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Pseudoelastic deformation in Mo-based refractory multi-principal element alloys

Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principal-element alloys. We present phase and property analysis of quinary (MoW) x Zr y (TaTi) 1-x-y refractory high-entropy alloys from combined Calculation of Phase Diagram (CALPHAD) and density-functional theory results, supplemented by molecular dynamics simulations. Both CALPHAD and density-functional theory analysis of phase stability indicates a Mo-W-rich region of this quinary has a stable single-phase body-centered-cubic structure. We report first quinary composition from Mo-W-Ta-Ti-Zr family of alloy with pseudo-elastic behavior, i.e., hysteresis in stress-strain. Our analysis shows that only Mo-W-rich compositions of Mo-W-Ta-Ti-Zr, i.e., Mo+W, show reproducible hysteresis in stress-strain responsible for pseudo-elastic behavior. The (MoW) 85 Zr 7.5 (TaTi) 7.5 was down-selected based on temperature-dependent phase diagram analysis and molecular dynamics simulations predicted elastic behavior that reveals twinning-assisted pseudoelastic behavior. While mostly unexplored in body-centered-cubic crystals, twinning is a fundamental deformation mechanism that competes against dislocation slip in crystalline solids. Furthermore, this alloy shows identical cyclic deformation characteristics during uniaxial < 100 > loading, i.e., the pseudoelasticity is isotropic in loading direction. Additionally, a temperature increase from 77 to 1,500 K enhances the elastic strain recovery in load-unload cycles, offering possibly control to tune the pseudoelastic behavior.

36 MATERIALS SCIENCE↗

In Situ Nano-Indentation of a Gold Sub-Micrometric Particle Imaged by Multi-Wavelength Bragg Coherent X-ray Diffraction

The microstructure of a sub-micrometric gold crystal during nanoindentation is visualized by in situ multi-wavelength Bragg coherent X-ray diffraction imaging. The gold crystal is indented using a custom-built atomic force microscope. A band of deformation attributed to a shear band oriented along the (221) lattice plane is nucleated at the lower left corner of the crystal and propagates towards the crystal center with increasing applied mechanical load. After complete unloading, an almost strain-free and defect-free crystal is left behind, demonstrating a pseudo-elastic behavior that can only be studied by in situ imaging while it is invisible to ex situ examinations. The recovery is probably associated with reversible dislocations nucleation/annihilation at the side surface of the particle and at the particle-substrate interface, a behavior that has been predicted by atomistic simulations. The full recovery of the particle upon unloading sheds new light on extraordinary mechanical properties of metal nanoparticles obtained by solid-state dewetting.

36 MATERIALS SCIENCE↗

Applying Dynamic Strain on Thin Oxide Films Immobilized on a Pseudoelastic Nickel-Titanium Alloy

Direct alteration of materials structure/function through strain is a burgeoning area of research that has allowed for novel properties of materials to emerge. Tuning materials structure can be achieved by controlling an external force imposed on materials and inducing stress-strain responses (i.e., applying dynamic strain). Electroactive thin films are typically deposited on shape or volume tunable elastic substrates, where mechanical loading (i.e. compression or tension) can affect films structure and function through imposed strain. Here we summarize methods for straining n-type doped titanium dioxide (TiO2) films prepared by a thermal treatment of a pseudo-elastic nickel-titanium alloy. The main purpose of the described methods is to study how strain affects electrocatalytic activities of metal oxide, specifically hydrogen evolution and oxygen evolution reactions. The same system can be adapted to study the effect of strain more broadly. Strain engineering can be applied for optimization of a material function, as well as for design of adjustable, multifunctional (photo)electrocatalytic materials under external stress control.

92 SC - Basic Energy Sciences (BES) (SC-22)↗

Shape memory alloys: New materials for future engineering

Shape memory is a new material property. An alloy which experiences relative severe plastic deformation resumes its original shape again after heating by 10 to 100 C. Besides simple shape memory, in similar alloys there is the second effect where the change in shape is caused exclusively by little temperature change. In pseudo-elasticity, the alloy exhibits a rubber-like behavior, i.e., large, reversible deformation at little change in tension. Beta Cu and beta NiTi alloys have been used in practice. The probability is that soon alloys based on Fe will become available. Recently increasing applications for this alloy were found in various areas of technology, even medical technology. A review with 24 references is given, including properties, production, applications and fundamental principles of the shape memory effect.

Hornbogen, E.↗

Shape memory alloy engine for high efficiency low-temperature gradient thermal to electrical conversion

More than half of the energy generated worldwide is lost as unused thermal energy because of the lack of efficient methodology for harnessing the low-grade heat. In this paper, we demonstrate that shape-memory alloy can be an effective mechanism for recovering low-grade heat. Shape memory alloys exhibit thermally induced martensite to austenite phase transformation and super-elasticity (stress-induced martensitic transformation). Employing these two characteristics, we demonstrate a thermal engine for harnessing waste energy through all modes of heat transfer: convection, conduction, and radiation. In this work, we performed material and heat transfer analysis for achieving high frequency, sustainable and efficient operation of our engine. An optimized shape memory alloy engine generated 36 W per kilogram or 234 kW of electricity per cubic meter of active material. A continuous three-day operation of several SMA engines could generate 7.2 kWh of electricity when installed on a 500 m long hot pipe network. This generated power can potentially reduce the carbon footprint by 5.1 kg of CO 2 illustrating the promise of this technology for addressing climate change.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗