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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A review of computational modeling techniques in study and design of shape memory ceramics

Shape memory ceramics are a unique family of shape memory materials with a wide variety of applications, such as ultra-high energy dissipation and high-temperature actuation. Along with significant progress in the experimental study of zirconia-based shape memory ceramics in recent years, computational simulations have exhibited powerful capabilities in revealing nano/microstructure-dependent deformation and failure mechanisms in these materials. In this work, we review the recent progress in understanding the phase transformation behavior in shape memory ceramics, focusing on computational modeling of zirconia-based ceramics. Electronic structure calculations have provided new data on the phase stability and surface properties of shape memory ceramics. At the nanometer length scale, molecular dynamics simulations have captured fundamental information about martensitic phase transformation and the effects of grain boundaries and defects on mechanical response of bi- and polycrystalline zirconia-based ceramics. At the micrometer length scale, advanced phase-field models have shown the ability to predict morphological evolution of microstructures and the corresponding mechanical responses in good agreement with experimental observations. Despite the recent multiscale computational advancements, further developments are required to establish processing-structure-property-performance relations that will lead to reliable and practical strategies for designing zirconia-based (or other) ceramics with improved and sustained shape memory responses. This article critically reviews current computational modeling techniques and provides an outlook for the study and design of the next generation of shape memory ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nanoscale self-healing mechanisms in shape memory ceramics

Abstract Shape memory ceramics, such as yttria-stabilized tetragonal zirconia (YSTZ), offer unique properties including ultra-high operating temperatures and high resistance to oxidation. However, they are susceptible to formation of defects during manufacturing and/or by mechanical deformation. To completely take advantage of their shape memory properties, it is necessary to fully understand the nano-structural evolution of defects under external stimuli. In this study, defect evolution behaviors in YSTZ nanopillars are investigated by atomistic simulations. Two characteristic orientations of $$\left[ {01\bar 1} \right]$$ 01 1 ¯ and [001] are selected to represent the dominant deformation mechanisms of phase transformation and dislocation migration, respectively. Volume expansion associated with the tetragonal to monoclinic phase transformation is observed to promote healing of crack and void. Atom stress analyses reveal stress concentrations along the newly formed monoclinic phase bands. A critical crack width is identified, less than which the crack can be fully closed in compression. For [001]-oriented YSTZ nanopillars, dislocation migration leads to formations of an amorphous phase, which also assist the crack and void closure process. The revealed crack/void healing mechanisms may provide a path for mitigating internal defects that influences the mechanical properties and deformation mechanisms of shape memory ceramics.

Zhang, Ning (ORCID:0000000240661837)↗
DOE OSTI2020

Intrinsic two-way shape memory effect in a Ni-Mn-Sn metamagnetic shape memory microwire

We report an intrinsic two-way shape memory effect with a fully recoverable strain of 1.0% was achieved in an as-prepared Ni 50 Mn 37.5 Sn 12.5 metamagnetic shape memory microwire fabricated by Taylor-Ulitovsky method. This two-way shape memory effect is mainly owing to the internal stress caused by the retained martensite in austenite matrix, as revealed by transmission electron microscopy observations and high-energy X-ray diffraction experiments. After superelastic training for 30 loading/unloading cycles at room temperature, the amount of retained martensite increased and the recoverable strain of two-way shape memory effect increased significantly to 2.2%. Furthermore, a giant recoverable strain of 11.2% was attained under a bias stress of 300 MPa in the trained microwire. These properties confer this microwire great potential for micro-actuation applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A Two-Way Shape Memory Study on Ni-Rich NiTi Shape Memory Alloy by Combination of the All-Round Treatment and the R-Phase Transformation

Ni{sub 4}Ti{sub 3} precipitates are formed in Ni-rich NiTi shape memory alloys (SMAs) after a certain heat treatment. Such a treatment then results in the changed phase transformation behavior of the alloy switching from the one-step reversible phase change B2 ↔ B19′ to the two-step, B2 ↔ R ↔ B19′, phase change. The present study reports a two-way shape memory (TWSM) due to an all-round treatment followed by an R-phase constraint aging at room temperature. The enhanced TWSM behavior was observed upon temperature cycling between 273 K (R-phase) and 77 K (B19′ phase). The effect of various constraint strains in R-phase aging by employing different diameters of the constraint ring was studied. However, the TWSM effect due to constraining the R-phase will be eliminated after a temperature rise of specimen to the fully parent phase (373 K).

36 MATERIALS SCIENCE↗
DOE OSTI2020

The microstructure of a selective laser melting (SLM)-fabricated NiTi shape memory alloy with superior tensile property and shape memory recoverability

A selective laser melting (SLM)-fabricated NiTi with superior tensile property and shape memory recoverability was obtained by using a unique stripe rotation scanning strategy. Here, the alloy characteristics, formation mechanisms and evolution in terms of twins, dislocations and precipitations of the alloy were systematically studied. Compared to the conventional smelting-followed-by-machining, the SLM fabrication process involves rapid solidification and repeated heating, which confer distinctive characteristics to the microstructures of SLM-fabricated NiTi alloys. Rapid solidification promotes the formation of a supersaturation solid solution matrix containing a high concentration vacancies, which in turn aggregate to generate a high density of dislocations. During subsequent repeated heating stages, these dislocations occur thermal motion along three directions of <001 > , <111> and <110 >, leading to the formation of thermal kinks, helical dislocations and wave morphology. Simultaneously, precipitated particles Ti 3 Ni 4 repeatedly nucleate and heterogeneous grow with the movement of dislocation. Such precipitation behavior, termed repeated precipitation, has not been previously reported in the conventional NiTi alloys, suggesting that it could be a unique characteristic of such alloy. After martensitic transformation, only two twins, {1 1¯ 1} type I twin and compound twin, are detected. The twinning lamellae of these two twins, where precipitation and dislocation pile-ups exist, often have uneven thickness and chaotic arrangement. Besides, the unique self-accommodated microstructures, such as secondary {1 1¯ 1} type I twin and compound twin with “herring-bone’’ lamellae, which often appear in the deformed or nanocrystalline NiTi, can also be observed. These unique microstructures may confer the distinctive properties to the SLM-fabricated NiTi.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Shape memory polymers

New shape memory polymer compositions, methods for synthesizing new shape memory polymers, and apparatus comprising an actuator and a shape memory polymer wherein the shape memory polymer comprises at least a portion of the actuator. A shape memory polymer comprising a polymer composition which physically forms a network structure wherein the polymer composition has shape-memory behavior and can be formed into a permanent primary shape, re-formed into a stable secondary shape, and controllably actuated to recover the permanent primary shape. Polymers have optimal aliphatic network structures due to minimization of dangling chains by using monomers that are symmetrical and that have matching amine and hydroxyl groups providing polymers and polymer foams with clarity, tight (narrow temperature range) single transitions, and high shape recovery and recovery force that are especially useful for implanting in the human body.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Shape memory polymers

New shape memory polymer compositions, methods for synthesizing new shape memory polymers, and apparatus comprising an actuator and a shape memory polymer wherein the shape memory polymer comprises at least a portion of the actuator. A shape memory polymer comprising a polymer composition which physically forms a network structure wherein the polymer composition has shape-memory behavior and can be formed into a permanent primary shape, re-formed into a stable secondary shape, and controllably actuated to recover the permanent primary shape. Polymers have optimal aliphatic network structures due to minimization of dangling chains by using monomers that are symmetrical and that have matching amine and hydroxl groups providing polymers and polymer foams with clarity, tight (narrow temperature range) single transitions, and high shape recovery and recovery force that are especially useful for implanting in the human body.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Shape memory polymers

New shape memory polymer compositions, methods for synthesizing new shape memory polymers, and apparatus comprising an actuator and a shape memory polymer wherein the shape memory polymer comprises at least a portion of the actuator. A shape memory polymer comprising a polymer composition which physically forms a network structure wherein the polymer composition has shape-memory behavior and can be formed into a permanent primary shape, re-formed into a stable secondary shape, and controllably actuated to recover the permanent primary shape. Polymers have optimal aliphatic network structures due to minimization of dangling chains by using monomers that are symmetrical and that have matching amine and hydroxl groups providing polymers and polymer foams with clarity, tight (narrow temperature range) single transitions, and high shape recovery and recovery force that are especially useful for implanting in the human body.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Shape memory polymers

New shape memory polymer compositions, methods for synthesizing new shape memory polymers, and apparatus comprising an actuator and a shape memory polymer wherein the shape memory polymer comprises at least a portion of the actuator. A shape memory polymer comprising a polymer composition which physically forms a network structure wherein the polymer composition has shape-memory behavior and can be formed into a permanent primary shape, re-formed into a stable secondary shape, and controllably actuated to recover the permanent primary shape. Polymers have optimal aliphatic network structures due to minimization of dangling chains by using monomers that are symmetrical and that have matching amine and hydroxl groups providing polymers and polymer foams with clarity, tight (narrow temperature range) single transitions, and high shape recovery and recovery force that are especially useful for implanting in the human body.

Wilson, Thomas S.↗
DOE OSTI2018

Characterization of the microstructures and the shape memory properties of the Fe-Mn-Si-Cr-Ni-C shape memory alloy after severe plastic deformation by differential speed rolling and subsequent annealing

Highlights: • The Fe-SMA was subjected to severe plastic deformation and then annealed. • Recovery strain increased with increasing grain size. • An optimum grain size existed for the largest recovery stress. • Grain reduction is useful for having a high recovery stress. - Abstract: The Fe-13.51Mn-4.82Si-8.32Cr-3.49Ni-0.15C shape memory alloy was subjected to severe plastic deformation by high-ratio differential speed rolling and subsequent annealing (between 873 and 1373 K) to find the factors that affect recovery stress and recovery strain. As the annealing temperature increased (i. e., as grain size increased), the recovery strain increased. This was attributed to decrease in the density of grain boundaries and the density of twins with increasing grain size. The recovery stress, however, showed a different behavior. It increased with annealing temperature up to 973 K, at which an ultrafine grain size near 1.6 μm was obtained, and then decreased with further increase in the temperature. The difference between the recovery strain and the plastic strain induced by recovery stress under constrained displacement during cooling was proposed to determine the amount of recovery stress. There was an optimum grain size for the largest difference between the recovery strain and the plastic strain. The current study shows that grain-size reduction is not good for having a high recovery strain but it is beneficial for having a high recovery stress in the Fe-Mn-Si shape memory alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Processing-induced strain glass states in a Ni 49.5 Ti 50.5 shape memory alloy

Shape memory alloys (SMAs) represent a revolutionary and innovative class of active materials which can provide potential solutions to many of today's engineering problems due to their compact form, high energy densities, and multifunctional capabilities. While many applications in the biomedical, aerospace, and automotive industries have already been investigated and realized for Nickel-Titanium (NiTi) based SMAs, the effects of restricting the ferroelastic transformation to nanosized domains is not well understood and the potential remains untapped. In binary NiTi, the martensitic transformation, which is characterized by long-range strain ordering (LRO), can be replaced with a strain glass transition, which consists of an LRO parent phase and a short-range strain ordered glassy phase. Such alloys have been named strain glass alloys (SGAs) due to the fact that they exhibit a glassy state which results from compositionally- or processing-induced strain. While SGAs do not exhibit a stress-free, temperature-induced macroscopic phase change, they still exhibit the strain recovery and actuation capabilities intrinsic to near equiatomic NiTi and other SMAs. It has been shown in the available literature that certain compositions, for example 51.5 at. % Nickel in binary NiTi, can create a strain glass; however, these compositionally-induced NiTi SGAs generally have transformation temperatures below 173 K and this will restrict their practical applications. In the present study, a new method for producing a strain glass phase in Ti-rich NiTi through sufficient plastic deformation via cold work is reported; the resulting SGA exhibits a temperature-induced ferroelastic recovery above room temperature. Additionally, the macroscopic actuation capabilities are improved when compared to both compositionally-induced SGAs and the base material due to the increased functional stresses of the SGA. To better understand the transition from an SMA to an SGA, Ni49.5Ti50.5 (at. %) rods were processed to several degrees of cold work and characterized via scanning and transmission electron microscopy, differential scanning calorimetry, thermomechanical testing, and synchrotron radiation x-ray diffraction. The experimental results indicate that twin size decreases with additional cold work and, around 45% thickness reduction, stress-free thermal cycling no longer results in a measurable phase transformation; however, mechanically-induced phase transformation is still possible, where fully recoverable strains in these SGAs were observed to be above 4.5% when loaded at room temperature and recovered at 150 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Stress transfer during different deformation stages in a nano-precipitate-strengthened Ni-Ti shape memory alloy

Understanding the role of fine coherent precipitates in the micromechanical behavior of precipitate-strengthened shape memory alloys (SMAs), which still remains a mystery heretofore, is of crucial importance to the design of advanced SMAs with optimal functional and mechanical properties. Here, we investigate the lattice strain evolution of, and the stress partition between the nanoscale Ni{sub 4}Ti{sub 3} precipitates and the matrix in a precipitate-strengthened Ni-Ti SMA during different deformation stages by in-situ synchrotron high-energy X-ray diffraction technique. We found that, during R-phase reorientation and stress-induced martensitic transformation, which both involve the shear deformation process, the lattice strain of the nanoscale precipitates drastically increases by a magnitude of 0.5%, which corresponds to an abrupt increase of ∼520 MPa in internal stress. This indicates that stress repartition occurs and most of the stress is transferred to the precipitates during the shear deformation of the matrix. It is further revealed that the nanoscale precipitates which only have a low volume fraction bear a considerable amount of applied stress during all deformation stages investigated, implying that the nanoscale precipitates play an important role in the deformation behavior of the precipitate-strengthened Ni-Ti SMAs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Direct in situ measurement of coupled magnetostructural evolution in a ferromagnetic shape memory alloy and its theoretical modeling

Ferromagnetic shape memory alloys (FSMAs) have shown great potential as active components in next generation smart devices due to their exceptionally large magnetic-field-induced strains and fast response times. During application of magnetic fields in FSMAs, as is common in several magnetoelastic smart materials, there occurs simultaneous rotation of magnetic moments and reorientation of twin variants, resolving which, although critical for design of new materials and devices, has been difficult to achieve quantitatively with current characterization methods. At the same time, theoretical modeling of these phenomena also faced limitations due to uncertainties in values of physical properties such as magnetocrystalline anisotropy energy (MCA), especially for off-stoichiometric FSMA compositions. Here, in situ polarized neutron diffraction is used to measure directly the extents of both magnetic moments rotation and crystallographic twin-reorientation in an FSMA single crystal during the application of magnetic fields. Additionally, high-resolution neutron scattering measurements and first-principles calculations based on fully relativistic density functional theory are used to determine accurately the MCA for the compositionally disordered alloy of Ni 2 Mn 1.14 Ga 0.86 . The results from these state-of-the-art experiments and calculations are self-consistently described within a phenomenological framework, which provides quantitative insights into the energetics of magnetostructural coupling in FSMAs. Furthermore, based on the current model, the energy for magnetoelastic twin boundaries propagation for the studied alloy is estimated to be ~150 kJ/m 3 .

36 MATERIALS SCIENCE↗