The elastocaloric effect in the vicinity of the martensitic transition of a Cu-Zn-Al has been studied by inducing the transition by strain or stress measurements. While transition trajectories show significant differences, the entropy change associated with the whole transformation (\DeltaSt) is coincident in both kind of experiments since entropy production is small compared to \DeltaSt. The values agree with estimations based on the Clausius- Clapeyron equation. The possibility of using these materials for mechanical refrigeration is also discussed.
The NiTi shape memory alloy exhibited excellent superelastic property and elastocaloric effect. Large temperature changes of 30 K upon loading and -19 K upon unloading were obtained at room temperature, which were higher than those of the other NiTi-based materials and among the highest values reported in the elastocaloric materials. The asymmetry of the measured temperature changes between loading and unloading process was ascribed to the friction dissipation. The large temperature changes originated from the large entropy change during the stress-induced martensite transformation (MT) and th…
The elastocaloric (eC) effects of natural rubber (NR) and shape memory alloys (SMAs) are compared and potential improvement for eC performances of SMAs is proposed. Both the plateau and hysteresis of stress-strain curve in NR and SMAs are observed. They are attributed to the similar phase transformation: strain-induced crystallization (SIC) in NR and martensitic transformation in SMAs. For NR, the drawback of large strain can be reduced by pre-strain. For SMAs, the stress change with strain is smaller in stress plateau regime. Thus, the drawback of large dynamic stress of SMAs is proposed to b…
Shape memory alloys are a class of ferroic materials which undergo a structural (martensitic) transition where the associated ferroic property is a lattice distortion (strain). The sensitiveness of the transition to the conjugated external field (stress), together with the latent heat of the transition gives rise to giant mechanocaloric effects. In non-magnetic shape memory alloys, the lattice distortion is mostly described by a pure shear and the martensitic transition in this family of alloys is strongly affected by uniaxial stress whereas it is basically insensitive to hydrostatic pressure.…
Thermo-mechanically coupled phase-field fracture model considering elastocaloric effect of shape memory alloy
Nanjing University of Aeronautics and Astronautics（南京航空航天大学）；IMT School for Advanced Studies Lucca（卢卡高等研究院）；Instituto de Ciencia de Materiales de Madrid (ICMM-CSIC)（马德里材料科学研究所）；Peter the Great St. Petersburg Polytechnic University（圣彼得堡彼得大帝理工大学）
Elastocaloric cooling, which exploits the latent heat released and absorbed as stress-induced phase transformations are reversibly cycled in shape memory alloys, has recently emerged as a frontrunner in non-vapor-compression cooling technologies. The intrinsically high thermodynamic efficiency of elastocaloric materials is limited only by work hysteresis. Here, we report on creating high-performance low-hysteresis elastocaloric cooling materials via additive manufacturing of Titanium-Nickel (Ti-Ni) alloys. Contrary to established knowledge of the physical metallurgy of Ti-Ni alloys, intermetal…
Ni$_{50}$Mn$_{34}$In$_{16}$ undergoes a martensitic transformation around 250 K and exhibits a field induced reverse martensitic transformation and substantial magnetocaloric effects. We substitute small amounts Ga for In, which are isoelectronic, to carry these technically important properties to close to room temperature by shifting the martensitic transformation temperature.
The structure, magnetic and martensitic properties of Fe doped Ni-Mn-In magnetic shape memory alloys have been studied by differential scanning calorimetry, magnetization, resistivity, X-ray diffraction (XRD) and EXAFS. While Ni$_{2}$MnIn$_{1-x}$Fe$_{x}$ ($0 \le x \le 0.6$) alloys are ferromagnetic and non martensitic, the martensitic transformation temperature in Ni$_{2}$Mn$_{1.5} $In$_{1-y}$Fe$_{y}$ and Ni$_{2}$Mn$ _{1.6} $In$_{1-y}$Fe$_{y}$ increases for lower Fe concentrations ($y \le 0.05$) before decreasing sharply for higher Fe concentrations. XRD analysis reveals presence of cubic and …
We study the temperature dependence of strain under constant magnetic-fields in Ni-Mn based ferromagnetic Heusler alloys in the form Ni-Mn-$X$ ($X$: Ga, In, Sn, Sb) which undergo a martensitic transformation. We discuss the influence of the applied magnetic-field on the nucleation of ferromagnetic martensite and extract information on the easy-axis of magnetization in the martensitic state.
Extended X-ray Absorption Fine Structure (EXAFS) studies on Ni$_{50}$Mn$_{25+x}$In$_{25-x}$ have been carried out at Ni and Mn K edge as a function of temperature. Thermal evolution of nearest neighbor Ni-Mn and Mn-Mn bond distances in the martensitic phase give a clear evidence of a close relation between structural and magnetic degrees of freedom in these alloys. In particular, the study highlights the role of Ni 3d - Mn 3d hybridization in the magnetism of martensitic phase of these alloys.
The local structural distortions arising as a consequence of increasing Mn content in Ni_2Mn_1+xIn_1-x (x=0, 0.3, 0.4, 0.5 and 0.6) and its effect on martensitic transformation have been studied using Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Using the room temperature EXAFS at the Ni and Mn K-edges in the above compositions, the changes associated with respect to the local structure of these absorbing atoms are compared. It is seen that in the alloys exhibiting martensitic transformation ($x \ge 0.4$) there is a significant difference between the Ni-In and Ni-Mn bond leng…
The entropy change $ΔS$ between the high-temperature cubic phase and the low-temperature tetragonally-based martensitic phase of Ni$_{2+x}$Mn$_{1-x}$Ga ($x = 0 - 0.20$) alloys was studied. The experimental results obtained indicate that $ΔS$ in the Ni$_{2+x}$Mn$_{1-x}$Ga alloys increases with the Ni excess $x$. The increase of $ΔS$ is presumably accounted for by an increase of magnetic contribution to the entropy change. It is suggested that the change in modulation of the martensitic phase of Ni$_{2+x}$Mn$_{1-x}$Ga results in discontinuity of the composition dependence of $ΔS$.
We report magnetization and differential thermal analysis measurements as a function of pressure accross the martensitic transition in magnetically superelastic Ni-Mn-In alloys. It is found that the properties of the martensitic transformation are significantly affected by the application of pressure. All transition temperatures shift to higher values with increasing pressure. The largest rate of temperature shift with pressure has been found for Ni$_{50}$Mn$_{34}$In$_{16}$ as a consequence of its small entropy change at the transition. Such a strong pressure dependence of the transition tempe…
The crystal structure and magnetoresponsive properties of Fe-doped MnCoGe alloys have been investigated using x-ray diffraction (XRD) and magnetic measurements. By alloying the Fe-containing isostructure compounds into MnCoGe, a magnetostructural transition from paramagnetic austenite to ferromagnetic martensite with large magnetization difference can be realized in a temperature window between the Curie temperatures of the austenite and martensite, resulting in magnetic-field-induced martensitic transformations and large magnetic-entropy changes. A structural and magnetic phase diagram of Fe-…
The corrosion property of Nickel-titanium (NiTi) shape memory alloy is investigated during forward martensitic transformation between 40C and 0C. The Differential Scanning Calorimetry technique is used to find the forward and reverse martensitic transformation temperatures. NiTi shows the present of martensitic phase at near room temperature by cooling from 80C. The change in corrosion behavior is monitored by electrochemical Open Circuit Potential (OCP) during phase transformation. Cyclic potentiodynamic polarization method is used to identify the corrosion compound of NiTi. Corrosion rate at…
Effect of the temperature and magnetic field induced martensitic transformation (MT) on the electronic structure and some physical properties of bulk Fe$_{45.2}$Mn$_{25.9}$Ga$_{28.9}$ Heusler alloy has been investigated. {According to the experimental results of DSC, magnetic and transport measurements direct and reverse martensitic transformation without external magnetic field takes place within 194 $\leq T \leq$ 328 K temperature range with a hysteresis up to $ΔT \approx$ 100 K defined as $ΔT$ = $A_{f,s}$ - $M_{s,f}$, where $A_{f,s}$ and $M_{s,f}$ are the critical temperatures of direct and…
The electronic structure, magnetism and phase stability of Pt2-xMn1+xGa(x=0, 0.25, 0.5, 0.75, 1) alloys are studied by first-principle calculations. The calculations reveal that a potential magnetic martensitic transformation can be expected in all the series. In addition, a large magnetic-field-induced strain is likely to appear in Pt2-xMn1+xGa(x=0, 0.25, 0.75, 1) alloys. The electronic structure calculations indicate that the tetragonal phase is stabilized upon the distortion because of the pseudogap formation at the Fermi Level. The magnetic structure is also investigated and the total magn…
The all-d-metal Mn2-based Heusler ferromagnetic shape memory alloys Mn50Ni40-xCoxTi10 (x = 8 and 9.5) are realized. With a generic comparison between d-metal Ti and main-group elements in lowering the transformation temperature, the magnetostructural martensitic transformations are established by further introducing Co to produce local ferromagnetic Mn-Co-Mn configurations. A 5-fold modulation and (3, -2) stacking of [00 10] of martensite are determined by XRD and HRTEM analysis. Based on the transformation, a large magneto-strain of 6900 ppm and a large volume change of -2.54% are observed in…
Ni57.5Mn17.5Ga25 shape memory alloy exhibits a complex transformation behavior, appearing after aging. Aging in the austenitic state resulted in an ordinary decrease of the martensitic transformation temperature. Contrary to this, aging in the martensitic state brought about unusual features of the martensitic transformation observed so far only in Ni-Ti alloys.
The magnetic properties of Mn$_{2}$Ni$_{(1+x)}$In$_{(1-x)}$ ($x$ = 0.5, 0.6, 0.7) and Mn$_{(2-y)}$Ni$_{(1.6+y)}$In$_{0.4}$ ($y$ = -0.08, -0.04, 0.04, 0.08) shape memory alloys have been studied. Magnetic interactions in the martensitic phase of these alloys are found to be quite similar to those in Ni$_2$Mn$_{(1+x)}$In$_{(1-x)}$ type alloys. Doping of Ni for In not only induces martensitic instability in Mn$_2$NiIn type alloys but also affects magnetic properties due to a site occupancy disorder. Excess Ni preferentially occupies X sites forcing Mn to the Z sites of X$_2$YZ Heusler composition…
We have studied the effect of ageing within the miscibility gap on the electric, magnetic and thermodynamic properties of a non-stoichiometric Heusler Cu-Al-Mn shape-memory alloy, which undergoes a martensitic transition from a $bcc$-based ($β$-phase) towards a close-packed structure ($M$-phase). Negative magnetoresistance which shows an almost linear dependence on the square of magnetization with different slopes in the $M$- and $β$-phases, was observed. This magnetoresistive effect has been associated with the existence of Mn-rich clusters with the Cu$_2$AlMn-structure. The effect of an appl…
We have carried out \textit{ab-initio} calculations of local structure of Mn and Ni in Mn$_{2}$Ni$_{1.5}$In$_{0.5}$ alloy with different site occupancies in order to understand the similarities in martensitic and magnetic properties of Mn$_{2}$Ni$_{1+x}$In$_{1-x}$ and Ni$_2$Mn$_{1+x}$In$_{1-x}$ alloys. Our results show that in Mn$_{2}$Ni$_{1+x}$In$_{1-x}$ alloys there is a strong possibility of Mn atoms occupying all the three, X, Y and Z sites of X$_2$YZ Heusler structure while Ni atoms preferentially occupy the X sites. Such a site occupancy disorder of Mn atoms is in addition to a local str…
Jerky elasticity was observed by dynamical mechanical analyzer measurements in a single crystal of the shape memory alloy Cu74.08Al23.13Be2.79. Jerks appear as spikes in the dissipation of the elastic response function and relate to the formation of avalanches during the transformation between the austenite and the martensite phase. The statistics of the avalanches follows the predictions of avalanche criticality P(E) proportional to E-epsilon where P(E) is the probability of finding an avalanche with the energy E. This result reproduces, within experimental uncertainties, previous findings by…
The different contributions to the entropy change linked to the austenite-martensitic transition in a Ni-Mn-Sn metamagnetic shape memory alloy have been determined by combining different experimental techniques. The vibrational contribution has been inferred from the vibrational density of states of both the martensitic and austenite phases. This has been accomplished by combining time-of-flight neutron scattering measurements and ab-initio calculations. Further, the electronic part of the entropy change has also been calculated. Since the martensitic transformation takes place between two par…
Modelling elastocaloric effect (eCE) is crucial for the design of environmentally friendly and energy-efficient eCE based solid-state cooling devices. Here, a thermodynamically consistent non-isothermal phase-field model (PFM) coupling martensitic transformation with mechanics and heat transfer is developed and applied for simulating eCE. The model is derived from a thermodynamic framework which invokes the microforce theory and Coleman--Noll procedure. To avoid the numerical issue related to the non-differentiable energy barrier function across the transition point, the austenite-martensite t…
A three-dimensional phase-field approach to martensitic transformations that uses reaction pathways in place of a Landau potential is introduced and applied to a model of Fe3Ni. Pathway branching involves an unbounded set of variants through duplication and rotations by the rotation point groups of the austenite and martensite phases. Path properties, including potential energy and elastic tensors, are calibrated by molecular statics. Acoustic waves are dealt with via a splitting technique between elastic and dissipative behaviors in a large-deformation framework. The sole free parameter of th…
High-entropy alloys (HEAs), and even medium-entropy alloys (MEAs), are an intriguing class of materials in that structure and property relations can be controlled via alloying and chemical disorder over wide ranges in the composition space. Employing density-functional theory combined with the coherent-potential approximation to average over all chemical configurations, we tune free energies between face-centered-cubic (fcc) and hexagonal-close-packed (hcp) phases in Fe$_{x}$Mn$_{80-x}$Co$_{10}$Cr$_{10}$ systems.~Within Fe-Mn-based alloys, we show that the martensitic transformation and chemic…
5% negative magnetoresistance (MR) at room temperature has been observed in bulk Ni_{2+x}Mn_{1-x}Ga. This indicates the possibility of using Ni_{2+x}Mn_{1-x}Ga as magnetic sensors. We have measured MR in the ferromagnetic state for different compositions (x=0-0.2) in the austenitic, pre-martensitic and martensitic phases. MR is found to increase with x. While MR for x=0 varies almost linearly in the austenitic and pre-martensitic phases, in the martensitic phase it shows a cusp-like shape. This has been explained by the changes in twin and domain structures in the martensitic phase. In the aus…
Molecular dynamics simulations show that coherent precipitates can significantly affect the properties of martensitic transformations in Ni$_{63}$Al$_{37}$ alloys. The precipitates, consisting of non-martensitic Ni$_{50}$Al$_{50}$, modify the free energy landscape that governs the phase transformation and result in a significant reduction of the thermal hysteresis, at comparably minor expense of transformation strain, and modification of transformation temperatures. Importantly, this paper shows that free energy landscape engineering is possible with nanostructures potentially accessible throu…
We have investigated the impact of covalent hybridization on martensitic structure and magnetic properties of Ni50Mn5+xGa35-xCu10 shape memory alloys. We found that the lattice distortion ((c-a)/a) of L10 martensite monotonously changes with the substitution of Mn for Ga atoms and shows a kink behavior at Ga(at.%)= 25 due to the weakened covalent effect between main-group and transition-metal atoms. Moreover, owing to the competition between covalence hybridization and magnetic ordering of introduced Mn atoms, the molecular magnetic moment and Curie temperature coincidently show maximums at Ga…
Heusler alloys exhibiting magnetic and martensitic transitions enable applications like magnetocaloric refrigeration and actuation based on the magnetic shape memory effect. Their outstanding functional properties depend on low hysteresis losses and low actuation fields. These are only achieved if the atomic positions deviate from a tetragonal lattice by periodic displacements. The origin of the so-called modulated structures is the subject of much controversy: They are either explained by phonon softening or adaptive nanotwinning. Here we used large-scale density functional theory calculation…
We predict the existence of a new ferromagnetic shape memory alloy Ga_2MnNi using density functional theory. The martensitic start temperature (T_M) is found to be approximately proportional to the stabilization energy of the martensitic phase (deltaE_tot) for different shape memory alloys. Experimental studies performed to verify the theoretical results show that Ga_2MnNi is ferromagnetic at room temperature and the T_M and T_C are 780K and 330K, respectively. Both from theory and experiment, the martensitic transition is found to be volume conserving that is indicative of shape memory behavi…
This work presents a three-dimensional constitutive model for the martensitic transformation in polycrystalline Shape Memory Alloys (SMAs) under large deformation. By utilizing the logarithmic strain and rate, the model is able to account for large strains and rotations that SMA-based components may undertake, but also resolves the artificial stress errors caused by the non-integrable objective rates that are widely used in current commercial finite element software. The model is developed through classical thermodynamic laws combined with the standard Coleman-Noll procedure. The scalar marten…
In an effort to produce Giant Magnetocaloric effect (GMCE) near room temperature, in a first ever such study, the austenite transformation temperature (As) was fine tuned to ferromagnetic Curie temperature (TC) in Ferromagnetic Shape Memory Alloys (FSMA) and a large GMCE of delta-SM = - 81.75 J/Kg-K was achieved in Ni50Mn18.5Cu6.5Ga25 alloy during reverse martensitic transformation (heating cycle) for a magnetic field change of 9 T at 302.5 K. Fine tuning of As with TC was achieved by Cu substitution in Ni50Mn25-xCuxGa25 (0< x < 7.0)-based FSMAs. Characterizations of these alloys were carried …
We have studied the phase volume fraction related magnetoresistance (MR) across the first order martensite transformation (MT) of Ni44Cu2Mn43In11 alloy. Within the metastability of MT, an isothermal application of magnetic field converts the martensite into austenite. The field induced austenite phase fraction (fIA) at any temperature depends on the availability and instability of martensite phase fraction (fM ) at that temperature. This fIA is found to contribute most significantly to the observed giant MR while the contribution from pure martensite and austenite phase fraction is negligible.…
Heusler alloys that undergo martensitic transformation in ferromagnetic state are of increasing scientific and technological interest. These alloys show large magnetic field induced strains upon martensitic phase change thus making it a potential candidate for magneto-mechanical actuation. The crystal structure of martensite is an important factor that affects both the magnetic anisotropy and mechanical properties of such materials. Moreover, the local chemical arrangement of constituent atoms is vital in determining the overall physical properties. Ni$_{50}$Mn$_{35}$In$_{15}$ is one such ferr…
A brief qualitative mapping is given between austenite, tweed and twinned phases of martensite alloys and corresponding paramagnetic, spin glass and periodic phases in spin glass alloys.
Stabilization of Martensite and Austenite Phases and Realization of Two-way Martensitic Transition in Co-Ni-Ga Ferromagnetic Shape Memory Alloy Nanoparticles
In this paper, we present temperature and field dependent neutron diffraction (ND) study to unravel the structural and the magnetic properties in Ni50Mn38Sb12 Heusler system. This alloy shows martensitic transition from high temperature austenite cubic phase to low temperature martensite orthorhombic phase on cooling. At 3 K, the lattice parameters and magnetic moments are found to be almost insensitive to field. Just below the martensitic transition temperature, the martensite phase fraction is found to be 85%. Upon applying the field, the austenite phase becomes dominant, and the field induc…
First-principles-based materials screening is systematically performed to discover new combinations of chemical elements possibly making shape-memory alloys (SMAs). The B2, D03, and L21 crystal structures are considered as the parent phases, and the 2H and 6M structures are considered as the martensitic phases. 3,384 binary and 3,243 ternary alloys (6,627 in total) with stoichiometric composition ratios are investigated by the materials screening in terms of energetic and dynamical stabilities of the martensitic phases as well as structural compatibility between the parent and the martensitic …
Ni-Mn-based metamagnetic shape-memory alloys exhibit a giant thermal response to magnetic fields and uniaxial stress which can be utilized in single caloric or multicaloric cooling concepts for energy-efficient and sustainable refrigeration. However, during cyclic operation these alloys suffer from structural and functional fatigue as a result of their high intrinsic brittleness. Here, we present based on Fe-doping of Ni-Mn-In a microstructure design strategy which simultaneously improves cyclic stability and maintains the excellent magnetocaloric and elastocaloric properties. Our results reve…
We report the effect of hydrostatic pressure on the magnetic and structural properties of the shape-memory Heusler alloy Ni50Mn35In15. Magnetization and x-ray diffraction experiments were performed at hydrostatic pressures up to 5 GPa using diamond anvil cells. Pressure stabilizes the martensitic phase, shifting the martensitic transition to higher temperatures and suppresses the ferromagnetic austenitic phase. Above ~3 GPa, where the martensitic-transition temperature approaches the Curie temperature in the austenite, the magnetization shows no indication of ferromagnetic ordering anymore. We…
The temperature dependencies of the resistivity and magnetization of a series of Ni2+XMn1-XGa (X = 0 - 0.09) alloys were investigated. Along with the anomalies associated with ferromagnetic and martensitic transitions, well-defined anomalies were observed at the temperature of premartensitic transformation. The premartensitic phase existing in a temperature range 200 - 260 K in the stoichiometric Ni2MnGa is suppressed by the martensitic phase with increasing Ni content and vanishes in Ni2.09Mn0.91Ga composition.
The summary of the models offered by the author revealing features of the physical mechanisms controlling processes of martensite crystal formation is resulted. The rapid growth of a cooling martensite crystal is considered as a self-organized process controlled by the quasi-longitudinal lattice displacement waves (DW). It is shown, that processes of the heterogeneous nucleation and wave growth have the genetic connection in case of spontaneous fcc-bcc martensitic transformation. The exposition of strain martensite formation is considered in the context of a cryston model.
Reversible martensitic transformations (MTs) are the origin of many fascinating phenomena, including the famous shape memory effect. In this work, we present a fully ab initio procedure to characterize MTs in alloys and to assess their reversibility. Specifically, we employ ab initio molecular dynamics data to parametrize a Landau expansion for the free energy of the MT. This analytical expansion makes it possible to determine the stability of the high- and low-temperature phases, to obtain the Ehrenfest order of the MT, and to quantify its free energy barrier and latent heat. We apply our mod…
Shape memory alloys (SMAs) exhibit hysteresis behaviors upon stress and temperature induced loadings. In this contribution, we focus on numerical simulations of microstructure evolution of cubic-to-tetragonal martensitic phase transformations in SMAs in 3D settings under the dynamic loading conditions. A phase-field (PF) model has been developed to capture coupled dynamic thermo-mechanical behavior of such SMA structures and the system of governing equations have been solved numerically using the isogeometric analysis. Temperature induced reverse and forward transformations have been applied t…
Ni$_2$Mn$_{2-y}$In$_y$ alloys transform from the martensitic $L1_0$ antiferromagnetic ground state near $y = 0$ to austenitic ferromagnetic $L2_1$ Heusler phase near $y = 1$ due to doping of In impurity for Mn. The off stoichiometric alloys prepared by rapid quenching are structurally metastable and dissociate into a mixture of $L2_1$ (Ni$_2$MnIn) and $L1_0$ (NiMn) phases upon temper annealing. Despite this structural disintegration, the martensitic transformation temperature remains invariant in the temper annealed alloys. Investigations of the local structure of the constituent atoms reveal …
Magnetic, transport, and x-ray diffraction measurements of ferromagnetic shape memory alloy Ni$_{2.16}$Mn$_{0.84}$Ga revealed that this alloy undergoes an intermartensitic transition upon cooling, whereas no such a transition is observed upon subsequent heating. The difference in the modulation of the martensite forming upon cooling from the high-temperature austenitic state [5-layered (5M) martensite], and the martensite forming upon the intermartensitic transition [7-layered (7M) martensite] strongly affects the magnetic and transport properties of the alloy and results in a large thermal hy…
The crystal structures, martensitic structural transitions and magnetic properties of MnCo1-xFexSi (0 <= x <= 0.50) alloys were studied by differential scanning calorimetry (DSC), x-ray powder diffraction (XRD) and magnetic measurements. In high-temperature paramagnetic state, the alloys undergo a martensitic structural transitions from the Ni2In-type hexagonal parent phase to the TiNiSi-type orthorhombic martensite. Both the martensitic transition temperature (TM) and Curie temperatures of martensite (T_C^M) decrease with increasing Fe content. The introduced Fe atoms establish ferromagnetic …
Martensitic and magnetic properties of ferromagnetic shape memory alloys are known to depend up on structural modulations and associated changes in the Fermi surface. These modulations although periodic and spanning over multiple unit cells, involve movement of atoms typically of the order of 0.01A. Therefore X-ray Absorption Fine Structure (XAFS) is an ideal tool to map both, local atomic movements and changes in density of states (DOS) due to changing hybridization as the system transforms from austenitic to martensitic phase. This paper presents a compilation of our XAFS studies on the Ni-M…
While most phase transformations, e.g. ferroelectric or ferromagnetic, can be first or second order depending on external applied fields, martensitic transformations in metallic alloys are nearly universally first order. We demonstrate that epitaxial stress originating from the incorporation of a tailored second phase can modify the free energy landscape that governs the phase transition and change its order from first to second. High-fidelity molecular dynamics simulations show a remarkable change in the character of the martensitic transformation in Ni-Al alloys near the critical point. We o…
Finely Tunable Thermal Expansion of NiTi by Stress-Induced Martensitic Transformation and Thermomechanical Training
Korea Advanced Institute of Science and Technology（韩国科学技术院）；Massachusetts Institute of Technology（麻省理工学院）；Korea University（高丽大学）；Inha University（仁荷大学）；University of Stuttgart（斯图加特大学）
A series of first principles calculations have been carried out in order to discuss electronic structure, phonon dynamics, structural instabilities and the nature of martensitic transformations of the Heusler alloys Ni$_2$Mn(Ga, Ge, Al) and Co$_2$Mn(Ga, Ge). The calculations show that besides electronic pecularities like Fermi--surface nesting, hybridizing optical and acoustic phonon modes are important for the stabilization of the modulated martensitic structures.
Mn-Ni-Si precipitates (MNSPs) are known to be responsible for irradiation-induced hardening and embrittlement in structural alloys used in nuclear reactors. Studies have shown that precipitation of the MNSPs in 9-Cr ferritic-martensitic (F-M) alloys, such as T91, is strongly associated with heterogeneous nucleation on dislocations, coupled with radiation-induced solute segregation to these sinks. Therefore it is important to develop advanced predictive models for Mn-Ni-Si precipitation in F-M alloys under irradiation based on an understanding of the underlying mechanisms. Here we use a cluster…
Shape Memory Alloys (SMAs) are materials with the ability to recover apparently permanent deformation under specific thermomechanical loading. The majority of constitutive models for SMAs are developed based on the infinitesimal strain theory. However, such assumption may not be proper in the presence of geometric discontinuities, such as cracks, and repeated cycling loading that has been reported to induce irrecoverable strains up to 20% due to transformation induced plasticity. In addition to finite strains, SMA-based devices may also undergo large rotations. Thus, it is indispensable to dev…
$Ni_{50-x}Co_{x}Mn_{40}Sn_{10}$ shape memory alloys in the approximate range $5 \le x \le 10$ display desirable properties for applications as well as intriguing magnetism. These off-stoichiometric Heusler alloys undergo a martensitic phase transformation at a temperature $T_{M}$ of 300 - 400 K, from ferromagnetic (F) to nonferromagnetic, with unusually low thermal hysteresis and a large change in magnetization. The low temperature magnetic structures in the martensitic phase of such alloys, which are distinctly inhomogeneous, are of great interest but are not well understood. Our present use …
