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At least 55 records · Page 3

Role of nanoscale coherent precipitates on the thermo-mechanical response of martensitic materials (Final Report)

Coherent second phases can have a profound effect on the properties and performance of martensitic materials, and we lack a comprehensive, mechanistic understanding of the underlying processes. This limits our ability to rationally design second phases to tailor the response of martensitic materials. To address this situation, this project sought to develop a mechanistic, predictive understanding of the thermal and mechanical response of martensitic materials with nanoscale coherent heterogeneities. A synergistic combination of atomistic simulations and experiments was used to relate the local properties of each phase (in particular, their free energy landscape) and the material nanostructure (volume fraction, shape and size of second phase precipitates, and defects that may disrupt coherency) to the overall materials response. The focus was on second phases expected to induce phenomena or properties not otherwise achievable: second order martensitic transformation in SMAs, ultra-low stiffness, increased control of transition temperatures, and fatigue resistance.

36 MATERIALS SCIENCE↗

Ab Initio Simulations of Temperature Dependent Phase Stability and Martensitic Transitions in NiTi

For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. In particular, we show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing these phase transformations is discussed.

nickel titanium↗

Ab Initio Simulations of Phase Stability and Martensitic Transitions in NiTi

For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. We show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing phase transformation temperatures is discussed.

Simulations↗

Influence of Microstructural Features on Austenite-Martensite Interfaces in NiTi Shape Memory Alloys

Shape memory alloys (SMAs) exhibit several unique thermomechanical properties due to a reversible martensitic phase transformation. A key aspect of this transformation is the austenite-martensite interface. Here we present a molecular dynamics (MD) simulation methodology to study the atomic-scale features of austenite-martensite interface migration under near-equilibrium conditions. In single crystals, the interfaces migrate rapidly with only a small thermodynamic driving force. In polycrystals, however, interface migration is significantly impeded due to the change in orientation relationship at grain boundaries and the stored elastic energy resulting from microstructural constraints. This behavior can be linked to several mechanisms associated with transformation width and hysteresis in SMAs, properties of great importance for applications involving actuation. Additionally, we will present preliminary MD simulation results on the influence of precipitates on the formation and migration of austenite-martensite interfaces.

Gabriel Plummer↗

Influence of Microstructural Features on Austenite-Martensite Interfaces in NiTi Shape Memory Alloys

Shape memory alloys (SMAs) exhibit several unique thermomechanical properties due to a reversible martensitic phase transformation. A key aspect of this transformation is the austenite-martensite interface. Here we present a molecular dynamics (MD) simulation methodology to study the atomic-scale features of austenite-martensite interface migration under near-equilibrium conditions. In single crystals, the interfaces migrate rapidly with only a small thermodynamic driving force. In polycrystals, however, interface migration is significantly impeded due to the change in orientation relationship at grain boundaries and the stored elastic energy resulting from microstructural constraints. This behavior can be linked to several mechanisms associated with transformation width and hysteresis in SMAs, properties of great importance for applications involving actuation. Additionally, we will present preliminary MD simulation results on the influence of precipitates on the formation and migration of austenite-martensite interfaces.

Gabriel Plummer↗

Resolving the Martensitic Transformation in Q&P Steels In-Situ at Dynamic Strain Rates Using Synchrotron X-ray Diffraction

Herein the dynamic deformation response of two quenching and partitioning (Q&P) steels was investigated using a high strain rate tension pressure bar and in-situ synchrotron radiography and diffraction. This allowed for concurrent measurements of the martensitic transformation, the elastic strains/stresses on the martensite and ferrite, and the bulk mechanical behavior. The steel with the greater fraction of ferrite exhibited greater ductility and lower strength, suggesting that dislocation slip in ferrite enhanced the deformability. Meanwhile, the kinetics of the martensitic transformation appeared similar for both steels, although the steel with a greater ferrite fraction retained more austenite in the neck after fracture.

36 MATERIALS SCIENCE↗

Creep-Resistant Ferritic-Martensitic Steels for Power Plant Applications

Creep-resistant ferritic-martensitic steels are essential materials used in power plants for electricity generation. The efficiency and emissions of the plant are closely related to the operating temperature. Materials used in the hottest sections are one of the main limiting factor for plant operation at 650 °C. This review describes the recent development of creep-resistant ferritic-martensitic steels from a large dataset of in-house research. The findings are tied to available literature for discussion. A first steel, CPJ-7, was developed with an operating temperature approaching 650 °C, and a refined design, JMP, showed the potential to operate at 650 °C. Approximately fifty different ingots, each weighing ~ 7 kg, were vacuum induction melted and processed. Overall, wrought and cast versions of CPJ-7 present superior creep properties when compared to wrought and cast versions of COST alloys for steam turbine and P91/92 for boiler applications. The prolonged creep life was attributed to slowing down the process of the destabilization of the MX and M 23 C 6 precipitates at 650 °C. The cast version of CPJ-7 also revealed superior mechanical performance, above commercially available cast 9% Cr martensitic steel or derivatives. Following the work on CPJ-7, the JMP steels were designed with higher Co for increased solid solution strengthening, Si for oxidation resistance and increased W for matrix strength and stability. The JMP steels showed increases in creep life compared to CPJ-7 between 118 and 150% at 650 °C for testing at various stresses between 138 and 207 MPa. On a Larson–Miller plot, the performance of the JMP steels surpasses that of state-of-the-art MARBN steel. The influence of various elements within the composition of the alloys on the microstructure and mechanical properties is discussed. This review presents approximately 420,000 h of in-house creep testing, the equivalent of almost 50 years of cumulative creep tests.

36 MATERIALS SCIENCE↗

Crystallographic stability of the BCC phase during quenching of metastable beta titanium alloy Ti-5553 and comparison of structural criteria for the predictive capability of α” martensite

This work evaluates the compositional standard currently developed for Ti-5553 powder and explores the metastable β region for sensitivity to martensitic formation during rapid quenching from the melt. Ti-5553 is a beta-stabilized titanium alloy that is increasingly being used in additive manufacturing applications. A series of alloys within the Ti-5553 compositional space was processed using two-piston spat quenching to perform rapid solidification and quenching for each of these alloy compositions. Typical empirical models such as molybdenum equivalency are not able to fully separate the retained BCC and martensitic compositions. Further, the use of thermodynamic data to estimate the transformation energy needed to form martensite can differentiate the alloys and provide a metric to further develop compositional limits for metastable beta titanium alloy development.

36 MATERIALS SCIENCE↗

Creep of MARBN-type 9Cr martensitic steel in gaseous CO 2 environment

Here, with an interest in moving from steam to supercritical CO 2 as the working fluid in advanced energy systems, it is important to study the mechanical response of structural alloys to CO 2 -containing environments. MARBN-type 9Cr martensitic steel was originally developed for application in boilers for supercritical and ultra-supercritical power plants where the steam temperature reaches 650 °C. In this research, a MARBN-type 9Cr martensitic steel designed and manufactured at NETL was creep tested in a gaseous CO 2 environment (i.e., 0.1 MPa at 650 °C), and the results are directly compared to creep tests conducted in air. It was found that environmentally-assisted cracking facilitated by carbide formation beneath the growing oxide accelerated failure in gaseous CO 2 . This work indicates that creep-oxidation interactions in advanced martensitic steels represent an important consideration for materials selection in supercritical CO 2 power cycles. Furthermore, this work confirms that more oxidation-resistant alloys will be required for the highest temperature portions of these systems.

36 MATERIALS SCIENCE↗

In-situ neutron diffraction investigation of two-stage martensitic transformation in a 13%Mn steel with serrated deformation

Two stage austenite →ε-martensite →α-martensite phase transformation, phase-specific lattice strain evolution and load sharing during tensile deformation of a 13%Mn hot-rolled austenitic steel are revealed by in-situ neutron diffraction. In conclusion, direct evidence is provided that serrated deformation behavior is attributed to discontinuous martensitic transformation.

Austenitic steel↗

Development of Novel Ferritic-Martensitic Steels with Superior Creep Properties for Power Plant Applications

A creep resistant martensitic steel, CPJ-7, was developed with an operating temperature approaching 650°C. Subsequently, another creep resistant martensitic steel, JMP, was designed with the potential to operate at, or slightly above, 650°C. This report describes the development of these alloys from early iterations of CPJ steels to the final CPJ-7 formulation as well as the more heat resistant JMP steel formulation. The design originated from computational modeling for phase stability and precipitate strengthening using fifteen constituent elements. Approximately forty heats of CPJ and ten of JMP, each weighing ~7 kg, were vacuum induction melted. A computationally optimized heat treatment schedule was developed to homogenize the ingots prior to hot forging and rolling prior to final normalization and tempering. Overall, wrought and cast versions of CPJ-7 present superior creep properties when compared to wrought and cast versions of COST alloys for steam turbine and wrought and cast versions of P91/92 for boiler applications. For instance, the Larson Miller Parameter curve for CPJ-7 at 650°C almost coincides with that of COST E at 620°C. The prolonged creep life was attributed to slowing down the process of the destabilization of the MX and M 23 C 6 precipitates at 650°C. On the other hand, the cast version of CPJ-7 also revealed superior mechanical performance, well above commercially available cast 9% Cr martensitic steel or derivatives, especially for creep life at 650°C. The casting process employed slow cooling to simulate the conditions of a thick wall full-size steam turbine casing but utilized a separate homogenization step prior to final normalization and tempering. To advance the development of CPJ-7 for commercial applications, a process was used to scale up the production of the alloy using vacuum induction melting (VIM) and electroslag remelting (ESR), which underlined the importance of melt processing control of intentionally designed minor and trace elements in these advanced alloys. Following the work on CPJ-7, the JMP steels were designed with higher Co for increased solid solution strengthening, Si for oxidation resistance and increased W (with low Mo content) for matrix strength and stability as well as solid solution strengthening. The JMP steels showed increases in creep life compared to CPJ-7 between 118 to 150% at 650°C for testing at various stresses between 138 MPa and 207 MPa. On a Larson-Miller plot, the performance of the JMP steels surpasses that of state-of-the-art MARBN and other MARBN-type steels. The influence of various elements within the composition of the alloys on the microstructure and mechanical properties are discussed. This report presents approximately 420,000 h of in-house creep testing, the equivalent of almost 50 years of cumulative creep tests.

36 MATERIALS SCIENCE↗

Austenite formation and cementite dissolution during intercritical annealing of a medium-manganese steel from a martensitic condition

In the present study, in situ high-energy X-ray diffraction (HEXRD), dilatometry, and metallography were conducted for the purpose of understanding microstructure evolution during intercritical annealing of a Fe-0.19C-4.39Mn steel from a martensitic initial condition. Three different simulations for austenite growth and solute partitioning during isothermal holding were conducted using the DICTRA™ module of Thermo-Calc®. The microstructures after intercritical annealing exhibit film-like retained austenite; however, in situ HEXRD indicates that retained austenite in the initial martensitic microstructure had decomposed upon heating to the isothermal holding temperature, suggesting that film-like austenite may be generated during intercritical annealing via nucleation and growth of new austenite and without necessarily preserving initial retained austenite films in the martensitic microstructure. Metallography and in situ HEXRD also indicate that cementite had formed upon heating but did not readily dissolve during an 1800 s isothermal hold although considerable growth of austenite had occurred during the isothermal hold, suggesting that austenite nucleation and initial growth during intercritical annealing does not solely occur due to carbon partitioning. A simulation incorporating cementite suggests that the increase in austenite fraction during intercritical annealing initially occurs in association with Mn partitioning followed by austenite growth induced by gradual cementite dissolution.

36 MATERIALS SCIENCE↗

Microstructure and mechanical properties of high Mn-containing ferritic-martensitic alloys exposed to cyclical thermal treatment

Substantial residual tensile stress tends to accumulate in currently available high-Cr ferritic martensitic steels that are subjected to cyclical heat treatment, which leads to premature brittle fracture. By tailoring the alloy composition, this thermal cycling can be exploited to induce a high number density of nanoprecipitates and phase transformations countering residual tensile stresses. In this work, three new variants of ferritic-martensitic steels have been designed with computational thermodynamics to meet the goals of mitigating residual tensile stresses by lowering martensite start temperatures and of enhancing mechanical strength and irradiation sink strength by increasing the number density of nanoprecipitates. Furthermore, ctenast materials were subjected to cyclical heat treatment. The thermally cycled samples were evaluated with mechanical testing and microstructural analysis to identify the optimal composition in which figures of merit include low residual stress and a high density of nanoscale MX (M = metal, X = C/N) precipitates, leading to high yield strength with reasonable ductility. The noticeably higher density of nanoprecipitates in the optimal alloy favor its higher yield strength, which is supported by the microstructure-derived yield strength calculation and precipitation kinetics simulation.

36 MATERIALS SCIENCE↗

Two-step deformation-induced martensitic transformation in additively manufactured High-Si stainless steel

Deformation-induced phase transformation in the additively manufactured (AM) Fe–18Cr–8Ni-5.5Si (in wt.%) alloy was analyzed using the in-situ electron backscattered diffraction (EBSD) record during uniaxial tensile testing in a scanning electron microscope (SEM). Analysis of EBSD data was focused to investigate phase transformation behavior during deformation with consideration of mechanical interactions among phases and grains in the ultrafine AM microstructure. The initial EBSD phase map illustrated that the as-built microstructure was a duplex structure consisting of major austenite (γ) and minor ferrite phases, some of which showed non-traditional orientation relationship since the rapid solidification in the AM process has produced non-equilibrium state in phase formation. In the deformed as-built AM alloy, the two-step martensitic transformation (γ→ε→α´) was identified as the main deformation-induced transformation mechanism. Martensitic transformation steps were found to be associated with glides of Shockley partial dislocations on closed packed (111) planes under the influence of atomic disturbance in the γ and ε phases, respectively. Using the closed-packed plane pole figures and unit cell orientations, their evolutions and mechanisms accompanying with the transformation were analyzed. Finally, the results indicate that one variant of ε-martensite forms from their parent γ phase, while two variants of α´ form from their parent ε phase.

36 MATERIALS SCIENCE↗

Uncharacteristic second order martensitic transformation in metals via epitaxial stress fields

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 observe the continuous evolution of the transformation order parameter and scaling with power-law exponents comparable to those in other ferroic transitions exhibiting critical behavior. Our theoretical work provides a foundation for recent experimental and computational results on martensites near critical points.

36 MATERIALS SCIENCE↗

Magnetic field dependence of the martensitic transition and magnetocaloric effects in Ni 49 BiMn 35 In 15

The structural, magnetic, and magnetocaloric properties of the Bi-doped Heusler alloy Ni 49 BiMn 35 In 15 have been investigated using room temperature X-ray diffraction (XRD) and magnetization measurements in a temperature interval of 5-400 K. The alloy at room temperature was found to be in a mixture of a high temperature austenite phase (AP) and a low temperature martensite phase (MP). A drastic shift in the martensitic transition temperature at the rate of 16 K/T from 197 K to lower temperatures was observed. A kinetic arrest phenomenon of the AP was observed in the magnetization and electrical resistivity measurements during field-cooled (FC) measurements at 5T. A metamagnetic behavior characterized by a jump in magnetization in the isothermal M ( H ) curves near T M was observed. The maximum value of the magnetic entropy change and refrigerant capacity at Curie temperature were found to be 5.5 Jkg -1 K -1 and 312 Jkg -1 for μ o Δ H = 5T, respectively. A large magnetoresistance value of -56% was found near the martensitic transition.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Formation of hierarchically structured martensites in pure iron with ultrahigh strength and stiffness

Strong steels are primarily fabricated by introducing spatial obstacles (e.g., stacking faults and precipitates) that inhibit dislocation slips under stress to achieve high strength. However, for most low-carbon steels, such obstacles are difficult to form mainly because the martensitic transition is kinetically unfavorable by conventional methods, which precludes the attainment of high-strength materials in these steels with low solute contents. Here, we report an innovative high-pressure preparation of martensitic pure Fe with involving nano-effect, which leads to the formation of ultrastrong bulk iron with exceptionally high yield strength, ultimate strength, and hardness of 2.9 GPa, 3.7 GPa, and 9.0 GPa, respectively, exceeding those of high-speed steels. Such extraordinary mechanical properties are closely attributed to its high-density martensites with unique multiscale hierarchical structures formed due to complex phase transitions under pressure.

Science & Technology - Other Topics↗

Nondissipative Martensitic Phase Transformation after Multimillion Superelastic Cycles

Superelastic alloys used for stents, biomedical implants, and solid-state cooling devices rely on their reversible stress-induced martensitic transformations. These applications require the alloy to sustain high deformability over millions of cycles without failure. Here, we report an alloy capable of enduring 10 × 10 7 tensile stress-induced phase transformations while still exhibiting over 2% recoverable elastic strains. After millions of cycles, the alloy is highly reversible with zero stress hysteresis. We show that the major martensite variant is reversible even after multimillions of cycles under tensile loadings with a highly coherent $(1\bar{1}0)_A$ interface. Finally, this discovery provides new insights into martensitic transformation, and may guide the development of superelastic alloys for multimillion cycling applications.

36 MATERIALS SCIENCE↗