Machine learning-assisted efficient design of Cu-based shape memory alloy with specific phase transition temperature

The martensitic transformation temperature is the basis for the application of shape memory alloys(SMAs),and the ability to quickly and accurately predict the transformation temperature of SMAs has very important practical significance.In this work,machine learning(ML)methods were utilized to accelerate the search for shape memory alloys with targeted properties(phase transition temperature).A group of component data was selected to design shape memory alloys using reverse design method from numerous unexplored data.Component modeling and feature modeling were used to predict the phase transition temperature of the shape memory alloys.The experimental results of the shape memory alloys were obtained to verify the effectiveness of the support vector regression(SVR)model.The results show that the machine learning model can obtain target materials more efficiently and pertinently,and realize the accurate and rapid design of shape memory alloys with specific target phase transition temperature.On this basis,the relationship between phase transition temperature and material descriptors is analyzed,and it is proved that the key factors affecting the phase transition temperature of shape memory alloys are based on the strength of the bond energy between atoms.This work provides new ideas for the controllable design and performance optimization of Cu-based shape memory alloys.

Design and additive manufacturing of bionic hybrid structure inspired by cuttlebone to achieve superior mechanical properties and shape memory function

Lightweight porous materials with high load-bearing,damage tolerance and energy absorption(EA)as well as intelligence of shape recovery after material deformation are beneficial and critical for many applications,e.g.aerospace,automobiles,electronics,etc.Cuttlebone produced in the cuttlefish has evolved vertical walls with the optimal corrugation gradient,enabling stress homogenization,significant load bearing,and damage tolerance to protect the organism from high external pressures in the deep sea.This work illustrated that the complex hybrid wave shape in cuttlebone walls,becoming more tortuous from bottom to top,creates a lightweight,load-bearing structure with progressive failure.By mimicking the cuttlebone,a novel bionic hybrid structure(BHS)was proposed,and as a comparison,a regular corrugated structure and a straight wall structure were designed.Three types of designed structures have been successfully manufactured by laser powder bed fusion(LPBF)with NiTi powder.The LPBF-processed BHS exhibited a total porosity of 0.042% and a good dimensional accuracy with a peak deviation of 17.4μm.Microstructural analysis indicated that the LPBF-processed BHS had a strong(001)crystallographic orientation and an average size of 9.85μm.Mechanical analysis revealed the LPBF-processed BHS could withstand over 25000 times its weight without significant deformation and had the highest specific EA value(5.32 J·g^(−1))due to the absence of stress concentration and progressive wall failure during compression.Cyclic compression testing showed that LPBF-processed BHS possessed superior viscoelastic and elasticity energy dissipation capacity.Importantly,the uniform reversible phase transition from martensite to austenite in the walls enables the structure to largely recover its pre-deformation shape when heated(over 99% recovery rate).These design strategies can serve as valuable references for the development of intelligent components that possess high mechanical efficiency and shape memory capabilities.

Effect of solution treatment on the microstructure,phase transformation behavior and functional properties of NiTiNb ternary shape memory alloys fabricated via laser powder bed fusion in-situ alloying

Post-heat treatment is commonly employed to improve the microstructural homogeneity and enhance the mechanical performances of the additively manufactured metallic materials.In this work,a ternary(NiTi)91Nb9(at.%)shape memory alloy was produced by laser powder bed fusion(L-PBF)using pre-alloyed NiTi and elemental Nb powders.The effect of solution treatment on the microstructure,phase transformation behavior and mechanical/functional performances was investigated.The in-situ alloyed(NiTi)91Nb9 alloy exhibits a submicron cellular-dendritic structure surrounding the supersaturated B2-NiTi matrix.Upon high-temperature(1273 K)solution treatment,Nb-rich precipitates were precipitated from the supersaturated matrix.The fragmentation and spheroidization of the NiTi/Nb eutectics occurred during solution treatment,leading to a morphological transition from mesh-like into rod-like and sphere-like.Coarsening of theβ-Nb phases occurred with increasing holding time.The martensite transformation temperature increases after solution treatment,mainly attributed to:(i)reduced lattice distortion due to the Nb expulsion from the supersaturated B2-NiTi,and(ii)the Ti expulsion from theβ-Nb phases that lowers the ratio Ni/Ti in the B2-NiTi matrix,which resulted from the microstructure changes from non-equilibrium to equilibrium state.The thermal hysteresis of the solutionized alloys is around 145 K after 20%pre-deformation,which is comparable to the conventional NiTiNb alloys.A short-term solution treatment(i.e.at 1273 K for 30 min)enhances the ductility and strength of the as-printed specimen,with the increase of fracture stress from(613±19)MPa to(781±20)MPa and the increase of fracture strain from(7.6±0.1)%to(9.5±0.4)%.Both the as-printed and solutionized samples exhibit good tensile shape memory effects with recovery rates>90%.This work suggests that post-process heat treatment is essential to optimize the microstructure and improve the mechanical performances of the L-PBF in-situ alloyed parts.

Improving comprehensive properties of Cu-11.9Al-2.5Mn shape memory alloy by adding multi-layer graphene carried by Cu_(51)Zr_(14)inoculant particles

In order to improve the comprehensive properties of the Cu-11.9Al-2.5Mn shape memory alloy(SMA),multilayer graphene(MLG)carried by Cu_(51)Zr_(14)inoculant particles was incorporated and dispersed into this alloy through preparing the preform of the cold-pressed MLG-Cu_(51)Zr_(14)composite powders.In the resultant novel MLG/Cu-Al-Mn composites,MLG in fragmented or flocculent form has a good bonding with the Cu-Al-Mn matrix.MLG can prevent the coarsening of grains of the Cu-Al-Mn SMA and cause thermal mismatch dislocations near the MLG/Cu-Al-Mn interfaces.The damping and mechanical properties of the MLG/Cu-Al-Mn composites are significantly improved.When the content of MLG reaches 0.2 wt.%,the highest room temperature damping of 0.0558,tensile strength of 801.5 MPa,elongation of 10.8%,and hardness of HV 308 can be obtained.On the basis of in-depth observation of microstructures,combined with the theory of internal friction and strengthening and toughening theories of metals,the relevant mechanisms are discussed.

Inverse gradient nanostructure through gradient cold rolling demonstrated with superelasticity improvement in Ti-50.3Ni shape memory alloy

Gradient nanostructured(GNS)metallic materials are commonly achieved by gradient severe plastic de-formation with a gradient of nano-to micro-sized structural units from the surface/boundaries to the center.Certainly,such GNS can be inversely positioned,which however has not yet been reported.The present work reports a facile method in deformation gradient control to attain inverse gradient nanostructured(iGNS),i.e.,tailoring the cross-section shape,successfully demonstrated in Ti-50.3Ni shape memory alloy(SMA)wire through cold rolling.The microstructure of the rolled wire is characterized by a macroscopic inverse gradient from boundaries to the center—the average sizes of grain and martensite domain evolve from micrometer to nanometer scale.The iGNS leads to a gradient martensitic transforma-tion upon stress,which has been proved to be effectively reversible via in-situ bending scanning electron microscopy(SEM)observations.The iGNS Ti-50.3Ni SMA exhibits quasi-linear superelasticity(SE)in a wide temperature range from 173 to 423 K.Compared to uniform cold rolling,the gradient cold rolling with less overall plasticity further improves SE strain(up to 4.8%)and SE efficiency.In-situ tensiling synchrotron X-ray diffraction(SXRD)analysis reveals the underlying mechanisms of the unique SE in the iGNS SMAs.It provides a new design strategy to realize excellent SE in SMAs and sheds light on the advanced GNS metallic materials.

Toughening and Responsive Contractile Shape Memory Fibrous Membrane via Water for Mechanically Active Wound Dressing

Conventional wound dressings only protect passively against bacterial infection.Emerging mechanically active adhesive dressings(AADs)are inspired by the active closure of embryonic wounds.It can promote wound healing by actively con-tracting the wound bed.AADs meet the requirements of high toughness,stimulus-response,and dynamic adhesion proper-ties,which are challenging.Hence,we construct a water-responsive shape memory polyurea fibrous membrane(PU-fm)featuring favorable toughness,wet-adhesion,breathability,absorbency of four times its weight,and antibacterial.First,the water-toughened electrospun PU-fm is fabricated using a homemade polyurea(PU)elastomer with multistage hydrogen bond networks as a spinning solution.Furthermore,a Janus-structured polyurea-polydopamine-silver fibrous membrane(PU@PDA@Ag-fm)is engineered,integrating antibacterial properties without compromising mechanical robustness.It demonstrates strong adhesion to the skin,actively promotes wound contraction,and enables adaptive wrapping of tissues of varying sizes by the water-driven shape memory effect.Antibacterial tests and wound healing experiments indicate that the PU@PDA@Ag-fm has favorable antibacterial properties against Escherichia coli(E.coli)and accelerates the wound healing rate by 20%.For the first time,water-responsive shape memory PU-fm as the AADs is constructed,providing a new strategy for wound management.This can be extended to applications in other smart devices for biomedicine such as tendon repair,and bioelectronic interfaces.

Two-Way 4D Printing： A Review on the Reversibility of 3D-Printed Shape Memory Materials

The rapid development of additive manufacturing and advances in shape memory materials have fueled the progress of four-dimensional （4D） printing. With the right external stimulus, the need for human interaction, sensors, and batteries will be eliminated, and by using additive manufacturing, more complex devices and parts can be produced. With the current understanding of shape memory mechanisms and with improved design for additive manufacturing, reversibility in 4D printing has recently been proven to be feasible. Conventional one-way 4D printing requires human interaction in the programming （or shapesetting） phase, but reversible 4D printing, or two-way 4D printing, will fully eliminate the need for human interference, as the programming stage is replaced with another stimulus. This allows reversible 4D printed parts to be fully dependent on external stimuli; parts can also be potentially reused after every recovery, or even used in continuous cycles-an aspect that carries industrial appeal. This paper presents a review on the mechanisms of shape memory materials that have led to 4D printing, current findings regarding 4D printing in alloys and polymers, and their respective limitations. The reversibility of shape memory materials and their feasibility to be fabricated using three-dimensional （3D） printing are summarized and critically analyzed. For reversible 4D printing, the methods of 3D printing, mechanisms used for actuation, and strategies to achieve reversibility are also highlighted. Finally, prospective future research directions in reversible 4D printing are suggested.

Effect of solution treatment and aging on microstructural evolution and mechanical behavior of NiTi shape memory alloy

As-received nickel-titanium （NiTi） shape memory alloy with a nominal composition of Ni50.9Ti49.1 （mole fraction,%） was subjected to solution treatment at 1123 K for 2 h and subsequent aging for 2 h at 573 K, 723 K and 873 K, respectively. The influence of solution treatment and aging on microstructural evolution and mechanical behavior of NiTi alloy was systematically investigated by transmission electron microscopy （TEM）, high resolution transmission electron microscopy （HRTEM）, scanning electron microscopy （SEM） and compression test. Solution treatment contributes to eliminating the Ti2Ni phase in the as-received NiTi sample, in which the TiC phase is unable to be removed. Solution treatment leads to ordered domain of atomic arrangement in NiTi alloy. In all the aged NiTi samples, the Ni4Ti3 precipitates, the R phase and the B2 austenite coexist in the NiTi matrix at room temperature, while the martensitic twins can be observed in the NiTi samples aged at 873 K. In the NiTi samples aged at 573 and 723 K, the fine and dense Ni4Ti3 precipitates distribute uniformly in the NiTi matrix, and thus they are coherent with the B2 matrix. However, in the NiTi sample aged at 873 K, the Ni4Ti3 precipitates exhibit the very inhomogeneous size, and they are coherent, semi-coherent and incoherent with the B2 matrix. In the case of aging at 723 K, the NiTi sample exhibits the maximum yield strength, where the fine and homogeneous Ni4Ti3 precipitates act as the effective obstacles against the dislocation motion, which results in the maximum critical resolved shear stress for dislocation slip.

Effects of second phases on mechanical properties and martensitic transformations of ECAPed TiNi and Ti-Mo based shape memory alloys

TiNi and Ti-based shape memory alloys were processed by equal channel angular pressing （ECAP） at 673-773 K along Bc route to obtain ultrafine grains for increasing the strength of parent phase and improving the functional properties. The effects of both thermodynamically stable and metastable second phases on the mechanical properties and martensitic transformations of these alloys were investigated. It is found that thermodynamically stable Ti2Ni phase has no effect on martensitic transformation and superelasticity of Ti-rich TiNi alloy, thermodynamically stable α phase is harmful for ductility of Ti-Mo-Nb-V-Al alloy, but metastable Ti3Ni4 phase is effective for R phase transformation, martensitic transformation and superelasticity of Ni-rich TiNi alloy. The mechanisms of the second phases on the martensitic transformations and mechanical properties were discussed.

Dynamic recovery and dynamic recrystallization of NiTi shape memory alloy under hot compression deformation

Mechanical behavior of nickel？titanium shape memory alloy（NiTi SMA） under hot deformation was investigated according to the true stress—strain curves of NiTi samples under compression at the strain rates of 0.001-1 s-1 and at the temperatures of 600？1000℃.Dynamic recovery and dynamic recrystallization of NiTi SMA were systematically investigated by microstructural evolution.The influence of the strain rates,the deformation temperatures and the deformation degree on the dynamic recovery and dynamic recrystallization of NiTi SMA was obtained as well.NiTi SMA was characterized by the combination of dynamic recovery and dynamic recrystallization at 600℃ and 700℃,but the complete dynamic recrystallization occurred at other deformation temperatures.Increasing the deformation temperatures or decreasing the stain rates leads to larger equiaxed grains.The deformation degree has an important influence on the dynamic recrystallization of NiTi SMA.There exists the critical deformation degree during the dynamic recrystallization of NiTi SMA,beyond which the larger deformation degree contributes to obtaining the finer equiaxed grains.

Crystallization of amorphous NiTi shape memory alloy fabricated by severe plastic deformation

Based on the local canning compression,severe plastic deformation（SPD） is able to lead to the almost complete amorphous nickel-titanium shape memory alloy（NiTi SMA）,in which a small amount of retained nanocrystalline phase is embedded in the amorphous matrix.Crystallization of amorphous NiTi alloy annealed at 573,723 and 873 K was investigated,respectively.The crystallization kinetics of the amorphous NiTi alloy can be mathematically described by the Johnson-MehlAvrami-Kolmogorov（JMAK） equation.NiTi SMA with a complete nanocrystalline phase is obtained in the case of annealing at 573 K and 723 K,where martensite phase transformation is suppressed due to the constraint of the grain boundaries.Crystallization of amorphous NiTi alloy at 873 K leads to the coarse-grained NiTi sample,where（001） martensite compound twin is observed at room temperature.It can be found that the martensitic twins preferentially nucleate at the grain boundary and they grow up towards the two different grains.SPD based on the local canning compression and subsequent annealing provides a new approach to obtain the nanocrystalline NiTi SMA.

Influence of Ni_4Ti_3 precipitates on phase transformation of NiTi shape memory alloy

Ni Ti shape memory alloy samples were aged for 2 h at 573, 723 and 873 K, respectively. Two R-phase variants are observed in the Ni Ti samples aged at 573 and 723 K, where the orientation relationship between the two R-phase variants and the B2 matrix is determined. In the Ni Ti samples aged at 573 and 723 K, fine and homogeneous Ni4Ti3 precipitates are coherent with the B2 austenite matrix. The Ni4Ti3 particles precipitate in the grain interior and at the grain boundaries, where the heterogeneous Ni4Ti3 precipitates are coherent, semi-coherent and incoherent with the B2 matrix in the Ni Ti sample aged at 873 K. As for the Ni Ti sample aged at 873 K, one-stage phase transformation from B19＇ martensite to B2 austenite occurs on heating, but two-stage phase transformation of B2-R-B19＇ arises on cooling. The Ni Ti sample aged at 723 K shows two-stage phase transformation of B2-R-B19＇ on cooling as well, but exhibits two-stage phase transformation of B19＇-R-B2 on heating. The Ni Ti sample aged at 573 K exhibits three-stage transformation on cooling due to local stress inhomogeneity and local composition inhomogeneity around the Ni4Ti3 precipitates.

Microstructure and properties of laser micro welded joint of TiNi shape memory alloy

Butt welding of 0.2 mm-thick TiNi shape memory alloy sheet （SMA） was carried out using impulse laser, and tensile strength, fracture morphology, microstructure and phase change behaviour of welded joint were studied. The results show that using impulse laser can realize good butt welding of TiNi SMA sheet, tensile strength of welded joint is 683 MPa, which achieves 97% of that of cold rolled base metal, and the fracture mode of welded joint is ductile type as well as base metal. The welded joint can be divided into four zones according to grain size and microstructure. The microstructures of welded seam center zone are fine equiaxed crystals and the microstructures of both lower surface and upper surface edge zones are columnar crystals. When welded joint is vacuum annealed after welding, the phase transformation process is basically similar to the annealed base metal.

Influence of cooling rate on phase transformation and microstructure of Ti-50.9%Ni shape memory alloy

Heat treatment of Ti-50.9%Ni （mole fraction） alloy was studied by differential scanning calorimetry, X-ray diffraction, scanning electron microscopey and energy dispersive X-ray analysis to investigate the influence of cooling rate on transformation behavior and microstructures of NiTi shape memory alloy. The experimental results show that three-stage phase transformation can be induced at a very low cooling rate such as cooling in furnace. The cooling rate also has a great influence on the phase transformation temperatures. Both martensitic start transformation temperature （Ms） and martensitic finish transformation temperature （Mf） decrease with the decrease of the cooling rate, and decreasing the cooling rate contributes to enhancing the M→A austenite transformation temperature. The phase transformation hysteresis （Af-Mf） increases with the decrease of the cooling rate. Heat treatment is unable to eliminate the textures formed in hot working of NiTi sample, but can weaken the intensity of them. The cooling rate has little influence on the grain size.

Plastic yielding of NiTi shape memory alloy under local canning compression

As a new attempt, local canning compression was applied in order to implement large plastic deformation of nickel-titanium shape memory alloy （NiTi SMA） at room temperature. The plastic mechanics of local canning compression of NiTi SMA was analyzed according to the slab method as the well as plastic yield criterion. Transmission electron microscopy （TEM）, high resolution transmission electron microscopy （HRTEM） and scanning electron microscopy （SEM） were used to study the microstructural evolution as well as deformation behavior of NiTi samples under local canning compression. Increasing the hydrostatic pressure with the increase in the outer diameters of the steel cans is responsible for suppressing the initiation and growth of the micro-cracks, which contributes to enhancing the plasticity ofNiTi SMA and avoiding the occurrence of brittle fracture. Plastic deformation of NiTi SMA under a three-dimensional compressive stress state meets von-Mises yield criterion at the true strains ranging from about 0.15 to 0.50, while in the case of larger plastic strain, von-Mises yield criterion is unable to be met since the amorphous phase arises in the deformed NiTi sample.

Equal channel angular extrusion of NiTi shape memory alloy tube

As a new attempt, equal channel angular extrusion （ECAE） of nickel-titanium shape memory alloy （NiTi SMA） tube was investigated by means of process experiment, finite element method （FEM） and microscopy. NiTi SMA tube with the steel core in it was inserted into the steel can during ECAE of NiTi SMA tube. Based on rigid-viscoplastic FEM, multiple coupled boundary conditions and multiple constitutive models were used for finite element simulation of ECAE of NiTi SMA tube, where the effective stress field, the effective strain field and the velocity field were obtained. Finite element simulation results are in good accordance with the experimental ones. Finite element simulation results reveal that the velocity field shows the minimum value in the corner of NiTi SMA tube, where severe shear deformation occurs. Microstructural observation results reveal that severe plastic deformation leads to a certain grain orientation as well as occurrence of substructures in the grain interior and dynamic recovery occurs during ECAE of NiTi SMA tube. ECAE of NiTi SMA tube provides a new approach to manufacturing ultrafine-grained NiTi SMA tube.

Microstructure,mechanical and shape memory properties of Ti-55Ta-xSi biomedical alloys

The effects of Si addition on microstructures, mechanical and shape memory properties of Ti-55Ta biomedical alloy were investigated. The results show that the microstructures consist of mainly α′′ martensite and a little β phase, and the grain size decreases obviously with increasing Si addition. When x = 0.2, small （Ti, Ta）3Si precipitates are formed at grain boundaries. With further increasing Si content, the amount of the precipitates gradually increases. The tensile and yield strength of Ti-55Ta-xSi alloys gradually increase with increasing Si addition, whereas elongation decreases. Ti-55Ta-0.1Si alloy exhibits the lowest elastic modulus and the best shape memory recoverable strain. It is revealed that the refinement of grain and the precipitation of （Ti, Ta）3Si phase are responsible to the changes of their mechanical and shape memory properties.

Finite element simulation of ball spinning of NiTi shape memory alloy tube based on variable temperature field

As a new attempt,ball spinning was used to manufacture the nickel-titanium shape memory alloy（NiTi SMA） tube at elevated temperature.The NiTi bar with a nominal composition of Ni50.9Ti49.1（mole fraction,%） was solution treated and was used as the original tube blank for ball spinning.Based on the variable temperature field and the constitutive equation,rigid-viscoplastic finite element method（FEM） was applied in order to simulate the ball spinning of NiTi SMA tube.The temperature field,the stress field,the strain field and the load prediction were obtained by means of FEM.FEM results reveal that there is a temperature increase of about 160 ℃ in the principal deformation zone of the spun part.It can be found from the stress fields and the strain fields that the outer wall of NiTi SMA tube is easier to meet the plastic yield criterion than the inner wall,and the plastic deformation zone is caused to be in a three-dimensional compressive stress state.The radial strain and the tangential strain are characterized by the compressive strain,while the axial strain belongs to the tensile strain.The variation of spinning loads with the progression of the ball is of great importance in predicting the stable flow of the spun part.

Welding of shape memory alloy to stainless steel for medical occluder

Dissimilar metal joining between NiTi shape memory alloy（SMA） and stainless steel was conducted.A cluster of NiTi SMA wires were first joined with tungsten inert gas（TIG） welding process,then the NiTi SMA TIG weld was welded to a stainless steel pipe with laser spot welding process.The microstructure of the welds was examined with an optical microscope and the elemental distribution in the welds was measured by electron probe microanalysis（EPMA）.The results show that TiC compounds dispersively distribute in the NiTi SMA TIG weld.However,the amount of TiC compounds greatly decreases around the fusion boundary of the laser spot weld between the NiTi SMA and stainless steel.Mutual diffusion between NiTi shape memory alloy and stainless steel happen within a short distance near the fusion boundary,and intermetallic compounds such as Ni3Ti＋（Fe,Ni）Ti appear around the fusion boundary.

Fracture behavior and microstructure of as-cast NiTi shape memory alloy

The as-cast ingot of equiatomic nickel-titanium shape memory alloy （NiTi SMA） was prepared by vacuum consumable arc melting. The tensile tests and the compressive tests with respect to as-cast NiTi SMA were performed to study its mechanical properties of fracture. The microanalysis of as-cast NiTi SMA as well as its fractured samples was performed so as to better understand microstructure evolution and fracture behavior of NiTi SMA. Under tensile loading, the as-cast NiTi SMA shows higher plasticity and is characterized by ductile fracture at 750℃, but it demonstrates poorer plasticity and is characterized by cleavage fracture as well as transcrystalline fracture at room temperature and -100 ℃. Under compressive loading at -100 ~C, the as-cast NiTi SMA is characterized by shear fracture where the normal to the shearing fracture surface inclines about 45° to the compressive axis, and belongs to cleavage fracture where the cracks exoand via transcrvstalline fracture.