ↔ austenite transition along the Bain path and relative phase stabilities in the ordered and disordered phases of Fe-Pd. Employed in massively parallel classical molecular dynamics simulations, the impact of order/disorder, point defects and severe plastic deformation in the presence of single- and polycrystalline microstructures are explored as a function of temperature. The model predictions are in agreement with experiments on phase changes induced by ion irradiation, cold rolling and hammering, which are also presented

Nanoscale mechanical surface properties of single crystalline martensitic Ni-Mn-Ga ferromagnetic shape memory alloys

Located beyond the resolution limit of nanoindentation, contact resonance atomic force microscopy (CR-AFM) is employed for nano-mechanical surface characterization of single crystalline 14M modulated martensitic Ni-Mn-Ga (NMG) thin films grown by magnetron sputter deposition on (001) MgO substrates. Comparing experimental indentation moduli-obtained with CR-AFM-with theoretical predictions based on density functional theory (DFT) indicates the central role of pseudo plasticity and inter-martensitic phase transitions. Spatially highly resolved mechanical imaging enables the visualization of twin boundaries and allows for the assessment of their impact on mechanical behavior at the nanoscale. The CR-AFM technique is also briefly reviewed. Its advantages and drawbacks are carefully addressed

Epitaxial growth and stress relaxation of vapor-deposited Fe-Pd magnetic shape memory films

To achieve maximum performance in microscale magnetic shape memory actuation devices epitaxial films several hundred nanometers thick are needed. Epitaxial films were grown on hot MgO substrates (500 °C and above) by e-beam evaporation. Structural properties and stress relaxation mechanisms were investigated by high-resolution transmission electron microscopy, in situ substrate curvature measurements and classical molecular dynamics (MD) simulations. The high misfit stress incorporated during Vollmer-Weber growth at the beginning was relaxed by partial or perfect dislocations depending on the substrate temperature. This relaxation allowed the avoidance of a stressinduced breakdown of epitaxy and no thickness limit for epitaxy was found. For substrate temperatures of 690 °C or above, the films grew in the fee austenite phase. Below this temperature, iron precipitates were formed. MD simulations showed how these precipitates influence the movements of partial dislocations, and can thereby explain the higher stress level observed in the experiments in the initial stage of growth for these films. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft