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.

Effect of annealing temperature on martensitic transformation of Ti_(49.2)Ni_(50.8) alloy processed by equal channel angular pressing

The effect of annealing temperature on the martensitic transformation of a Ti49.2Ni50.8 alloy processed by equal channel angular pressing （ECAP） was investigated by X-ray diffraction （XRD）, transmission electron microscopy （TEM） and differential scanning calorimetry （DSC）. The as-ECAP processed and subsequently annealed Ti49.2Ni50.8 alloys consist of B2 parent phase, Ti4Ni2O phase and B19′ martensite at room temperature. Upon cooling, all samples show B2→R→B19′ two-stage transformation. Upon heating, when the annealing temperature is less than 400℃, the samples show B19′→R→B2 two-stage transformation; when the annealing temperature is higher than 500 ℃, the samples show B19′→B2 single-stage transformation. The B2-R transformation is characterized by wide interval due to the dislocations introduced during ECAP.

COUPLED NUMERICAL SIMULATION ON COLD ROLLER'S TEMPERATURE FIFLD-PHASE TRANSFORMATION - STRESS FIELD DURING ITS QUENCHING PSOCESS

Complicated changns occur inside the steel parts during quenching process. The abruptly changed boundary conditions make the temperature field,micro - structure and stress field change dramatically in very short time, and these variables take a contact interactions in the whole process. In this paper, a three dimensional non - linear mathematical model for queeching process has been founded and the numerical simulation on temperature field,microstructre and stress field has been realized.In the FEM analysis, the incremental iteration method is used to deal with such complicated nonlinear as boundary nonlinear, physical property nonlinear,transformation nonlinear etc.The effect of stress on transformation kinetics has been considered in the calculation of microstructure. In the stress field anal- ysis,a thermo- elasto - plastic model has been founded, which considers such factors as transforma- tion strain,transformation plastic strain, themal strain and the effect of temperature and transforma- tion on mechanical propertier etc. The transient temperature field, microstructure distribution and stress field of the roller on any time can be displayed vividly,and the cooling curve and the changes of stress on any position can also be given.

Effects of thermomechanical cycling on the shape memory behavior and transformation temperatures of a Ni50.2Ti49.8 alloy

The effects of thermomechanical cycling on the shape memory behavior and transformation temperatures of a Ni50.2Ti49.8 alloy under a constant applied stress of 300 MPa were investigated, k is believed that thermomechanical cycling induces defects such as dislocations, which evidently affect the shape memory behavior and transformation temperatures. The recovery strain decreases with increasing number of thermomechanical cycles, whereas the irreversible plastic strain increases, especially in the initial few cycles. The stored elastic strain energy has an important influence on transformation temperatures, the A5^σ decreases and the M5^σ increases with increasing number of thermomechanical cycles. The recovery strain, irreversible plastic strain, A5^σ , and M5^σ reach a saturation value after several cycles.

CALCULATION OF 3-D TRANSIENT TEMPERATURE FIELD DURING LASER TRANSFORMATION HARDENING PROCESS

A three-dimensional transient heat transfer model for laser transformation hardening process has been developed in this paper. The finite size of the laser treated sample, the surface heat loss of the sample, the latent heat of phase transformation and the temperature dependence of thermal properties of materials were considered. The heat source was considered as a moving Gaussian heat flux with a constant velocity. Three-dimension unequally spatial grid explicit finite difference equations, alternating direction implicit finite difference equations and implicit finite difference equations were deduced respectively. Three programs to calculate the temperature field were developed using Fortran language. The transient temperature fields of C22, 42CrMo, C60 steel samples during laser transformation hardening process were calculated using these programs, and the widths and depths of laser transformation hardening zones were also predicted. C22, 42CrMo, C60 steel samples were treated by CO_2 laser,the widths and depths of laser transformation hardening zones of these samples were also measured experimentally. The calculated widths and depths of laser transformation hardening zones are in good agreement with the experimental results.

Calculation of Temperature Field During Laser Transformation Hardening of Cylindrical Bodies

A Two-dimensional transient heat transfer model for laser transformation hardening process of cylindrical bodies has been developed. The surface heat loss of the sample, the latent heat of phase transformation, and the temperature dependence of thermal properties of material were considered. The laser heat source was considered as a moving Gaussian heat flux with a constant velocity. Finite element method was used to calculate the transient temperature field. A program to calculate the temperature field was developed using FORTRAN language. The transient temperature field, the width and depth of laser transformation hardening zone of 42CrMo steel sample during laser transformation hardening process was calculated. The widths and depths of laser transformation hardening zones of 42CrMo steel samples were also measured experimentally. The calculated widths and depths of laser transformation hardening zones are in good agreement with the experimental results.

First-principles study on the effect of Hf content on martensitic transformation temperature of TiNiHf alloy

In this paper a first-principles study of the electronic structure and stability of B2 Ti1-xNiHfx （x = 0.2, 0.4, 0.6） and B19′ Ti1-xNiHfx（x = 0, 0.5） alloys is presented. The calculations are performed by the plane-wave pseudopotential method in the framework of the density functional theory with the generalized gradient approximation. This paper calculates the lattice parameters, density of states, charge density, and heats of formation. The results show that the electronic structure and stability of B2 Ti1-xNiHfx change gradually with Hf content. However, Hf content has little effect on the electronic structure and stability of B19′ Ti1-xNiHfx. The mechanism of the effect of Hf content on martensitic transformation temperature of TiNiHf alloys is studied from the electronic structure.

Influence of coal blending on mineral transformation at high temperatures

Transformation of mineral matter is important for coal utilization at high temperatures.This is especially true for blended coal.XRD and FTIR were employed together to study the transformation of mineral matter at high temperature in blended coals.It was found that the concentration of catalytic minerals, namely iron oxides, increases with an increasing ratio of Shenfu coal, which could improve coal gasification.The transformation characteristics of the minerals in blended coals are not exactly predictable from the blend ratio.This was proved by comparing the iron oxide content to the blending ratio.The results from FTIR are comparable with those from XRD.FTIR is an effective method for examining variation in mineral matter.

Phase Transformation and Thermal Stability of Aged Ti-Ni-Hf High Temperature Shape Memory Alloys

The use of Ni-rich TiNiHf alloys as high temperature shape memory alloys （SMAs） through aging has been presented. For Ni-rich Ti80-xNixHf20 alloys, their phase transformation temperatures are averagely increased more than 100 K by aging at 823 K for 2 h. Especially for the alloys with Ni-content of 50.4 at. pct and 50.6 at. pct, their martensitic transformation start temperatures （Ms） are more than 473 K after aging. TEM observation confirmed that some fine particles precipitate from the matrix during aging. The aged Ni-rich TiNiHf SMAs show the better thermal stability of phase transformation temperatures than the solutiontreated TiNiHf alloys. The fine particles precipitated during aging should be responsible for the increase of phase transformation temperatures and its high stability.

Low Co-Cultivation Temperature at 20°C Resulted in the Reproducible Maximum Increase in Both the Fresh Weight Yield and Stable Expression of GUS Activity after <i>Agrobacterium tumefaciens</i>-Mediated Transformation of Tobacco Leaf Disks

The importance of controlled temperature during the four-days co-cultivation period was evaluated under the most physiologically relevant conditions for Agrobacterium tumefaciens-mediated transformation of tobacco (Nicotiana tabacum L. cv. Xanthi (nn, Smith)) leaf disks. We compared the effect of temperatures ranging from 15°C, 18°C, 20°C, 22°C to 25°C on the stable expression of β-glucuronidase (GUS) activity of 14 days old hygromycin-selected leaf disks, and on the increase in the fresh weight yield of 28 days old kanamycin-selected calli. The highest average of GUS activity was obtained at 20°C among the five temperatures tested although the difference between the 18°C and 20°C treatment was not statistically significant. The GUS activity at 15°C was statistically lower than those at 18°C and 20°C. The GUS activity in 22°C treatment was an intermediate between the highest (18/20°C) and second highest averages (15°C), and was not statistically significantly different. The lowest average of GUS activity was observed at 25°C. The highest increase in the plate average of fresh weight yield was obtained at 20°C among the five temperature tested. The 20°C treatment was statistically significantly better than the 15°C and 18°C treatments. The 20°C co-cultivation treatment resulted in the higher FW yield than 22°C and 25°C even though the differences were not statistically significant. In conclusion, low co-cultivation temperature at 20°C resulted in the reproducible maximum increase in both the fresh weight yield and stable expression of GUS activity after transformation of tobacco leaf disks.

Effect of heat treatment on the transformation behavior and temperature memory effect in TiNiCu wires

The effect of heat treatment on the phase transformation behavior of TiNiCu shape memory alloy wires and the temperature memory effect in this alloy were investigated by the resistance method. These results showed that with increasing annealing temperature and annealing time, the phase transformation temperatures of TiNiCu wires were shifted to higher temperatures in the heating and cooling process. It was also found that incomplete thermal cycles, upon heating the TiNiCu wires, which were arrested at a temperature between the start and finish temperatures of the reverse martensite transformation, could induce a kinetic stop in the next complete thermal cycle. The kinetic stop temperature was closely related to the previous arrested temperature. This phenomenon was defined as the temperature memory effect. The result of this study was consistent with the previous report on the phenomenon obtained using the differential scanning calorimetry method, indicating that temperature memory effect was a common phenomenon in shape memory alloys.

Phase Transformation Strengthening of Hot Extruded Inconel 625 under High-temperature Load Environment

Microstructure evolution and properties of hot-extruded Inconel 625 alloy were investigated at different creep temperatures, aging time and strain rates. The experimental results indicate that the Inconel 625 alloy exhibits an excellent creep resistance at 700 ℃ and below. When the creep temperature rises to 750 ℃, the creep resistance falls drastically due to the failure of phase transformation strengthening and the precipitation of a large amount of δ phase and σ phase at the grain boundary. The special temperature-sensitive characteristics of Inconel 625 alloy play a very important role in its fracture. When the strain rate is 8.33×10^-3s^-1, the strength of the specimen is higher than that of other parameters attributed to the effect of phase transformation strengthening. With the increase of Ni3(Al, Ti), the phase transformation strengthening inhibits thickening of the stacking faults into twins and improves the overall mechanical properties of the alloy. With the increase of the aging time, the granular Cr-rich M23C6 carbides continue to precipitate at the grain boundary, which hinders the movement of the dislocations and obviously increases the strength of the samples. Especially, the yield strength increases several times.

The Reverse Transformation Behavior of TiNi Shape Memory Alloy Wires Prestrained at Different Temperatures

The reverse transformation behavior of TiNi alloy wires prestrained at different temperatures is studied in this paper. Experimental results show that prestrain at different temperatures obviously affects the reverse transformation behavior of the TiNi alloy wire. A single peak appears on the DSC curves of wires prestrained at 253-313K (in the martensite state). However deformed at 333K, three consecutive peaks appear on the DSC curves of wires with a smaller prestrain and a single peak appears on the DSC curves of the wires with a larger prestrain. The recovery strain ratio of the wires prestrained at 253-313K are very similar. However, the ratio of the wire predeformed at 333K is obviously smaller than that of the wire prestrained in the martensite state.

Effects of nano-AlN on phase transformation of low temperature vitrified bond during sintering process

The effects of nano-AlN and sintering temperature on bending strength and wear resistance of low temperature vitrified bond for diamond grinding tools were studied. Furthermore, the phase transformation during sintering process was investigated by means of thermo-gravimetric analysis (TG), differential thermal analysis (DTA) and X-ray diffraction (XRD). The results show that the higher bending strength and wear resistance of low temperature vitrified bond are obtained by adding nano-AlN in bonds and sintering at optimum temperature. Nano-AlN added in bonds promotes the crystallization during sintering process and refines the grain sizes of crystalline phase.

Influence of temperature rate on transitory internal friction during reverse martensitic transformation for Ti_(50)Ni_(27)Cu_(23) alloy

Internal friction （IF） spectra during reverse martensitic transformation from 35 to 135°C at different temperature rates of 0.5,0.75,and 1°C/min for Ti50Ni27Cu23 shape memory alloy （SMA） samples were measured with a dynamic mechanical analyzer,respectively.The IF spectra were characterized by IF peak increasing progressively and peak shifting toward high temperature with an increase in temperature rate.An iterative approach was used to calculate the precise intrinsic and approximate transitory IF contributions to the normal IF spectrum.The quantitatively analyzed results indicate that the transitory IF of this alloy is nonlinearly dependent on the temperature rate and obeys a power law with a power coefficient of 0.55.The predicted and experimental IF spectra at different temperature rates of 0.75 and 1°C/min agree well with each other,respectively.

In-Situ High Temperature X-Ray Diffraction Study of Structure and Phase Transformation of Nd-FePt Alloys

The structure and disorder-order transformation of NdxFe60.5-x Pt39.5（x = 0, 0.5, 1.0, 1.5） alloys were investigated in situ by high temperature X-ray diffraction. The results show that the lattice parameter a of disordered γ phase （FCC, Al structure type） and the lattice parameter ratio c/a of ordered γ1 phase （FCT, L10 structure type） increase linearly with increasing Nd concentration, whereas the c/a ratio decreases with increasing temperature. The transition temperature from ordered FCT to disordered FCC decreases with increasing Nd concentration, but for alloys quenched rapidly from γ phase region into ice-water it increases with increasing Nd.

Effects of tensile temperatures on phase transformations in zirconium by molecular dynamics simulations

The effects of tensile temperatures ranging from 100 K to 900 K on the phase transition of hexagonal close-packed(HCP)zirconium were investigated by molecular dynamics simulations,which were combined with experimental observation under high resolution transmission electron microscopy.The results show that externally applied loading first induced the HCP to body-centered cubic(BCC)phase transition in the Pitsch-Schrader(PS)orientation relationship(OR).Then,the face-centered cubic(FCC)structure transformed from the BCC phase in the Bain path.However,the HCP-to-BCC transition was incomplete at 100 K and 300 K,resulting in a prismatic-type OR between the FCC and original HCP phase.Additionally,at the temperature ranging from 100 K to 600 K,the inverse BCC-to-HCP transition occurred locally following other variants of the PS OR,resulting in a basal-type relation between the newly generated HCP and FCC phases.A higher tensile temperature promoted the amount of FCC phase transforming into the BCC phase when the strain exceeded 45%.Besides,the crystal stretched at lower temperatures exhibits relatively higher strength but by the compromise of plasticity.This study reveals the deformation mechanisms in HCP-Zr at different temperatures,which may provide a better understanding of the deformation mechanism of zirconium alloys under different application environments.

Factors Affecting Transformation Temperatures in Fe-Mn-Si-Cr-Ni Shape Memory Alloy

The effects of prestrain and annealing temperature on phase transformation temperatures in Fel4Mn5Si8Cr4Ni shape memory alloy have been studied. The results showed that when the annealing temperature was 673 K, both the At and the Ms temperatures increased appreciably as the prestrain increased, the As temperature increased slightly with increasing prestrain; the resistivity difference at 303 K between the heating and cooling curve also increased with increasing prestrain, which agreed with the recovery strain. The shape memory effect in Fe-Mn-Si-Cr-Ni shape memory alloy is caused by the stress-induced γ→ε martensite transformation and its reverse transformation. When the prestrain was 10%, the Ms temperature decreased remarkably as the annealing temperature increased.

MORPHOLOGY AND STRUCTURE OF TRANSFORMATION PRODUCTS FORMED AT INTERMEDIATE TEMPERATURE IN A Cu-Zn-Al ALLOY

A TTT diagram for th ie precipitation formed at some intermediate temperatures through cooling from high lemperalure parenl phase in a Cu-27 27Zn-3.73Al allay is established by means of dilatormetric measurement.The morphology and structure of transformation products formed at some intermediate tem peratures isothermally through cooling from high temperature parent phase and up-quenching from DO_(3) parent phase are studied by metallographic.X-ray and electron microscopy analyses.Three regions in the two separate C curves are obtained according to different morphology of precipitate:rod-like a,plate-like bainite and a rods,and bainite plates.Prolonged aging makes bainite plate change gradually into a whose lattice parameters are no different from that of a formed equilibriumly from parent phase.The structure is almost orthorhombic long period structure for bainites formed from B_(2) and DO_(3) parent phase,but monoclinic for martensite from DO_(3).They correspond to the overlapping and separating of(1210)and(2010)diffraction peaks respectively,showing the lower degree of ordering in bainite.

Effect of high magnetic field on phase transformation temperature and microstructure of Fe-based Alloys

The effect of a high magnetic field up to 30T on phase transformation temperature and microstructure of Fe-based alloys has been reviewed. A high magnetic field accelerates ferrite transformation, changes the morphology of the transformed microstructures and increases the A3 and A1 temperature. In a magnetic field of 30T, the A1 temperature increases by about 37.1℃ for Fe-0.8C, the A3 temperature for pure Fe increases by about 33.1℃. The measured transformation temperature data are not consistent with calculation results using Weiss molecular field theory. Ferrite grains are elongated and aligned along the direction of magnetic field in Fe-0.4C and Fe-0.6C alloys by ferrite transformation, but elongated and aligned structure was not found in pure Fe, Fe-0.05C alloy and Fe-1.5Mn-0.11C-0.1V alloy.