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Towards Accurate and Efficient Predictions of Martensitic Transition Temperatures for Shape Memory Alloys from First Principles

Shape memory alloys (SMAs) can remember and recover their original shapes upon heating due to the existence of a reversible martensitic transition (MT) between the high-temperature austenite (A) and low-temperature martensite (M) phases. The martensitic transition temperature (MTT) is a crucial characteristic of an SMA. SMAs have a wide range of potential applications in aerospace, civil engineering, bioengineering, etc., but their operating temperatures are limited by the available SMAs. MTT can be tuned by alloying a binary with other metals, and the multicomponent NiTi-based SMAs have attracted tremendous research efforts recently. It is not efficient to employ the trial-and-error method alone due to the dramatically increased complexity and possibilities in compositions, and thus reliable theory and accurate computations play an indispensable role in creating SMAs with desirable properties.

Zhigang Wu

A Machine Learning Approach to Design Shape Memory Alloys for NASA Applications

Shape memory alloys (SMAs) are a unique class of materials with several remarkable properties including shape recovery, superelasticity, etc. Nickel-titanium (NiTi) based alloys are the most widely studied of this class, with compositions including ternary, quaternary, or higher additions being considered. Especially important for many NASA applications is the ability to tune the martensitic phase transition temperature of NiTi alloys by varying the alloy composition and processing conditions. In addition, low hysteresis and an acceptable recoverable transformation strain are required. Over the past several years, a significant database of SMA properties has been assembled by NASA researchers. Such a database is ideal for data science-based approaches. We present results from our machine learning approach for designing new SMAs with target properties within our range of interest. Our developed models are capable of accurately predicting the transition temperature, hysteresis, and transformation strain of SMAs across a wide range of compositions. This approach has the potential to significantly accelerate the discovery and design of new SMA materials.

Shreyas Jaikumar Honrao

Correlation between Mechanical Behavior and Actuator-type Performance of Ni-Ti-Pd High-temperature Shape Memory Alloys

High-temperature shape memory alloys in the NiTiPd system are being investigated as lower cost alternatives to NiTiPt alloys for use in compact solid-state actuators for the aerospace, automotive, and power generation industries. A range of ternary NiTiPd alloys containing 15 to 46 at.% Pd has been processed and actuator mimicking tests (thermal cycling under load) were used to measure transformation temperatures, work behavior, and dimensional stability. With increasing Pd content, the work output of the material decreased, while the amount of permanent strain resulting from each load-biased thermal cycle increased. Monotonic isothermal tension testing of the high-temperature austenite and low temperature martensite phases was used to partially explain these behaviors, where a mismatch in yield strength between the austenite and martensite phases was observed at high Pd levels. Moreover, to further understand the source of the permanent strain at lower Pd levels, strain recovery tests were conducted to determine the onset of plastic deformation in the martensite phase. Consequently, the work behavior and dimensional stability during thermal cycling under load of the various NiTiPd alloys is discussed in relation to the deformation behavior of the materials as revealed by the strain recovery and monotonic tension tests.

Bigelow, Glen S.

Oxidation Kinetics of a NiPtTi High Temperature Shape Memory Alloy

A high temperature shape memory alloy (HTSMA), Ni30Pt50Ti, with an M(sub s) near 600 C, was isothermally oxidized in air for 100 hr over the temperature range of 500 to 900 C. Parabolic kinetics were confirmed by log-log and parabolic plots and showed no indication of fast transient oxidation. The overall behavior could be best described by the Arrhenius relationship: k(sub p) = 1.64 x 10(exp 12)[(-250 kJ/mole)/RT] mg(sup 2)/cm(sup 4)hr. This is about a factor of 4 reduction compared to values measured here for a binary Ni47Ti commercial SMA. The activation energy agreed with most literature values for TiO2 scale growth measured for elemental Ti and other NiTi alloys. Assuming uniform alloy depletion of a 20 mil (0.5 mm) dia. HTSMA wire, approx. 1 percent Ti reduction is predicted after 20,000 hr oxidation at 500 C, but becomes much more serious at higher temperatures.

Smialek, James L.

Shape Memory Alloy Rock Splitters (SMARS)

Shape memory alloys (SMAs) may be used for static rock splitting. The SMAs may be used as high-energy multifunctional materials, which have a unique ability to recover large deformations and generate high stresses in response to thermal loads.

Benafan, Othmane

Effects of Stoichiometry on Transformation Temperatures and Actuator-Type Performance of NiTiPd and NiTiPdX High-Temperature Shape Memory Alloys

High-temperature shape memory NiTiPd and NiTiPdX (X=Au, Pt, Hf) alloys were produced with titanium equivalent (Ti+Hf) compositions of 50.5, 50.0, 49.5, and 49.0 at.%. Thermo-mechanical testing in compression was used to evaluate the transformation temperatures, transformation strain, work output, and permanent deformation behavior of each alloy to study the effects of quaternary alloying and stoichiometry on high-temperature shape memory alloy behavior. Microstructural evaluation showed the presence of second phases for all alloy compositions. No load transformation temperatures in the stoichiometric alloys were relatively unchanged by Au and Pt substitutions, while the substitution of Hf for Ti causes a drop in transformation temperatures. The NiTiPd, NiTiPdAu and NiTiPdHf alloys exhibited transformation temperatures that were highest in the Ti-rich compositions, slightly lower at stoichiometry, and significantly reduced when the Ti equivalent composition was less than 50 at.%. For the NiTiPdPt alloy, transformation temperatures were highest for the Ti-rich compositions, lowest at stoichiometry, and slightly higher in the Ni-rich composition. When thermally cycled under constant stresses of up to 300 MPa, all of the alloys had transformation strains, and therefore work outputs, which increased with increasing stress. In each series of alloys, the transformation strain and thus work output was highest for stoichiometric or Ti-rich compositions while permanent strain associated with the constant-load thermal cycling was lowest for alloys with Ni-equivalent-rich compositions. Based on these results, basic rules for optimizing the composition of NiTiPd alloys for actuator performance will be discussed.

Bigelow, Glen S.

Microstructure-sensitive mechanical behavior of an additively manufactured psuedoelastic shape memory alloy

The additive manufacturing of shape memory alloys into complex geometries enables fabrication of advanced functional systems across a variety of fields and domains. This work presents results focused on the mechanical behavior of additively manufactured shape memory pseudoelastic NiTi. The deformation induced solid state phase transformation from austenite to martensite allows this system to accommodate large recoverable strains. This deformation behavior is fundamentally driven by crystal-scale transformation physics. Laser powder bed fusion processing reveals that the resulting microstructure, both grain morphology and crystallographic texture, is strongly dependent on the manufacturing processing history. Exhaustive mechanical testing demonstrates that these microstructural factors strongly impact both tensile and cyclic stress–strain behavior. Cyclic dissipative behavior, however, is similar across all tested microstructures following an initial transient period. Remarkably, analysis of spatial strain fields during tensile loading reveals two distinctly different localization “modes”. The first is initiation of localized deformation bands which continuously propagate through the tensile bar during loading. In the second mode localization is observed but lacks propagation; instead additional localization cites nucleate during subsequent loading. The latter phenomena is suspected to be driven by grain-scale deformation physics as the localized band morphologies coincide with grain morphologies. These phenomena strongly impact the resulting aggregate stress–strain behavior. Hence, manufacturers and designers of psuedoelastic functional components must at the very least consider the potential variability in properties when considering additive manufacturing processing. More ideally the process–structure–property relations can be used to further tailor and optimize final functional performance.

Additive manufacturing

The Effects of Fiber Orientation and Adhesives on Tensile Properties of Carbon Fiber Reinforced Polymer Matrix Composite with Embedded Nickel-Titanium Shape Memory Alloys

Nickel-titanium (NiTi) shape memory alloy (SMA) sections were embedded within carbon fiber reinforced polymer matrix composite (CFRPPMC) laminates and their tensile properties were evaluated with simultaneous monitoring of modal acoustic emissions. The test specimens were fabricated in three different layup configurations and two different thin film adhesives were applied to bond the SMA with the PMC. A trio of acoustic sensors were attached to the specimens during tensile testing to monitor the modal acoustic emission (AE) as the materials experienced mechanical failure. The values of ultimate tensile strengths, strains, and moduli were obtained. Cumulative AE energy of events and specimen failure location were determined. In conjunction, optical and scanning electron microscopy techniques were used to examine the break areas of the specimens. The analysis of AE data revealed failure locations within the specimens which were validated from the microscopic images. The placement of 90 deg plies in the outer ply gave the strongest acoustic signals during break as well as the cleanest break of the samples tested. Overlapping 0 deg ply layers surrounding the SMA was found to be the best scenario to prevent failure of the specimen itself.

shape memory alloy

Composition-property correlations in NiTi-based shape memory alloys from the first principles

Development of shape memory alloys (SMA) has been traditionally accomplished by means of extensive empirical efforts, with a very limited support from phenomenological models and related tools. We present a theoretical framework based on the Hamiltonian formalism, which connects important thermodynamic properties directly to the relative energies (the eigenvalues of the Hamiltonian), computed from the first principles using density functional theory. The estimates based on this formalism allow to establish correlations between composition and physical properties, such as relative energies, phase transition temperatures, hysteresis, thermal expansion, and other thermodynamic information. Importantly, estimates and correlations not only provide a fast answer, but also elucidate underpinning of thermodynamic features in terms of the electronic structure. Using this framework, we consider phase transformations and correlations between the selected properties and composition in the NiTi-based ternary and multicomponent shape memory alloys. Our theoretical guidance facilitates design and development of future alloys.

shape memory alloys

A Shape Memory Alloy Based Cryogenic Thermal Conduction Switch

Shape memory alloys (SMAs) can produce large strains when deformed (e.g., up to 8%). Heating results in a phase transformation and associated recovery of all the accumulated strain. This strain recovery can occur against large forces, resulting in their use as actuators. Thus an SMA element can integrate both sensory and actuation functions, by inherently sensing a change in temperature and actuating by undergoing a shape change as a result of a temperature-induced phase transformation. Two aspects of our work on cryogenic SMAs are addressed here. First - a shape memory alloy based cryogenic thermal conduction switch for operation between dewars of liquid methane and liquid oxygen in a common bulkhead arrangement is discussed. Such a switch integrates the sensor element and the actuator element and can be used to create a variable thermal sink to other cryogenic tanks for liquefaction, densification, and zero boil-off systems for advanced spaceport applications. Second - fabrication via arc-melting and subsequent materials testing of SMAs with cryogenic transformation temperatures for use in the aforementioned switch is discussed.

Notardonato, W. U.

Fabrication of silicon-based shape memory alloy micro-actuators

Thin film shape memory alloy has been integrated with silicon in a new actuation mechanism for microelectromechanical systems. This paper compares nickel-titanium film with other actuators, describes recent results of chemical milling processes developed to fabricate shape memory alloy microactuators in silicon, and describes simple actuation mechanisms which have been fabricated and tested.

Johnson, A. David

Molecular Dynamics Simulations of Austenite-Martensite Interfaces in NiTi Shape Memory Alloys

The unique properties of shape memory alloys (SMAs) arise from a reversible martensitic transformation. The nucleation and migration of austenite-martensite interfaces are the key to understanding the SMA properties. Molecular dynamics (MD) simulations can provide important atomic-scale information about these aspects of the transformation, but their time scales prevent the interface formation under near-equilibrium conditions relevant to experiment. We present a new MD methodology which allows for the natural formation of energetically preferred austenite-martensite interfaces under near-equilibrium conditions. Our simulation demonstrates that the interfaces in NiTi are semi-coherent, composed of a series of terrace planes and structural disconnections, and they migrate rapidly through single crystals with only a small thermodynamic driving force. In bi-crystals and polycrystals, the migration of these same interfaces is significantly impeded by grain boundaries and stored elastic energy. This behavior can result in SMA hysteresis via several mechanisms associated with nucleation and non-elastic strain accommodation.

Gabriel Plummer

Shape Memory Alloy Material Maturation (SMA)

The Shape Memory Alloy (SMA) project will evaluate, process, and refine 3 SMA materials that have the potential to provide the properties needed to enable various technologies for human exploration missions on the Moon and Mars. The work will focus on the development and identification of a new SMA alloy targeted at enabling compliant rover tires capable of the extreme demands (high loads, faster drive speeds, extreme cold temperatures and exceedingly long mission durations). The necessary work will include the development of key material testing capabilities that will enable material properties development from 40K – 400K for all properties needed to qualify space flight hardware (Tensile, Fatigue/Durability, etc.). The SMA wire properties will be input into a database and model, ultimately to disseminate material property design data (for 1 alloy only) as parameters for finite element modeling of a tire structure.

Andrea Marchica

DEVELOPMENT OF INEXPENSIVE HIGH TEMPERATURE NITI-BASED SHAPE MEMORY ALLOYS FOR POWDER BED ADDITIVE MANUFACTURING

NiTi and NiTi-based Shape Memory Alloys (SMA) exhibit a reversible solid-state phase transformation from martensite to austenite driven by thermal energy. High temperature (Mf>100°C) SMAs are martensite at room temperature and can be fabricated into solid-state actuators that return to a pre-programmed shape against a designed load after heating to transformation threshold. Reactive as-fabricated additively manufactured parts (4-D printing) is the current state of the art in manufacturing of SMAs but requires compositions compliant to rapid solidification. Existing actuator designs are developed from commercially available, highly investigated material compositions. However, existing high temperature high performance (high actuation strain, low thermal hysteresis) shape memory alloys contain significant (>10% at.) portions of high-cost Platinum Group Metals (PGMs). It is of significant scientific interest to investigate material compositions that are peer performing or superior to PGMs whose constituent elements represent a significant cost savings. Shape memory alloy properties vary significantly with small (0.1% at.) compositional changes making robust investigative sample sets very large. Computational material design can be deployed to shrink the compositional space of possible alloy combinations and reduce the experimental load in material discovery. Investigating shape memory effect (SME) and validating process additive process parameters for a single novel composition is cost intensive in both time and consumed materials. Additionally, sub-optimal processing, oxygen, or solidification rate sensitivity could render additively manufacturing specimens without micro, macro cracks, or significant chemical variance impossible. Unfortunately, such failure susceptibility cannot be simulated. Therefore, a research pathway to validate novel shape memory alloy compositions for powder bed fusion additive manufacturing without the need for powdered feedstock is also proposed. This research investigates novel high temperature shape memory alloys for actuators without platinum group alloying elements to discover one that could be commercially viable as an additive manufacturing feedstock.

Sundermann, Tayler

Influence of Test Procedures on the Thermomechanical Properties of a 55NiTi Shape Memory Alloy

Over the past few decades, binary NiTi shape memory alloys have received attention due to their unique mechanical characteristics, leading to their potential use in low-temperature, solid-state actuator applications. However, prior to using these materials for such applications, the physical response of these systems to mechanical and thermal stimuli must be thoroughly understood and modeled to aid designers in developing SMA-enabled systems. Even though shape memory alloys have been around for almost five decades, very little effort has been made to standardize testing procedures. Although some standards for measuring the transformation temperatures of SMA s are available, no real standards exist for determining the various mechanical and thermomechanical properties that govern the usefulness of these unique materials. Consequently, this study involved testing a 55NiTi alloy using a variety of different test methodologies. All samples tested were taken from the same heat and batch to remove the influence of sample pedigree on the observed results. When the material was tested under constant-stress, thermal-cycle conditions, variations in the characteristic material responses were observed, depending on test methodology. The transformation strain and irreversible strain were impacted more than the transformation temperatures, which only showed an affect with regard to applied external stress. In some cases, test methodology altered the transformation strain by 0.005-0.01mm/mm, which translates into a difference in work output capability of approximately 2 J/cu cm (290 in!lbf/cu in). These results indicate the need for the development of testing standards so that meaningful data can be generated and successfully incorporated into viable models and hardware. The use of consistent testing procedures is also important when comparing results from one research organization to another. To this end, differences in the observed responses will be presented, contrasted and rationalized, in hopes of eventually developing standardized testing procedures for shape memory alloys.

Padula, Santo A., II

Shape Control of Solar Collectors Using Shape Memory Alloy Actuators

Solar collectors that are focused on a central receiver are designed with a mechanism for defocusing the collector or disabling it by turning it out of the path of the sun's rays. This is required to avoid damaging the receiver during periods of inoperability. In either of these two cases a fail-safe operation is very desirable where during power outages the collector passively goes to its defocused or deactivated state. This paper is principally concerned with focusing and defocusing the collector in a fail-safe manner using shape memory alloy actuators. Shape memory alloys are well suited to this application in that once calibrated the actuators can be operated in an on/off mode using a minimal amount of electric power. Also, in contrast to other smart materials that were investigated for this application, shape memory alloys are capable of providing enough stroke at the appropriate force levels to focus the collector. Design and analysis details presented, along with comparisons to test data taken from an actual prototype, demonstrate that the collector can be repeatedly focused and defocused within accuracies required by typical solar energy systems. In this paper the design, analysis and testing of a solar collector which is deformed into its desired shape by shape memory alloy actuators is presented. Computations indicate collector shapes much closer to spherical and with smaller focal lengths can be achieved by moving the actuators inward to a radius of approximately 6 inches. This would require actuators with considerably more stroke and some alternate SMA actuators are currently under consideration. Whatever SMA actuator is finally chosen for this application, repeatability and fatigue tests will be required to investigate the long term performance of the actuator.

Lobitz, D. W.

Shape-Memory-Alloy Actuator For Flight Controls

Report proposes use of shape-memory-alloy actuators, instead of hydraulic actuators, for aerodynamic flight-control surfaces. Actuator made of shape-memory alloy converts thermal energy into mechanical work by changing shape as it makes transitions between martensitic and austenitic crystalline phase states of alloy. Because both hot exhaust gases and cryogenic propellant liquids available aboard launch rockets, shape-memory-alloy actuators exceptionally suited for use aboard such rockets.

Barret, Chris

Damping of High-temperature Shape Memory Alloys

Researchers at NASA Glenn Research Center have been investigating high temperature shape memory alloys as potential damping materials for turbomachinery rotor blades. Analysis shows that a thin layer of SMA with a loss factor of 0.04 or more would be effective at reducing the resonant response of a titanium alloy beam. Two NiTiHf shape memory alloy compositions were tested to determine their loss factors at frequencies from 0.1 to 100 Hz, at temperatures from room temperature to 300 C, and at alternating strain levels of 34-35x10(exp -6). Elevated damping was demonstrated between the M(sub s) and M(sub f) phase transformation temperatures and between the A(sub s) and A(sub f) temperatures. The highest damping occurred at the lowest frequencies, with a loss factor of 0.2-0.26 at 0.1 Hz. However, the peak damping decreased with increasing frequency, and showed significant temperature hysteresis in heating and cooling. Keywords: High-temperature, shape memory alloy, damping, aircraft engine blades, NiTiHf

Duffy, Kirsten P.